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US20030130506A1_p0003_x0392_y2374_c00002
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null
null
null
US20070155803A1_p0021_x0379_y0950_c00038
0441.cdx ChemDraw05240722212D 38 40 0 0 0 0 0 0 0 0999 V2000 -4.6441 0.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.3424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 4.0549 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -3.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -4.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 -4.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -3.3405 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 3 5 1 0 2 6 1 6 6 7 1 0 5 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 6 15 17 1 0 17 18 1 0 17 19 1 1 18 20 2 0 18 21 1 0 19 22 1 0 23 22 1 0 22 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 23 2 0 28 27 1 0 16 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 29 1 0 31 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 32 1 0 M END
CC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O
[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O]
InChI=1S/C27H31FN6O4/c1-2-21(29)25(36)33-34-27(38)32-23(15-17-10-11-18-7-3-4-8-19(18)12-17)26(37)31-22(24(30)35)14-16-6-5-9-20(28)13-16/h3-13,21-23H,2,14-15,29H2,1H3,(H2,30,35)(H,31,37)(H,33,36)(H2,32,34,38)/t21-,22-,23-/m0/s1
US20070049758A1_p0027_x0469_y1136_c00055
0042.cdx ChemDraw01140703132D 27 28 0 0 0 0 0 0 0 0999 V2000 -2.8579 1.0313 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 -2.1434 -0.2062 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 -1.4289 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 -3.5724 -0.2062 0.0000 O 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 -2.1434 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.6812 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 -2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.4437 0.0000 O 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 N 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 1.4289 1.0313 0.0000 N 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 0.7145 2.2687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.4437 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 2.2687 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 2 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 3 12 1 0 12 13 3 0 13 14 1 0 5 15 1 0 15 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 21 22 1 0 19 23 1 0 23 24 1 0 25 26 1 0 26 24 1 0 25 27 1 0 M END
C#Cc1cc(Oc2cnc(NCCCO)nc2N)c(C(C)C)cc1OC
[C][#C][C][=C][C][Branch2][Ring1][C][O][C][=C][N][=C][Branch1][=Branch1][N][C][C][C][O][N][=C][Ring1][O][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1][O][C]
InChI=1S/C19H24N4O3/c1-5-13-9-16(14(12(2)3)10-15(13)25-4)26-17-11-22-19(23-18(17)20)21-7-6-8-24/h1,9-12,24H,6-8H2,2-4H3,(H3,20,21,22,23)
US20050267177A1_p0034_x0350_y0702_c00126
1100.cdx ChemDraw11010514332D 36 39 0 0 0 0 0 0 0 0999 V2000 -0.4715 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4715 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 3.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3864 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 3.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 3.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1785 -1.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -1.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 -0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3984 1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 1.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4039 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 0.6791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8109 2.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 -2.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 -3.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 -2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2443 -2.8751 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 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 8 20 1 0 20 27 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 21 30 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 27 1 0 32 28 1 0 2 8 1 1 4 7 1 1 25 33 1 0 34 33 1 0 24 35 1 0 35 36 1 0 M END
COc1ccc(-c2nc(CO[C@H]3CCC[C@@H](OCc4cccc(C)c4C(=O)O)C3)c(C)o2)cc1OC
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=N][C][Branch2][Ring1][P][C][O][C@H1][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=C][Branch1][C][C][O][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][O][C]
InChI=1S/C28H33NO7/c1-17-7-5-8-20(26(17)28(30)31)15-34-21-9-6-10-22(14-21)35-16-23-18(2)36-27(29-23)19-11-12-24(32-3)25(13-19)33-4/h5,7-8,11-13,21-22H,6,9-10,14-16H2,1-4H3,(H,30,31)/t21-,22+/m1/s1
US20040229890A1_p0016_x1503_y1605_c00073
0372.cdx ChemDraw10200413292D 23 26 0 0 0 0 0 0 0 0999 V2000 -0.6348 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 0.3337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.9038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 -0.9038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 1.5712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 0.8858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2512 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -1.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -0.6488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 1.6002 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 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 5 11 1 0 3 12 1 0 9 13 1 0 13 14 1 0 14 15 2 0 15 10 1 0 8 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 1 0 12 21 1 0 13 22 1 0 22 23 1 0 M END
CCn1ccc2c3c(NC)nc(N)nc3cc(-c3cccs3)c21
[C][C][N][C][=C][C][=C][C][Branch1][Ring1][N][C][=N][C][Branch1][C][N][=N][C][Ring1][=Branch2][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1]
InChI=1S/C17H17N5S/c1-3-22-7-6-10-14-12(20-17(18)21-16(14)19-2)9-11(15(10)22)13-5-4-8-23-13/h4-9H,3H2,1-2H3,(H3,18,19,20,21)
US20070105909A1_p0020_x0502_y0806_c00032
0342.cdx ChemDraw03260715332D 20 23 0 0 0 0 0 0 0 0999 V2000 -1.1281 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1177 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 -0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -0.5351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 -0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -0.9599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 -0.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1177 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 1.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 1.9144 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 3 0 3 14 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 9 1 0 9 14 1 0 13 15 1 0 10 16 1 0 16 17 1 0 17 18 1 0 18 16 1 0 15 19 1 0 19 20 1 0 20 15 1 0 M END
N#Cc1ccc(Oc2c(C3CC3)n[nH]c2C2CC2)cc1
[N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][C][=Ring1][Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C]
InChI=1S/C16H15N3O/c17-9-10-1-7-13(8-2-10)20-16-14(11-3-4-11)18-19-15(16)12-5-6-12/h1-2,7-8,11-12H,3-6H2,(H,18,19)
US20050288357A1_p0047_x1475_y0848_c00085
0900.cdx ChemDraw11280510302D 29 31 0 0 0 0 0 0 0 0999 V2000 -2.9515 -0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1265 -0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 0.2265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 1.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4426 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 2.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 1.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4765 -1.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -1.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -2.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -1.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 -0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -1.9870 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 1 0 4 6 2 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 13 1 0 13 14 2 0 14 9 1 0 12 15 1 0 15 16 2 0 15 17 1 0 2 18 1 1 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 6 21 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 25 29 1 0 M END
Cc1cccc(C[C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)O)cc2)c1
[C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][C@H1][Branch1][C][O][C][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][N]
InChI=1S/C24H29NO4/c1-17-3-2-4-19(15-17)16-22(26)11-9-21-10-12-23(27)25(21)14-13-18-5-7-20(8-6-18)24(28)29/h2-8,15,21-22,26H,9-14,16H2,1H3,(H,28,29)/t21-,22+/m0/s1
US20070105909A1_p0024_x0521_y1171_c00057
0382.cdx ChemDraw03260715352D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.4232 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2201 -0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 -0.5584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9368 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 0.0946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 0.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 1.4045 0.0000 R4 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -1.4045 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 0.9674 0.5071 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 1 7 1 0 7 8 3 0 4 16 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 12 14 1 0 9 15 1 0 13 16 1 0 M END
[3*]c1[nH]nc([4*])c1Oc1ccc(C#N)cc1
null
US20040229890A1_p0013_x0327_y2015_c00056
0300.cdx ChemDraw10130408242D 44 48 0 0 0 0 0 0 0 0999 V2000 -4.4048 -0.3196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4048 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -1.5128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 -1.5128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 0.8736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 0.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 0.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 0.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -2.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 -2.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 -2.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 -1.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -2.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -3.1037 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -2.0171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 -3.3948 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 2.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4048 1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 2.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 1.8039 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 1.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 2.9971 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 3.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 3.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 2.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2613 0.4262 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 2 11 1 0 6 12 1 0 12 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 16 10 1 0 8 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 18 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 44 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 30 1 0 12 36 1 0 33 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 14 44 1 0 M END
CN(C)c1nc(N)nc2cc(-c3ccccc3C(F)(F)F)c3c(ccn3CCOCc3ccc(C(F)(F)P(=O)(O)O)cc3)c12
[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch2][Ring2][Ring1][C][=C][N][Ring1][Branch1][C][C][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][=C][Ring2][Ring2][=Branch2][Ring2][Ring2][Ring2]
InChI=1S/C29H27F5N5O4P/c1-38(2)26-24-20-11-12-39(13-14-43-16-17-7-9-18(10-8-17)29(33,34)44(40,41)42)25(20)21(15-23(24)36-27(35)37-26)19-5-3-4-6-22(19)28(30,31)32/h3-12,15H,13-14,16H2,1-2H3,(H2,35,36,37)(H2,40,41,42)
US20060154945A1_p0012_x0402_y0712_c00032
0260.cdx ChemDraw05240615042D 19 22 0 0 0 0 0 0 0 0999 V2000 -3.0653 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7578 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6336 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7578 0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -0.3869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2562 -0.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 -0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 -0.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 -0.8283 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 3 1 0 2 6 1 0 2 4 1 0 3 4 1 0 5 6 1 0 4 10 1 0 5 7 1 0 10 7 1 1 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 9 1 0 9 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 1 0 17 19 1 0 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Br)o1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1]
InChI=1S/C13H15BrN2O3/c14-10-1-2-11(18-10)16-8-13(19-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1
US20040266789A1_p0041_x1300_y0897_c00068
1240.cdx ChemDraw11280401342D 40 44 0 0 0 0 0 0 0 0999 V2000 -2.4773 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2855 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 -1.3761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -0.6880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 -0.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1803 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9005 -0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -0.3290 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8646 0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 -0.9576 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 7 2 0 10 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 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 1 24 25 1 0 25 26 2 0 23 27 2 0 23 28 1 0 25 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 5 34 1 0 34 35 2 0 35 36 1 0 36 6 1 0 34 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 35 1 0 M END
CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1)C(=O)O
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
InChI=1S/C33H31NO4S2/c1-33(2,3)38-32(37)34-28(31(35)36)20-39-19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-29(26)40-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,34,37)(H,35,36)/t28-/m0/s1
US20070117785A1_p0056_x0335_y1768_c00101
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Cn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(Cl)c(Cl)c4)c4c3CCN(C(N)=O)C4)CC2)c2ccccc21
[C][N][C][=Branch1][C][=O][N][Branch2][Branch1][Ring2][C][C][C][N][Branch2][Ring2][Branch2][C][C][C][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][=N][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][C][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][#Branch1]
InChI=1S/C29H33Cl2N7O2/c1-34-25-5-2-3-6-26(25)38(29(34)40)20-9-14-35(15-10-20)12-4-13-37-24-11-16-36(28(32)39)18-21(24)27(33-37)19-7-8-22(30)23(31)17-19/h2-3,5-8,17,20H,4,9-16,18H2,1H3,(H2,32,39)
US20040266789A1_p0034_x1301_y1397_c00058
1020.cdx ChemDraw11280401192D 45 50 0 0 0 0 0 0 0 0999 V2000 -3.9356 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6293 2.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3231 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3231 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6293 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3403 0.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8677 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2656 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 1.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 1.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0951 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3024 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 2.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 2.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 1.7331 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 1.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7566 1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3231 1.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 0.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 0.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 2.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 -0.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 -2.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 -1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1346 -0.7400 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 8 9 2 0 9 1 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 9 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 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 32 35 1 1 35 36 1 0 36 37 2 0 33 38 2 0 36 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 40 1 0 M END
O=C(Cc1ccccc1)N[C@@H](CSCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)C(=O)O
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch2][Branch1][Ring2][C][S][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O]
InChI=1S/C39H33NO4S/c41-37(24-28-11-5-2-6-12-28)40-34(39(42)43)26-45-25-29-15-17-30(18-16-29)31-19-21-32(22-20-31)38-33-13-7-8-14-35(33)44-36(38)23-27-9-3-1-4-10-27/h1-22,34H,23-26H2,(H,40,41)(H,42,43)/t34-/m0/s1
US20070105909A1_p0025_x0500_y2761_c00061
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Cc1cc(O/C(=C/N(C)C)C(=O)C2CC2)cc(C)c1C#N
[C][C][=C][C][Branch2][Ring1][Ring2][O][/C][=Branch1][#Branch1][=C][/N][Branch1][C][C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][C][#N]
InChI=1S/C17H20N2O2/c1-11-7-14(8-12(2)15(11)9-18)21-16(10-19(3)4)17(20)13-5-6-13/h7-8,10,13H,5-6H2,1-4H3/b16-10+
US20070270434A1_p0020_x0402_y2697_c00050
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C[C@@H]1CN(CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1
[C][C@@H1][C][N][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Ring2]
InChI=1S/C15H21F3N2O/c1-11-9-20(10-12(2)19-11)8-7-13-3-5-14(6-4-13)21-15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+
US20060122222A1_p0033_x0417_y0814_c00092
0930.cdx ChemDraw04260609512D 38 43 0 0 0 0 0 0 0 0999 V2000 -1.5127 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5927 1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 0.5314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2578 1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 2.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6967 2.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3996 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 2.8258 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 3.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 2.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 3.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 1.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -3.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 -2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 -1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6471 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -1.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8187 -0.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7952 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 0.0295 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 9 1 0 9 3 2 0 7 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 4 14 1 0 14 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 15 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 15 1 0 23 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 30 32 1 0 32 33 2 0 33 34 1 0 34 31 1 0 32 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 33 1 0 M END
COC(=O)CCC(=O)c1cn(Cc2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(Cl)cc12
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][P][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][=C][Ring1][#Branch1]
InChI=1S/C32H24ClNO4/c1-37-31(36)16-15-29(35)27-19-34(28-14-13-22(33)17-26(27)28)18-20-9-11-21(12-10-20)23-6-4-7-25-24-5-2-3-8-30(24)38-32(23)25/h2-14,17,19H,15-16,18H2,1H3
US20070265270A1_p0028_x1520_y0683_c00112
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COc1cc2nncc(-n3ncc4c(-c5ccncc5)cccc43)c2cc1OC
[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][N][Ring1][#C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
InChI=1S/C22H17N5O2/c1-28-21-10-16-18(11-22(21)29-2)26-24-13-20(16)27-19-5-3-4-15(17(19)12-25-27)14-6-8-23-9-7-14/h3-13H,1-2H3
US20070270434A1_p0016_x1376_y0994_c00032
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C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
InChI=1S/C24H27F3N2O5S/c1-15-12-28(14-17-5-3-7-20(9-17)34-24(25,26)27)13-16(2)29(15)35(32,33)22-8-4-6-18-10-19(23(30)31)11-21(18)22/h3-9,15-16,19H,10-14H2,1-2H3,(H,30,31)/t15-,16+,19?
US20050004369A1_p0035_x0443_y1132_c00072
0021.cdx ChemDraw12100415162D 35 39 0 0 0 0 0 0 0 0999 V2000 -1.2507 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4882 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8382 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -0.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 -1.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1357 2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3493 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7659 1.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 1.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7555 2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3389 2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1959 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0243 -2.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2397 -2.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6266 -2.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 -1.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 -2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9368 -2.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -2.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -1.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 -0.6011 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 6 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 7 1 0 14 24 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 18 2 0 21 24 1 0 16 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 17 1 0 35 29 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 32 34 2 0 11 35 1 0 M END
O=C(O)CCCOc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
[O][=C][Branch1][C][O][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
InChI=1S/C31H26O4/c32-30(33)11-6-20-34-26-18-16-24(17-19-26)23-12-14-25(15-13-23)31-27-9-4-5-10-28(27)35-29(31)21-22-7-2-1-3-8-22/h1-5,7-10,12-19H,6,11,20-21H2,(H,32,33)
US20070015754A1_p0039_x1395_y0837_c00247
0780.cdx ChemDraw11020615122D 27 29 0 0 0 0 0 0 0 0999 V2000 -3.5049 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 -1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -0.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7819 -0.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 0.1209 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 -2.3541 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0674 0.9459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 -1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -0.7041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 -0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 -1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 2.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8391 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 1.3436 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 7 5 1 0 8 7 1 0 9 8 1 0 10 9 2 0 11 10 1 0 12 11 1 0 1 13 1 0 3 14 1 0 9 15 1 0 11 16 2 0 12 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 12 1 0 20 21 1 0 17 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 21 1 0 M END
Cc1onc(-c2ccccc2)c1C(=O)/N=C(\N)NCc1cc(Cl)cc(Cl)c1
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][/N][=C][Branch1][C][\N][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
InChI=1S/C19H16Cl2N4O2/c1-11-16(17(25-27-11)13-5-3-2-4-6-13)18(26)24-19(22)23-10-12-7-14(20)9-15(21)8-12/h2-9H,10H2,1H3,(H3,22,23,24,26)
US20040254236A1_p0007_x0600_y0538_c00001
0140.cdx ChemDraw11150409572D 17 17 0 0 0 0 0 0 0 0999 V2000 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.4289 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.4289 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.0000 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.4289 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.4289 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.8250 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.8250 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.8250 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 5 8 1 0 4 9 1 0 3 10 1 0 2 11 1 0 1 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 15 16 1 4 15 17 1 4 M END
*c1c(*)c(*)c(C(*)(*)C(C)C)c(*)c1*
null
US20070105909A1_p0033_x0444_y1290_c00103
0500.cdx ChemDraw03260715422D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.5960 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 0.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 1.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7729 0.0100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9258 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9258 -0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 -0.4170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 0.2505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9479 -1.1314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -0.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7729 -1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 1.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 -1.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 -0.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 -1.3714 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 3 0 3 14 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 9 1 0 9 14 1 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 17 21 2 0 10 22 1 0 22 23 1 0 M END
CCc1nn(CS(C)(=O)=O)c(CC)c1Cc1ccc(C#N)cc1
[C][C][C][=N][N][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][Ring1][C][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
InChI=1S/C17H21N3O2S/c1-4-16-15(10-13-6-8-14(11-18)9-7-13)17(5-2)20(19-16)12-23(3,21)22/h6-9H,4-5,10,12H2,1-3H3
US20060154945A1_p0018_x1375_y2533_c00068
0401.cdx ChemDraw06010609462D 24 28 0 0 0 0 0 0 0 0999 V2000 -3.8902 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 1.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 -0.2159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 -1.5205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 -0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 0.0189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6408 0.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 -0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 1.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -0.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -1.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 3 1 0 2 6 1 0 2 4 1 0 3 4 1 0 5 6 1 0 4 17 1 0 5 7 1 0 17 7 1 1 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 24 1 0 24 8 2 0 13 14 1 0 14 15 1 0 15 17 1 0 17 16 1 0 16 13 1 0 14 18 2 0 13 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 19 2 0 22 24 1 0 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1cc(-c2cccnc2)co1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][O][Ring1][O]
InChI=1S/C18H19N3O3/c22-17-21(12-18(24-17)11-20-6-3-15(18)4-7-20)16-8-14(10-23-16)13-2-1-5-19-9-13/h1-2,5,8-10,15H,3-4,6-7,11-12H2/t18-/m1/s1
US20070049758A1_p0027_x0513_y0636_c00054
0041.cdx ChemDraw01140703102D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.1434 1.0313 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 -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 -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 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.6812 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 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4437 0.0000 O 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 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 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.0313 0.0000 N 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 2.2687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 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 2 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 3 11 1 0 11 12 3 0 12 13 1 0 5 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 20 21 1 0 18 22 1 0 M END
C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1Cl
[C][#C][C][=C][C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][Cl]
InChI=1S/C15H15ClN4O/c1-4-9-5-12(10(8(2)3)6-11(9)16)21-13-7-19-15(18)20-14(13)17/h1,5-8H,2-3H3,(H4,17,18,19,20)
US20050227932A1_p0026_x1376_y0950_c00030
0581.cdx ChemDraw09070517222D 39 42 0 0 0 0 0 0 0 0999 V2000 -0.8553 -0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8553 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.2547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 0.4155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5698 0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5698 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 -1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 -1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -0.5114 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 -1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -2.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 -3.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 -3.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 -4.8270 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 -2.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 -1.3364 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 0.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2207 1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 3.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2415 3.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 4.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8717 4.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 4.4572 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 1 0 5 6 1 0 6 7 1 0 7 1 1 0 5 8 1 6 7 9 1 0 1 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 2 1 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 8 1 0 16 19 1 0 4 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 24 27 1 0 3 28 2 0 12 29 1 0 6 30 2 0 20 31 1 6 9 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 2 0 M END
C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1
[C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][Branch1][N][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C30H29Cl2IN2O4/c1-19(20-7-11-22(31)12-8-20)35-28(21-9-13-23(32)14-10-21)30(39)34(17-5-3-2-4-6-27(36)37)26-16-15-24(33)18-25(26)29(35)38/h7-16,18-19,28H,2-6,17H2,1H3,(H,36,37)/t19-,28+/m1/s1
US20060122222A1_p0015_x0638_y2624_c00044
0002.cdx ChemDraw04230617272D 44 49 0 0 0 0 0 0 0 0999 V2000 -6.6772 -0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1835 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3643 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0386 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5322 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3515 0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -1.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 -0.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 -2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0133 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 -2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3152 -1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1777 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1777 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 1.6627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 1.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 0.4252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 2.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 1.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 -0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 0.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9627 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9627 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6772 0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 2.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 2.3772 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 4 1 0 7 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 8 2 0 13 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 17 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 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 27 1 0 31 33 1 0 33 34 2 0 33 35 1 0 30 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 39 42 1 0 26 43 2 0 26 44 2 0 M END
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CC1C(=O)O
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring2][C][C][=Branch1][C][=O][O]
InChI=1S/C34H32N2O7S/c1-34(2,3)43-33(39)36-20-19-35(21-29(36)32(37)38)44(40,41)25-17-15-23(16-18-25)22-11-13-24(14-12-22)26-8-6-9-28-27-7-4-5-10-30(27)42-31(26)28/h4-18,29H,19-21H2,1-3H3,(H,37,38)
US20050009817A1_p0022_x0573_y1786_c00074
0016.cdx ChemDraw12150416012D 32 36 0 0 0 0 0 0 0 0999 V2000 -2.5006 -0.8250 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 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.0000 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 -3.2151 -1.2375 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 -1.0717 -0.8250 0.0000 N 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 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -1.2375 0.0000 Cl 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 -0.3572 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -3.3000 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 0.0000 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 1.0717 1.2375 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 1.2375 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 2.5006 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.8875 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 3.9296 2.8875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9296 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 2.4750 0.0000 O 0 5 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 2 0 8 9 1 0 9 10 2 0 10 2 1 0 5 11 1 0 7 12 1 0 9 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 13 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 13 1 0 21 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 2 0 30 32 1 0 M CHG 2 30 1 32 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 30 31 32 M SBL 1 1 34 M SMT 1 NO2 M SBV 1 34 -4.2271 5.2174 M END
O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)CC2)cc1
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][C][N][Branch2][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
InChI=1S/C24H20ClN5O2/c25-18-6-11-22-21(16-18)23(17-4-2-1-3-5-17)27-24(26-22)29-14-12-28(13-15-29)19-7-9-20(10-8-19)30(31)32/h1-11,16H,12-15H2
US20070155803A1_p0026_x0466_y2780_c00063
0541.cdx ChemDraw05240722032D 22 23 0 0 0 0 0 0 0 0999 V2000 -3.5724 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 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 3 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 16 17 1 0 2 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 2 1 0 M END
NC1(C(=O)NNC(=O)NCc2ccccc2Cl)CCCCC1
[N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][C][C][Ring2][Ring1][Branch1]
InChI=1S/C15H21ClN4O2/c16-12-7-3-2-6-11(12)10-18-14(22)20-19-13(21)15(17)8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10,17H2,(H,19,21)(H2,18,20,22)
US20050227932A1_p0035_x0404_y0816_c00061
0791.cdx ChemDraw09070518412D 37 40 0 0 0 0 0 0 0 0999 V2000 -1.4819 0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -0.9985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 0.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 0.6717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1503 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 -1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 -0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 -1.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 -1.0802 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 -0.2552 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 2.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 3.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 4.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 5.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8916 4.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 1.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3346 -2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3346 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -4.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -3.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -5.0130 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -1.3005 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 2 0 7 1 1 0 5 8 1 0 1 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 8 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 8 1 0 3 18 2 0 11 19 1 0 15 20 1 0 7 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 6 28 2 0 4 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 30 1 0 33 36 1 0 29 37 1 6 M END
null
null
null
US20070155803A1_p0018_x1352_y1229_c00027
0401.cdx ChemDraw05240721372D 37 38 0 0 0 0 0 0 0 0999 V2000 -2.5006 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 N 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 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.6500 0.0000 O 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 1.0717 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.8250 0.0000 N 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 3.9296 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.6500 0.0000 O 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 3.2151 1.6500 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 -4.6441 -0.4125 0.0000 N 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 -3.9296 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -2.0625 0.0000 C 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 1.0717 -2.8875 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 3.9296 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 2.0625 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 -2.8875 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 1.7862 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -3.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -2.8875 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 10 14 1 1 14 15 1 0 16 15 1 0 6 23 1 6 1 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 18 21 1 6 21 22 1 0 24 25 2 0 25 23 1 0 15 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 16 2 0 24 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 25 1 0 29 34 1 0 34 35 1 0 31 36 1 0 22 37 1 0 M END
CCC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccc(OC)c1)C(N)=O
[C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][C][N][=O]
InChI=1S/C25H33ClN6O5/c1-3-5-19(27)23(34)31-32-25(36)30-21(13-15-8-10-17(26)11-9-15)24(35)29-20(22(28)33)14-16-6-4-7-18(12-16)37-2/h4,6-12,19-21H,3,5,13-14,27H2,1-2H3,(H2,28,33)(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-,21-/m0/s1
US20050182067A1_p0037_x0528_y2177_c00139
0720.cdx ChemDraw07100519542D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.1434 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.8563 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 -0.7145 -0.6187 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 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2062 0.0000 N 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 0.7145 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.8563 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 2.1434 -0.6187 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 2.8579 -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 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.8563 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 6 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 17 19 2 0 M END
O=C1COc2cccc(Nc3cc(Cl)ncn3)c2N1
[O][=C][C][O][C][=C][C][=C][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][=C][Ring1][=C][N][Ring2][Ring1][C]
InChI=1S/C12H9ClN4O2/c13-9-4-10(15-6-14-9)16-7-2-1-3-8-12(7)17-11(18)5-19-8/h1-4,6H,5H2,(H,17,18)(H,14,15,16)
US20070155803A1_p0016_x1305_y2183_c00021
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CC(C)[C@H](NC(=O)NNC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O]
InChI=1S/C28H33FN6O4/c1-16(2)24(27(38)32-23(25(31)36)15-17-6-5-9-21(29)13-17)33-28(39)35-34-26(37)22(30)14-18-10-11-19-7-3-4-8-20(19)12-18/h3-13,16,22-24H,14-15,30H2,1-2H3,(H2,31,36)(H,32,38)(H,34,37)(H2,33,35,39)/t22-,23-,24-/m0/s1
US20060154945A1_p0019_x0402_y0725_c00069
0402.cdx ChemDraw06010610062D 24 28 0 0 0 0 0 0 0 0999 V2000 -3.8902 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 1.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5827 0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 -0.2159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -1.5205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 -1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 -0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 0.0189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6408 0.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 -0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 1.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -0.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -1.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 3 1 0 2 6 1 0 2 4 1 0 3 4 1 0 5 6 1 0 4 17 1 0 5 7 1 0 17 7 1 1 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 24 1 0 24 8 2 0 13 14 1 0 14 15 1 0 15 17 1 0 17 16 1 0 16 13 1 0 14 18 2 0 13 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 19 2 0 22 24 1 0 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1cc(-c2ccccn2)co1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][O][Ring1][O]
InChI=1S/C18H19N3O3/c22-17-21(12-18(24-17)11-20-7-4-14(18)5-8-20)16-9-13(10-23-16)15-3-1-2-6-19-15/h1-3,6,9-10,14H,4-5,7-8,11-12H2/t18-/m1/s1
US20050054819A1_p0024_x1375_y1057_c00085
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C[C@@H](NC(=O)C(OC(=O)c1ccccc1)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1
[C][C@@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Ring2][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C35H43N3O7/c1-25(27-18-10-6-11-19-27)37-31(39)30(44-32(40)28-20-12-7-13-21-28)29(38-34(42)45-35(2,3)4)22-14-15-23-36-33(41)43-24-26-16-8-5-9-17-26/h5-13,16-21,25,29-30H,14-15,22-24H2,1-4H3,(H,36,41)(H,37,39)(H,38,42)/t25-,29+,30?/m1/s1
US20050004369A1_p0021_x1309_y1117_c00033
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CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c([N+](=O)[O-])c2)cc1
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch1][=N][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI=1S/C34H33NO4/c1-2-3-14-33-30(29-13-7-8-15-32(29)39-33)23-26-16-18-27(19-17-26)28-20-21-34(31(24-28)35(36)37)38-22-9-12-25-10-5-4-6-11-25/h4-8,10-11,13,15-21,24H,2-3,9,12,14,22-23H2,1H3
US20050182067A1_p0031_x1477_y1053_c00108
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Clc1cc(Nc2ccc3cccnc3c2)ncn1
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InChI=1S/C13H9ClN4/c14-12-7-13(17-8-16-12)18-10-4-3-9-2-1-5-15-11(9)6-10/h1-8H,(H,16,17,18)
US20040266789A1_p0007_x1367_y1327_c00007
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[7*]NC(CSCc1ccc(-c2ccc(C)cc2)c([20*])c1[21*])C(C)=O
null
US20050182067A1_p0038_x0401_y1197_c00144
0733.cdx ChemDraw07110517422D 31 35 0 0 0 0 0 0 0 0999 V2000 -3.6912 0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -0.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 0.4641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0119 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -0.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0119 0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 -1.0828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 -1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 -1.0828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1315 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 -0.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -1.2740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2271 -0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -0.2729 0.0000 S 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 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 14 9 1 0 12 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 19 21 1 0 21 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 8 28 1 0 25 29 1 0 29 30 2 0 30 31 1 0 31 26 1 0 M END
CC(c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4ncsc4c3)ncn2)CC1
[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][Branch1][#C][N][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][=N][Ring1][S][C][C][Ring2][Ring1][=Branch1]
InChI=1S/C23H23FN6S/c1-16(17-2-4-18(24)5-3-17)29-8-10-30(11-9-29)23-13-22(25-14-26-23)28-19-6-7-20-21(12-19)31-15-27-20/h2-7,12-16H,8-11H2,1H3,(H,25,26,28)
US20050002859A1_p0038_x1398_y1884_c00138
0003.cdx ChemDraw12110422212D 33 36 0 0 0 0 0 0 0 0999 V2000 -4.0270 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -0.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8836 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8836 1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3845 -0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3845 0.9877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 2.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 1.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 2.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 3.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 2.6387 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 -1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -2.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 -2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8499 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 -2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 -1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -3.0086 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 2 0 4 5 1 0 5 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 6 1 0 11 12 1 0 12 13 2 0 12 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 19 20 1 0 17 21 1 0 10 22 1 0 9 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 27 1 0 30 33 1 0 A 20 X M END
COc1ccc2c(c1)c(CC(=O)Nc1ccc(F)cc1)c(C)n2C(=O)c1ccc(Cl)cc1C
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C]
InChI=1S/C26H22ClFN2O3/c1-15-12-17(27)4-10-21(15)26(32)30-16(2)22(23-13-20(33-3)9-11-24(23)30)14-25(31)29-19-7-5-18(28)6-8-19/h4-13H,14H2,1-3H3,(H,29,31)
US20050004369A1_p0030_x0443_y1680_c00057
0006.cdx ChemDraw12060416322D 43 47 0 0 0 0 0 0 0 0999 V2000 -1.2571 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7637 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 -0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 0.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 -0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 -0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3978 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7677 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 -1.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 -0.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9968 -1.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3666 -2.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -3.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -2.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 -1.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5242 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0091 2.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0091 3.3692 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 2 14 1 0 5 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 10 13 1 0 14 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 3 24 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 2 0 29 27 1 0 30 25 2 0 13 39 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 31 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 36 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 M END
CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c(NC(=O)CC(=O)O)c2)cc1
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
InChI=1S/C37H37NO5/c1-2-3-14-34-31(30-13-7-8-15-33(30)43-34)23-27-16-18-28(19-17-27)29-20-21-35(32(24-29)38-36(39)25-37(40)41)42-22-9-12-26-10-5-4-6-11-26/h4-8,10-11,13,15-21,24H,2-3,9,12,14,22-23,25H2,1H3,(H,38,39)(H,40,41)
US20060154945A1_p0014_x1375_y2818_c00046
0320.cdx ChemDraw05290607032D 23 27 0 0 0 0 0 0 0 0999 V2000 -3.6682 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 -0.0828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8241 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 -0.2693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -0.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 0.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 1.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 -1.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 -0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 3 1 0 2 6 1 0 2 4 1 0 3 4 1 0 5 6 1 0 4 17 1 0 5 7 1 0 17 7 1 1 14 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 11 13 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 15 19 2 0 13 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 13 2 0 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2ccco2)s1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2]
InChI=1S/C17H18N2O3S/c20-16-19(15-4-3-14(23-15)13-2-1-9-21-13)11-17(22-16)10-18-7-5-12(17)6-8-18/h1-4,9,12H,5-8,10-11H2/t17-/m1/s1
US20070105909A1_p0031_x1536_y1448_c00094
0484.cdx ChemDraw03260715392D 16 16 0 0 0 0 0 0 0 0999 V2000 -0.5737 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2513 -0.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 0.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5737 -1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -1.0400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2576 -0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -0.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 -1.6234 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 4 6 1 0 5 7 1 0 7 8 1 0 2 9 1 0 1 10 1 0 6 11 1 0 10 12 1 0 9 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 A 8 Ar1 M END
CCc1nn(CS(C)(=O)=O)c(CC)c1OC
[C][C][C][=N][N][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][Ring1][C][C][=C][Ring1][N][O][C]
InChI=1S/C10H18N2O3S/c1-5-8-10(15-3)9(6-2)12(11-8)7-16(4,13)14/h5-7H2,1-4H3
US20070179154A1_p0031_x1376_y1739_c00014
1440.cdx ChemDraw06210715392D 36 39 0 0 0 0 0 0 0 0999 V2000 -3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -0.4125 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 5 8 1 0 2 9 1 0 4 10 1 0 10 11 2 0 10 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 16 18 1 0 11 19 1 0 19 8 1 0 19 20 2 0 21 11 1 0 22 21 1 0 23 22 1 0 22 24 2 0 23 25 1 0 23 26 1 0 25 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 25 1 0 29 32 1 0 27 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 33 34 35 36 M SBL 1 1 36 M SMT 1 CF3 M SBV 1 36 -5.7315 6.2108 M END
Cc1cc2c(-c3cccc(Br)c3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl
[C][C][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=N][C][=C][Ring2][Ring1][P][Cl]
InChI=1S/C25H15BrClF4NO3/c1-12-7-16-21(11-19(12)27)35-24(34)17(23(16)13-3-2-4-14(26)8-13)10-22(33)32-20-6-5-15(28)9-18(20)25(29,30)31/h2-9,11H,10H2,1H3,(H,32,33)
US20050009817A1_p0032_x0441_y2076_c00092
0580.cdx ChemDraw12190420012D 36 40 0 0 0 0 0 0 0 0999 V2000 -0.4369 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 1.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 2.6812 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 3.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 3.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 0.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -0.8737 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 2 0 8 9 1 0 9 10 2 0 10 2 1 0 7 11 1 0 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 9 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 18 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 28 29 1 0 29 30 2 0 29 31 1 0 29 32 2 0 17 33 2 0 17 34 1 0 34 35 1 0 35 36 2 0 36 33 1 0 M END
CCCCc1ccc(-c2nc(Nc3ccccc3S(N)(=O)=O)nc3ccc(-c4ccco4)cc23)cc1
[C][C][C][C][C][=C][C][=C][Branch2][Ring2][=N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][=N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2][Ring1][O][C][=C][Ring2][Ring1][S]
InChI=1S/C28H26N4O3S/c1-2-3-7-19-11-13-20(14-12-19)27-22-18-21(25-9-6-17-35-25)15-16-23(22)30-28(32-27)31-24-8-4-5-10-26(24)36(29,33)34/h4-6,8-18H,2-3,7H2,1H3,(H2,29,33,34)(H,30,31,32)
US20080113922A1_p0008_x0347_y2067_c00017
00037001.cdx ChemDraw03240814222D 28 30 0 0 0 0 0 0 0 0999 V2000 -5.0566 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.8563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 0.6187 0.0000 R1A 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 16 17 1 0 18 13 1 6 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 18 1 0 22 24 1 6 19 25 1 1 21 26 1 1 20 27 1 6 24 28 1 0 A 23 X M END
*O[C@H]1C[C@@H](c2ccc(Cl)c(Cc3ccc(OCC)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
null
US20040229890A1_p0015_x0466_y1678_c00066
0341.cdx ChemDraw10200412552D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 0.9645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2775 1.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0625 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 1 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 2 1 0 5 11 1 0 3 12 1 0 9 13 1 0 13 14 1 0 14 15 2 0 15 10 1 0 8 16 1 0 12 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 16 1 0 22 23 1 0 13 24 1 0 23 25 1 0 20 26 1 0 26 27 1 0 12 28 1 0 M END
COc1ncc(-c2cc3nc(N)nc(N(C)C)c3c3ccn(C)c23)c(OC)n1
[C][O][C][=N][C][=C][Branch2][Ring2][C][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][=C][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][=Branch1][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][#Branch2]
InChI=1S/C19H21N7O2/c1-25(2)16-14-10-6-7-26(3)15(10)11(8-13(14)22-18(20)23-16)12-9-21-19(28-5)24-17(12)27-4/h6-9H,1-5H3,(H2,20,22,23)
US20070179154A1_p0031_x0508_y2694_c00013
1420.cdx ChemDraw07060712532D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.6500 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 1 7 1 0 5 8 1 0 2 9 1 0 4 10 1 0 10 11 2 0 10 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 16 18 1 0 11 19 1 0 19 8 1 0 19 20 2 0 21 11 1 0 22 21 1 0 23 22 1 0 22 24 2 0 M END
Cc1cc2c(-c3cccc(Br)c3)c(CC(=O)O)c(=O)oc2cc1Cl
[C][C][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][Cl]
InChI=1S/C18H12BrClO4/c1-9-5-12-15(8-14(9)20)24-18(23)13(7-16(21)22)17(12)10-3-2-4-11(19)6-10/h2-6,8H,7H2,1H3,(H,21,22)
US20070155803A1_p0019_x0379_y0925_c00030
0411.cdx ChemDraw05240721452D 42 44 0 0 0 0 0 0 0 0999 V2000 -1.0717 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 1.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 2.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 2.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0709 3.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 4.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 3.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -2.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -3.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -2.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -3.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -4.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 1 1 0 6 12 2 0 5 13 1 6 3 14 2 0 3 15 1 0 15 2 1 0 15 28 1 1 1 16 2 0 9 17 2 0 10 18 1 0 10 19 1 1 19 20 1 0 20 21 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 26 28 1 0 23 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 29 1 0 13 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 35 1 0 37 41 1 0 41 42 1 0 M END
CCC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1cccc(OC)c1)C(N)=O
[C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][C][N][=O]
InChI=1S/C31H38N6O5/c1-3-8-25(32)29(39)36-37-31(41)35-27(18-20-13-15-23(16-14-20)22-10-5-4-6-11-22)30(40)34-26(28(33)38)19-21-9-7-12-24(17-21)42-2/h4-7,9-17,25-27H,3,8,18-19,32H2,1-2H3,(H2,33,38)(H,34,40)(H,36,39)(H2,35,37,41)/t25-,26-,27-/m0/s1
US20050288357A1_p0039_x1507_y2165_c00071
0750.cdx ChemDraw11280509572D 25 26 0 0 0 0 0 0 0 0999 V2000 -2.9166 -0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 -0.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 1.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 -1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 -2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -3.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 -2.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5426 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 -2.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -3.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 3.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 3 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 3 15 1 1 15 16 2 0 16 17 1 0 17 18 1 6 17 19 1 0 19 20 1 0 21 20 1 0 20 22 1 0 12 23 1 0 23 24 2 0 23 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 23 24 25 M SBL 1 1 24 M SMT 1 CO2H M SBV 1 24 -4.9440 3.4877 M END
CC(C)C[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
[C][C][Branch1][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
InChI=1S/C20H27NO4/c1-14(2)13-18(22)9-7-17-8-10-19(23)21(17)12-11-15-3-5-16(6-4-15)20(24)25/h3-7,9,14,17-18,22H,8,10-13H2,1-2H3,(H,24,25)/b9-7+/t17-,18+/m0/s1
US20050227932A1_p0027_x1376_y0957_c00034
0610.cdx ChemDraw09070517312D 39 43 0 0 0 0 0 0 0 0999 V2000 -1.2074 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 1.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 1.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 0.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 -0.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6624 -0.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 0.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6624 0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 0.0891 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -2.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -2.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -3.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -3.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 -2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -4.2266 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 -0.7359 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5728 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9076 2.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 3.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 4.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8999 3.5121 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 7 1 0 7 1 1 0 5 8 1 6 7 9 1 0 1 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 2 2 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 8 1 0 16 19 1 0 4 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 24 27 1 0 3 28 2 0 12 29 1 0 6 30 2 0 20 31 1 6 9 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 32 2 0 34 37 1 0 37 38 1 0 37 39 2 0 M END
C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(Cc2ccc(C(=O)O)o2)C(=O)[C@@H]1c1ccc(Cl)cc1
[C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][Branch1][S][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C29H21Cl2IN2O5/c1-16(17-2-6-19(30)7-3-17)34-26(18-4-8-20(31)9-5-18)28(36)33(15-22-11-13-25(39-22)29(37)38)24-12-10-21(32)14-23(24)27(34)35/h2-14,16,26H,15H2,1H3,(H,37,38)/t16-,26+/m1/s1
US20050002859A1_p0024_x0451_y1702_c00119
0340.cdx ChemDraw12030407362D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.7634 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 -0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 0.9591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 1.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 -1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 -1.8871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 -2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -2.8975 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 2.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 2.5277 0.0000 R9 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 1 9 1 0 9 10 2 0 10 11 1 0 11 2 1 0 11 12 1 0 12 13 1 0 10 14 1 0 9 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 13 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 13 1 0 22 25 1 0 A 15 (CH2)s M END
[2*]C(=O)NCc1c(C)n(Cc2ccc([9*])cc2)c2ccc(OC)cc12
null
US20050288357A1_p0037_x0533_y1375_c00067
0691.cdx ChemDraw11280509542D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.9684 -0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 -0.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 1.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9561 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 0.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 0.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5909 2.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -1.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -3.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -3.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 -3.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 -2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -1.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1502 2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1502 3.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 2.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 3 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 3 15 1 1 15 16 2 0 16 17 1 0 17 18 1 6 17 19 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 12 26 1 0 26 27 2 0 26 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 26 27 28 M SBL 1 1 28 M SMT 1 CO2H M SBV 1 28 -4.9810 3.5231 M END
O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CC2CCCCC2)cc1
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI=1S/C23H31NO4/c25-21(16-18-4-2-1-3-5-18)12-10-20-11-13-22(26)24(20)15-14-17-6-8-19(9-7-17)23(27)28/h6-10,12,18,20-21,25H,1-5,11,13-16H2,(H,27,28)/b12-10+/t20-,21+/m0/s1
US20070117785A1_p0048_x0338_y1222_c00089
1080.cdx ChemDraw04030710172D 44 49 0 0 0 0 0 0 0 0999 V2000 -3.6573 1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6573 0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 1.5227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4581 0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4581 1.5227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2278 1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 0.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 1.7675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6769 1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1305 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -0.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 -0.8187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 -1.5837 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 0.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 -1.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 -0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2611 -1.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 -2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 -1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5089 1.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 -2.7717 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 2.7717 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 1.9467 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7369 1.1217 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 -2.3487 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 7 8 1 0 8 9 1 0 9 5 1 0 10 11 1 0 11 12 1 0 12 8 1 0 10 13 2 0 13 21 1 0 21 14 2 0 14 11 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 15 2 0 20 21 1 0 10 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 13 1 0 24 26 1 0 2 27 1 0 26 28 2 0 26 29 2 0 27 30 1 0 27 31 1 0 31 32 1 0 32 33 1 0 33 30 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 30 1 0 31 38 2 0 35 39 1 0 17 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 26 44 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 40 41 42 43 M SBL 1 1 45 M SMT 1 CF3 M SBV 1 45 -4.9973 3.0990 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 1 44 M SBL 2 1 49 M SMT 2 Me M SBV 2 49 -5.5574 2.1290 M END
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(N3C(=O)Cc4cc(Cl)ccc43)CC2)C1
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][#C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][Branch2]
InChI=1S/C30H33ClF3N5O4S/c1-44(42,43)37-13-10-27-25(18-37)29(19-2-4-21(5-3-19)30(32,33)34)35-38(27)17-24(40)16-36-11-8-23(9-12-36)39-26-7-6-22(31)14-20(26)15-28(39)41/h2-7,14,23-24,40H,8-13,15-18H2,1H3
US20060154945A1_p0016_x0402_y0666_c00052
0340.cdx ChemDraw06010609132D 24 28 0 0 0 0 0 0 0 0999 V2000 -3.8154 -0.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 1.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3837 0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 0.1955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -1.0710 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 -0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5593 0.1665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5593 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 1.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8288 0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 -0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 1.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 -1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -1.8824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 -0.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 3 1 0 2 6 1 0 2 4 1 0 3 4 1 0 5 6 1 0 4 16 1 0 5 7 1 0 16 7 1 1 13 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 13 1 0 14 18 2 0 11 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 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1cc(-c2cccnc2)cs1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O]
InChI=1S/C18H19N3O2S/c22-17-21(12-18(23-17)11-20-6-3-15(18)4-7-20)16-8-14(10-24-16)13-2-1-5-19-9-13/h1-2,5,8-10,15H,3-4,6-7,11-12H2/t18-/m1/s1
US20060122222A1_p0039_x1472_y0779_c00101
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O=C(O)CCNc1cc(-c2ccccc2)nc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)n1
[O][=C][Branch1][C][O][C][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#C]
InChI=1S/C31H23N3O3/c35-29(36)17-18-32-28-19-26(21-7-2-1-3-8-21)33-31(34-28)22-15-13-20(14-16-22)23-10-6-11-25-24-9-4-5-12-27(24)37-30(23)25/h1-16,19H,17-18H2,(H,35,36)(H,32,33,34)
US20050075347A1_p0027_x0416_y2104_c00062
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O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cnoc2C2CC2)cc1
[O][=C][Branch2][Ring1][#Branch1][C][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][S][C][C][Ring1][O][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=C]
InChI=1S/C24H24N4O5S/c29-20(15-3-1-14(2-4-15)17-11-26-33-22(17)16-5-6-16)12-25-21(30)7-9-28-19-8-10-34-13-18(19)23(31)27-24(28)32/h1-4,11,16H,5-10,12-13H2,(H,25,30)(H,27,31,32)
US20070155803A1_p0022_x0393_y1328_c00042
0460.cdx ChemDraw05240721492D 19 19 0 0 0 0 0 0 0 0999 V2000 -4.2868 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 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 3 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 2 13 1 1 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 12 1 0 16 19 1 0 M END
C[C@H](N)C(=O)NNC(=O)NCCc1ccc(O)cc1
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
InChI=1S/C12H18N4O3/c1-8(13)11(18)15-16-12(19)14-7-6-9-2-4-10(17)5-3-9/h2-5,8,17H,6-7,13H2,1H3,(H,15,18)(H2,14,16,19)/t8-/m0/s1
US20050267177A1_p0040_x0330_y0603_c00160
1300.cdx ChemDraw10230508162D 37 40 0 0 0 0 0 0 0 0999 V2000 0.3738 2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0105 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0105 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 1.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 1.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 -0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5363 1.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 1.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 0.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 -0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 -1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 -1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 -2.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4675 -2.1311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 -1.4747 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 -2.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4203 0.5211 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 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 8 20 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 37 1 0 37 25 2 0 25 22 1 0 26 23 1 0 2 8 1 1 4 7 1 1 21 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 21 1 0 29 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 21 37 1 0 M END
Cc1cccc(CO[C@@H]2CCC[C@H](OCc3nc(-c4ccc(OC(F)(F)F)cc4)oc3C)C2)c1C(=O)O
[C][C][=C][C][=C][C][Branch2][Ring2][#C][C][O][C@@H1][C][C][C][C@H1][Branch2][Ring1][P][O][C][C][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][O][C][=Ring1][S][C][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O]
InChI=1S/C27H28F3NO6/c1-16-5-3-6-19(24(16)26(32)33)14-34-21-7-4-8-22(13-21)35-15-23-17(2)36-25(31-23)18-9-11-20(12-10-18)37-27(28,29)30/h3,5-6,9-12,21-22H,4,7-8,13-15H2,1-2H3,(H,32,33)/t21-,22+/m1/s1
US20070105909A1_p0024_x0492_y2539_c00058
0383.cdx ChemDraw03250720032D 18 18 0 0 0 0 0 0 0 0999 V2000 -3.1876 1.5030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3907 1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 1.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0104 1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 0.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 -0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8073 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 -0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 10 15 1 0 15 16 1 0 15 17 2 0 16 18 1 0 M END
CCC(=O)C(Cc1ccc(C#N)cc1)C(=O)CC
[C][C][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C]
InChI=1S/C15H17NO2/c1-3-14(17)13(15(18)4-2)9-11-5-7-12(10-16)8-6-11/h5-8,13H,3-4,9H2,1-2H3
US20070117785A1_p0058_x1307_y1733_c00116
1342.cdx ChemDraw03300712392D 43 48 0 0 0 0 0 0 0 0999 V2000 -3.4965 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 1.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 1.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 1.5723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 0.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3181 2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 1.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -0.9207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3555 -0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9857 -1.6582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 -1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1577 0.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8189 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4801 0.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4801 -0.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8189 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1577 -0.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8189 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1577 -2.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8189 1.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.4859 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4801 1.6609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 0.8359 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -2.4859 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 7 8 1 0 8 5 1 0 9 10 1 0 10 11 1 0 11 7 1 0 9 12 2 0 12 20 1 0 20 13 2 0 13 10 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 19 20 1 0 9 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 12 1 0 23 25 1 0 25 26 2 0 25 27 2 0 2 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 28 1 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 33 1 0 29 38 2 0 16 39 1 0 39 40 1 0 39 41 1 0 39 42 1 0 25 43 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 39 40 41 42 M SBL 1 1 44 M SMT 1 CF3 M SBV 1 44 -5.1494 2.4384 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 1 43 M SBL 2 1 48 M SMT 2 Me M SBV 2 48 -5.6901 1.4973 M END
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(N3C(=O)NCc4ccccc43)CC2)C1
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][#Branch2][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][C][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][#Branch1]
InChI=1S/C30H35F3N6O3S/c1-43(41,42)37-18-13-27-25(20-37)28(21-7-9-23(10-8-21)30(31,32)33)35-38(27)15-4-14-36-16-11-24(12-17-36)39-26-6-3-2-5-22(26)19-34-29(39)40/h2-3,5-10,24H,4,11-20H2,1H3,(H,34,40)
US20070049758A1_p0024_x0476_y1159_c00042
0029.cdx ChemDraw01130703152D 21 22 0 0 0 0 0 0 0 0999 V2000 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.8563 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 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 7 9 1 0 3 10 1 0 5 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 17 18 1 0 15 19 1 0 1 20 1 0 20 21 1 0 M END
COc1cc(I)cc(Oc2cnc(N)nc2N)c1C(C)C
[C][O][C][=C][C][Branch1][C][I][=C][C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Ring1][S][C][Branch1][C][C][C]
InChI=1S/C14H17IN4O2/c1-7(2)12-9(20-3)4-8(15)5-10(12)21-11-6-18-14(17)19-13(11)16/h4-7H,1-3H3,(H4,16,17,18,19)
US20060154945A1_p0019_x1375_y2739_c00074
0421.cdx ChemDraw06010610552D 24 28 0 0 0 0 0 0 0 0999 V2000 -3.8481 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4164 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 -0.0965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2918 -0.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 0.2737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8614 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 1.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1878 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1878 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9725 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9725 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 -1.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -1.7753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6345 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 -0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 1 3 1 0 2 6 1 0 2 4 1 0 3 4 1 0 5 6 1 0 4 12 1 0 5 7 1 0 12 7 1 1 8 9 1 0 9 10 1 0 10 12 1 0 12 11 1 0 11 8 1 0 9 13 2 0 8 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 14 1 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 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1coc(-c2cccnc2)c1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][O]
InChI=1S/C18H19N3O3/c22-17-21(12-18(24-17)11-20-6-3-14(18)4-7-20)15-8-16(23-10-15)13-2-1-5-19-9-13/h1-2,5,8-10,14H,3-4,6-7,11-12H2/t18-/m1/s1
US20070015754A1_p0038_x0487_y1067_c00240
0741.cdx ChemDraw11030612492D 28 29 0 0 0 0 0 0 0 0999 V2000 -3.4927 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2231 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2231 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 -0.3257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 1.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 -0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8429 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2595 -1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 -1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9072 -2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 1.9917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 1.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4927 1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 7 6 2 0 8 7 1 0 9 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 9 2 0 10 14 1 0 14 15 2 0 15 16 1 0 16 19 2 0 19 17 1 0 17 18 2 0 18 14 1 0 20 19 1 0 21 20 1 0 13 22 1 0 8 23 2 0 6 24 1 0 4 25 2 0 24 26 1 0 2 27 1 0 2 28 1 0 M END
COc1ccc(-c2noc(C)c2C(=O)/N=C(/NC(=O)OC(C)(C)C)SC)cc1
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/N][=C][Branch1][#C][/N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][S][C][C][=C][Ring2][Ring1][#Branch2]
InChI=1S/C19H23N3O5S/c1-11-14(15(22-27-11)12-7-9-13(25-5)10-8-12)16(23)20-17(28-6)21-18(24)26-19(2,3)4/h7-10H,1-6H3,(H,20,21,23,24)
US20050009817A1_p0033_x0552_y0651_c00095
0591.cdx ChemDraw12190420032D 19 21 0 0 0 0 0 0 0 0999 V2000 -0.8890 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 1.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -0.1902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 1.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 1.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 -0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -1.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 -0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -1.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 -1.3873 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 1 0 9 10 1 0 10 5 1 0 10 11 1 0 9 12 2 0 8 13 1 0 7 14 2 0 2 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 15 2 0 M END
O=c1[nH]c(=O)c2cc(-c3ccco3)ccc2[nH]1
[O][=C][NH1][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][O][NH1][Ring1][S]
InChI=1S/C12H8N2O3/c15-11-8-6-7(10-2-1-5-17-10)3-4-9(8)13-12(16)14-11/h1-6H,(H2,13,14,15,16)
US20080113922A1_p0019_x1337_y0938_c00057
00062001.cdx ChemDraw03250810472D 29 31 0 0 0 0 0 0 0 0999 V2000 -2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.8562 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 1.8563 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 7 1 1 0 8 7 1 0 9 8 1 0 10 4 1 0 11 10 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 11 2 0 16 17 1 0 18 13 1 6 18 19 1 0 19 20 1 0 20 21 1 0 21 26 1 0 26 22 1 0 22 18 1 0 19 23 1 1 21 24 1 1 20 25 1 6 22 27 1 0 27 28 2 0 27 29 1 0 M END
CCOc1ccc(Cc2cc([C@H]3[C@H](O)[C@@H](O)[C@H](O)CN3C(C)=O)ccc2Cl)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][Ring1][=Branch2][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring1][C][Cl][C][=C][Ring2][Ring1][#Branch2]
InChI=1S/C22H26ClNO5/c1-3-29-17-7-4-14(5-8-17)10-16-11-15(6-9-18(16)23)20-22(28)21(27)19(26)12-24(20)13(2)25/h4-9,11,19-22,26-28H,3,10,12H2,1-2H3/t19-,20+,21+,22+/m1/s1
US20050004369A1_p0036_x0443_y0916_c00075
0024.cdx ChemDraw12060402342D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.4838 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 -1.9273 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8787 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 0.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4576 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8787 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 -0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8787 0.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 -0.4983 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 6 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 16 14 1 0 15 14 1 0 11 16 1 0 17 15 1 0 7 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 7 2 0 18 23 1 0 23 24 1 0 24 25 2 0 25 19 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 25 1 0 17 30 1 0 30 31 1 0 30 32 2 0 M END
O=C(O)CCSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
[O][=C][Branch1][C][O][C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI=1S/C28H22O3S/c29-27(30)16-17-32-18-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-5-3-6-25-24-4-1-2-7-26(24)31-28(23)25/h1-15H,16-18H2,(H,29,30)
US20080113922A1_p0023_x0350_y1614_c00064
00069001.cdx ChemDraw03250810532D 29 31 0 0 0 0 0 0 0 0999 V2000 -2.9131 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 1.8563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 0.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 1.4438 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 7 1 1 0 8 7 1 0 9 8 1 0 10 4 1 0 11 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 16 17 1 0 18 13 1 6 18 19 1 0 19 20 1 0 20 21 1 0 21 26 1 0 26 22 1 0 22 18 1 0 19 23 1 1 21 24 1 1 20 25 1 6 26 27 1 6 27 28 1 0 22 29 1 0 M END
CCOc1ccc(Cc2cc([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](OO)N3C)ccc2Cl)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][O][N][Ring1][O][C][=C][C][=C][Ring2][Ring1][C][Cl][C][=C][Ring2][Ring1][#Branch2]
InChI=1S/C21H26ClNO6/c1-3-28-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)17-18(24)19(25)20(26)21(29-27)23(17)2/h4-9,11,17-21,24-27H,3,10H2,1-2H3/t17-,18-,19+,20-,21+/m0/s1
US20070265270A1_p0034_x1487_y0703_c00137
0701.cdx ChemDraw10010714422D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.7862 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.0625 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 0.3572 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.8875 0.0000 N 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 0.3572 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8250 0.0000 N 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 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 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 -0.3572 -0.4125 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 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 3.2151 1.6500 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 1.7862 1.6500 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 2.5006 2.8875 0.0000 O 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 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 10 14 1 0 1 11 1 0 2 12 1 0 12 13 1 0 11 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 14 1 0 17 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 20 27 2 0 25 28 1 0 28 29 1 0 M END
COc1cccc(C2CN(c3cnnc4cc(OC)c(OC)cc34)C(=O)CO2)c1
[C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=C][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][O][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O]
InChI=1S/C21H21N3O5/c1-26-14-6-4-5-13(7-14)20-11-24(21(25)12-29-20)17-10-22-23-16-9-19(28-3)18(27-2)8-15(16)17/h4-10,20H,11-12H2,1-3H3
US20050054819A1_p0016_x1324_y2582_c00054
0430.cdx ChemDraw02050514462D 38 40 0 0 0 0 0 0 0 0999 V2000 -5.2246 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2246 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 -0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9025 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 0.8379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5674 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3602 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -0.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -1.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -0.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9025 0.5027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 1.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 0.8379 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 7 5 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 8 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 8 1 0 10 20 2 0 13 21 2 0 12 22 1 6 22 23 1 0 23 24 1 0 24 25 1 0 14 26 2 0 15 27 1 0 27 28 1 0 27 29 1 6 28 30 1 0 30 31 1 0 31 32 1 0 28 33 2 0 32 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 32 1 0 M END
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@@H](C)C(=O)OCc1ccccc1
[C][C][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C30H38N2O6/c1-3-4-17-25(26(33)27(34)31-22(2)28(35)37-21-24-15-9-6-10-16-24)32-29(36)38-30(18-11-12-19-30)20-23-13-7-5-8-14-23/h5-10,13-16,22,25H,3-4,11-12,17-21H2,1-2H3,(H,31,34)(H,32,36)/t22-,25-/m0/s1
US20050009817A1_p0016_x1367_y0665_c00055
0380.cdx ChemDraw12190419382D 45 50 0 0 0 0 0 0 0 0999 V2000 -2.7250 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -0.1679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 1.0696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 -0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 -0.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5194 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -1.4054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -1.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1329 -2.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 -3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 -3.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 -4.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 -3.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 -3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 -2.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 1.0696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9675 0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 0.6422 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0444 2.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 3.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8694 2.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 3.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 3.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 4.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 2.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 -0.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 -1.8179 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 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 2 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 11 2 0 7 16 1 0 16 17 1 0 16 18 1 6 18 19 1 0 19 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 9 26 1 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 27 2 0 28 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 29 1 0 33 35 1 0 30 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 18 43 1 0 43 44 2 0 43 45 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 40 41 42 M SBL 1 1 45 M SMT 1 CO2H M SBV 1 45 -4.5405 4.9387 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 43 44 45 M SBL 2 1 48 M SMT 2 CO2H M SBV 2 48 -4.6510 5.3512 M END
O=C(O)CCC(=O)c1cn(-c2nc(NC(Cc3ccccc3)C(=O)O)c3cc(-c4ccco4)ccc3n2)c2ccc(Br)cc12
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring2][Branch1][Ring1][#Branch1]
InChI=1S/C33H25BrN4O6/c34-21-9-11-27-22(17-21)24(28(39)12-13-30(40)41)18-38(27)33-36-25-10-8-20(29-7-4-14-44-29)16-23(25)31(37-33)35-26(32(42)43)15-19-5-2-1-3-6-19/h1-11,14,16-18,26H,12-13,15H2,(H,40,41)(H,42,43)(H,35,36,37)
US20060122222A1_p0024_x0472_y1090_c00066
0670.cdx ChemDraw04250616282D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.3564 1.3315 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 1.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 1.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0861 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 0.4774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.9623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 2.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 3.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -2.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2913 -0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 2.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 2.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 -3.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2093 -2.4415 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 6 2 0 6 7 1 0 7 2 2 0 5 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 8 1 0 11 13 1 0 9 14 1 0 13 15 1 0 15 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 15 22 1 0 22 24 1 0 23 24 1 0 19 25 1 0 25 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 22 23 24 M SBL 1 1 24 M SMT 1 OEt M SBV 1 24 -4.7290 3.2748 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OMe M SBV 2 27 -5.3120 2.3073 M END
CCOC(=O)CN1N=C(c2ccc(OC)cc2)CC1c1ccc(Br)cc1
[C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
InChI=1S/C20H21BrN2O3/c1-3-26-20(24)13-23-19(15-4-8-16(21)9-5-15)12-18(22-23)14-6-10-17(25-2)11-7-14/h4-11,19H,3,12-13H2,1-2H3
US20050182067A1_p0032_x0367_y0646_c00110
0620.cdx ChemDraw07100522432D 32 36 0 0 0 0 0 0 0 0999 V2000 -4.3761 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1258 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1258 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.5414 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 0.5414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -0.1805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6252 -1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -1.2633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6252 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8755 -0.1805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 -1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 -0.1805 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 2 7 1 0 8 5 1 0 9 8 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 9 1 0 8 15 1 6 12 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 22 20 1 0 23 22 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 26 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 27 1 0 M END
C[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1
[C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1]
InChI=1S/C25H25FN6/c1-18(19-4-7-21(26)8-5-19)31-11-13-32(14-12-31)25-16-24(28-17-29-25)30-22-9-6-20-3-2-10-27-23(20)15-22/h2-10,15-18H,11-14H2,1H3,(H,28,29,30)/t18-/m0/s1
US20060154945A1_p0012_x0404_y2159_c00034
0262.cdx ChemDraw05240615062D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.7697 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 1.3130 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -0.5986 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7391 -0.5986 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 2 6 1 0 5 7 1 0 3 8 1 0 7 9 1 0 7 10 1 0 7 11 1 0 M END
C[Si](C)(C)c1oc(Br)cc1Br
[C][Si][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][Br]
InChI=1S/C7H10Br2OSi/c1-11(2,3)7-5(8)4-6(9)10-7/h4H,1-3H3
US20050288357A1_p0057_x0482_y1175_c00111
0006.cdx ChemDraw11240510432D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.9131 -0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 0.5838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 1.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 2.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 1.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 -0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7994 -2.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6244 -2.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 -3.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 -3.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8506 -2.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 2.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 3.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 1.8213 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 1 1 0 4 6 2 0 7 3 1 0 8 7 1 0 9 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 2 15 1 6 16 15 2 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 17 23 1 0 12 24 1 0 24 25 2 0 24 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 24 25 26 M SBL 1 1 25 M SMT 1 CO2H M SBV 1 25 -2.4739 5.9157 M END
CCCCCC(O)/C=C/[C@@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
[C][C][C][C][C][C][Branch1][C][O][/C][=C][/C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
InChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19?/m1/s1
US20040229890A1_p0016_x0530_y1709_c00070
0362.cdx ChemDraw10200412582D 23 26 0 0 0 0 0 0 0 0999 V2000 -0.6348 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 0.3337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -0.9038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 -0.9038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 1.5712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 0.8858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2512 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -1.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 -0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 1.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 1.9837 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 2 0 8 9 1 0 9 10 2 0 10 2 1 0 5 11 1 0 3 12 1 0 9 13 1 0 13 14 1 0 14 15 2 0 15 10 1 0 13 16 1 0 8 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 17 1 0 12 22 1 0 12 23 1 0 M END
CN(C)c1nc(N)nc2cc(-c3ccco3)c3c(ccn3C)c12
[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][#C]
InChI=1S/C17H17N5O/c1-21(2)16-14-10-6-7-22(3)15(10)11(13-5-4-8-23-13)9-12(14)19-17(18)20-16/h4-9H,1-3H3,(H2,18,19,20)
US20050002859A1_p0024_x0336_y0622_c00118
0332.cdx ChemDraw12030407362D 53 56 0 0 0 0 0 0 0 0999 V2000 1.1072 2.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8356 2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 3.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 3.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9121 3.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 2.0338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1711 1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 0.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 -1.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -3.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5281 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 -3.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 -2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -4.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 -3.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 -3.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 -3.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 -3.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -2.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5487 -2.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 -3.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -2.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4621 -2.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9289 -2.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 -3.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1905 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6573 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2669 -3.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9633 -4.0561 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7362 -4.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 -3.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 -3.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 4.2658 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 4.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 4.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 3.6825 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 1 7 1 0 7 8 2 0 8 9 1 0 9 2 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 9 17 1 0 9 18 1 0 7 19 1 0 19 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 23 15 1 0 21 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 22 2 0 23 28 1 0 23 29 1 0 30 16 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 39 42 1 0 40 43 1 0 40 44 1 0 40 45 1 0 26 46 1 0 46 47 2 0 46 48 2 0 46 49 1 0 4 50 1 0 50 51 2 0 50 52 2 0 50 53 1 0 A 38 (CH2)q M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 46 47 48 49 M SBL 1 1 49 M SMT 1 SO3H M SBV 1 49 -4.5174 7.1797 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 50 51 52 53 M SBL 2 1 53 M SMT 2 SO3H M SBV 2 53 -4.7773 7.9205 M END
null
null
null
US20040266789A1_p0051_x0466_y0684_c00084
1540.cdx ChemDraw11280401592D 31 35 0 0 0 0 0 0 0 0999 V2000 -2.8493 1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 0.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0647 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5798 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0647 1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 -2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 -2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 2.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5063 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 2.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 0.7007 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 1.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 1.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 -0.4262 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 1 0 3 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 5 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 1 2 0 4 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 26 1 0 26 27 1 0 27 23 1 0 26 28 1 0 25 29 1 0 26 30 1 0 25 31 1 0 M END
CC1(C)OB(c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)OC1(C)C
[C][C][Branch1][C][C][O][B][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][O][C][Ring2][Ring1][N][Branch1][C][C][C]
InChI=1S/C27H27BO3/c1-26(2)27(3,4)31-28(30-26)21-16-14-20(15-17-21)25-22-12-8-9-13-23(22)29-24(25)18-19-10-6-5-7-11-19/h5-17H,18H2,1-4H3
US20050182067A1_p0026_x1586_y1042_c00010
0511.cdx ChemDraw07130515462D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.8250 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 -0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 0.0000 N 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 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.2375 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2375 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.8250 0.0000 R2 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 3 8 1 0 5 9 1 0 9 10 1 0 A 2 X M END
[1*]c1cc([3*])nc(N[2*])c1
null
US20070105909A1_p0021_x0455_y2151_c00041
0008.cdx ChemDraw03290720032D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 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 5 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 2 11 1 0 11 12 3 0 6 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 1 1 0 M END
CC(C)(C)c1ccc(C#N)c2ccccc12
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1]
InChI=1S/C15H15N/c1-15(2,3)14-9-8-11(10-16)12-6-4-5-7-13(12)14/h4-9H,1-3H3
US20070265270A1_p0028_x1487_y1891_c00113
0600.cdx ChemDraw10010712332D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.2687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.2687 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 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 11 20 1 0 16 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 M END
COc1cc2nncc(N3CCOC(c4ccccc4)C3)c2cc1OC
[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Ring1][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][O][C]
InChI=1S/C20H21N3O3/c1-24-18-10-15-16(11-19(18)25-2)22-21-12-17(15)23-8-9-26-20(13-23)14-6-4-3-5-7-14/h3-7,10-12,20H,8-9,13H2,1-2H3
US20070155803A1_p0017_x1343_y2154_c00025
0390.cdx ChemDraw05240721342D 37 39 0 0 0 0 0 0 0 0999 V2000 -2.4210 -0.1882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 1.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 -0.1882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 1.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 -1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 1.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 1.8743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 3.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 2.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -2.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 -3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 -3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 -2.6632 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 10 14 1 1 14 15 1 0 16 15 1 0 6 23 1 6 1 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 18 21 1 6 21 22 1 0 15 24 2 0 24 25 1 0 25 26 1 0 26 16 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 16 1 0 31 32 1 0 32 23 1 0 31 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 31 1 0 M END
CC[C@H](N)C(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O]
InChI=1S/C26H33N7O4/c1-2-19(27)24(35)32-33-26(37)31-21(13-12-16-8-4-3-5-9-16)25(36)30-22(23(28)34)14-17-15-29-20-11-7-6-10-18(17)20/h3-11,15,19,21-22,29H,2,12-14,27H2,1H3,(H2,28,34)(H,30,36)(H,32,35)(H2,31,33,37)/t19-,21-,22-/m0/s1
US20070155803A1_p0025_x0466_y2360_c00058
0521.cdx ChemDraw05240721592D 18 18 0 0 0 0 0 0 0 0999 V2000 -3.5724 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2375 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 2 12 1 1 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 10 18 1 0 M END
CC(NC(=O)NNC(=O)[C@H](C)N)c1ccccc1
[C][C][Branch1][P][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C12H18N4O2/c1-8(13)11(17)15-16-12(18)14-9(2)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3,(H,15,17)(H2,14,16,18)/t8-,9?/m0/s1
US20050043351A1_p0020_x0450_y1126_c00068
0180.cdx ChemDraw01300508442D 27 30 0 0 0 0 0 0 0 0999 V2000 1.2333 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 -0.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -0.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 1.1653 0.0000 R12 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 0.3403 0.0000 R11 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -1.3097 0.0000 R10 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 -2.1347 0.0000 R9 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 0.8972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 0.8972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 2.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1072 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1072 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8918 -0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 -0.7528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8918 -1.4202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3043 0.6291 0.0000 R1 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 2 1 0 6 10 1 0 5 11 1 0 4 12 1 0 3 13 1 0 7 14 1 6 14 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 19 24 1 0 24 25 2 0 25 26 1 0 26 20 1 0 24 27 1 0 M END
[1*]c1n[nH]c2cccc(NC(=O)N[C@H]3CCc4c([9*])c([10*])c([11*])c([12*])c43)c12
null
US20040254236A1_p0047_x0473_y0681_c00180
0018.cdx ChemDraw11220411142D 39 43 0 0 0 0 0 0 0 0999 V2000 -5.4390 -1.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -2.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -2.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 -1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -0.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 -1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -2.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 -1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 -1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 -0.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.7056 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 -0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 -1.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -0.6497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8452 -1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4286 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 -0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8348 1.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 1.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 2.0107 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 2.5941 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 1.0003 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 1 1 0 3 4 1 0 4 5 1 0 5 6 2 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 7 2 0 10 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 15 2 0 18 20 1 0 17 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 25 2 0 20 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 20 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 M END
Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2ccccc2C(F)(F)F)c(C(=O)NCc2ccccc2)s1
[C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=N][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
InChI=1S/C29H25F3N4O2S/c1-17-11-12-19(26(37)34-20-13-14-20)15-23(17)35-28-36-24(21-9-5-6-10-22(21)29(30,31)32)25(39-28)27(38)33-16-18-7-3-2-4-8-18/h2-12,15,20H,13-14,16H2,1H3,(H,33,38)(H,34,37)(H,35,36)
US20080113922A1_p0018_x1306_y2345_c00055
00060001.cdx ChemDraw03250810452D 37 39 0 0 0 0 0 0 0 0999 V2000 -2.9740 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 2.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9566 2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3304 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3304 2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 2.2894 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -0.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3304 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 1.1447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 -0.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 0.7631 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 7 1 1 0 8 7 1 0 9 8 1 0 10 4 1 0 11 10 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 11 2 0 16 17 1 0 18 13 1 6 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 18 1 0 19 24 1 1 21 34 1 1 20 25 1 6 24 26 1 0 26 27 1 0 26 28 2 0 25 29 1 0 29 30 1 0 29 31 2 0 22 32 1 6 32 33 1 0 35 34 1 0 36 35 1 0 35 37 2 0 M END
CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2Cl)cc1
[C][C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C@H1][Branch1][Ring1][S][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][S][O][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring1][#Branch2][Cl][C][=C][Ring2][Ring2][C]
InChI=1S/C27H31ClO8S/c1-6-32-21-10-7-18(8-11-21)13-20-14-19(9-12-22(20)28)23-24(33-15(2)29)25(34-16(3)30)26(35-17(4)31)27(36-23)37-5/h7-12,14,23-27H,6,13H2,1-5H3/t23-,24-,25+,26-,27+/m0/s1
US20060122222A1_p0027_x1323_y2575_c00081
0770.cdx ChemDraw04250619552D 40 44 0 0 0 0 0 0 0 0999 V2000 -2.3163 0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -0.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 -0.5840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2055 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 0.5840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 1.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0345 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 2.4027 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 -0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -0.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0345 -1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 -1.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 -2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0554 -2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1227 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 1.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 0.6252 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -1.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8476 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 1.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3581 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0554 0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 1.2034 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 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 2 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 16 19 1 0 19 20 1 0 4 21 1 0 21 22 1 0 22 23 1 0 22 24 2 0 23 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 23 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 31 1 0 30 36 2 0 30 37 2 0 35 38 1 0 38 39 1 0 38 40 2 0 M END
CCc1ccc(-c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4C(=O)O)cc3)nc2-c2ccc(Cl)cc2)cc1
[C][C][C][=C][C][=C][Branch2][Branch1][#Branch2][C][S][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][P][=N][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][=Branch1]
InChI=1S/C29H26ClN3O5S2/c1-2-18-5-7-20(8-6-18)26-25(19-9-13-22(30)14-10-19)31-29(39-26)32-27(34)21-11-15-23(16-12-21)40(37,38)33-17-3-4-24(33)28(35)36/h5-16,24H,2-4,17H2,1H3,(H,35,36)(H,31,32,34)
US20050227932A1_p0028_x0404_y2347_c00037
0621.cdx ChemDraw09070517342D 38 41 0 0 0 0 0 0 0 0999 V2000 -1.1756 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1756 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 -0.0593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6317 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 1.6109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4567 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6045 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9317 0.6840 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 -1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 -1.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -2.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5513 -2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 -2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -2.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -3.6317 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 -1.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -0.1410 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 -0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 3.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 3.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5514 3.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -3.6317 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 7 1 0 7 1 1 0 5 8 1 0 7 9 1 0 1 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 2 2 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 8 1 0 16 19 1 0 4 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 24 27 1 0 3 28 2 0 12 29 1 0 6 30 2 0 20 31 1 0 9 32 1 0 35 33 1 0 33 34 1 0 32 35 1 0 34 36 2 0 34 37 1 0 25 38 1 0 M END
CC(c1ccc(Cl)c(Cl)c1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)C1c1ccc(Cl)cc1
[C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C28H24Cl3IN2O4/c1-16(18-7-11-22(30)23(31)14-18)34-26(17-5-8-19(29)9-6-17)28(38)33(13-3-2-4-25(35)36)24-12-10-20(32)15-21(24)27(34)37/h5-12,14-16,26H,2-4,13H2,1H3,(H,35,36)
US20050288357A1_p0026_x0484_y0828_c00054
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)cc1
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI=1S/C23H24ClNO4/c24-19-3-1-2-17(14-19)15-21(26)10-8-20-9-11-22(27)25(20)13-12-16-4-6-18(7-5-16)23(28)29/h1-8,10,14,20-21,26H,9,11-13,15H2,(H,28,29)/b10-8+/t20-,21+/m0/s1
US20050227932A1_p0040_x1375_y0982_c00076
0920.cdx ChemDraw09090515112D 37 40 0 0 0 0 0 0 0 0999 V2000 -1.1247 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4797 -0.5359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 -0.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6826 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 1.1343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4797 1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 1.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 0.3910 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 2.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 4.9052 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 -2.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -2.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 -3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -4.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2807 -4.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5182 -4.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2681 1.2160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 2.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 3.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 3.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 3.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 1.5041 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 1 1 0 5 8 1 1 1 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 2 0 8 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 8 1 0 3 18 1 0 15 19 1 0 6 20 1 0 7 21 2 0 18 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 2 0 10 29 1 0 29 30 1 0 20 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 31 1 0 34 22 1 0 20 37 1 1 M END
CSc1ccc2c(c1)C(=O)N([C@H](C)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)CN2CCCCC(=O)O
[C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][S][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][=Branch2][C][C][C][C][C][=Branch1][C][=O][O]
InChI=1S/C29H30Cl2N2O3S/c1-19(20-6-10-22(30)11-7-20)33-27(21-8-12-23(31)13-9-21)18-32(16-4-3-5-28(34)35)26-15-14-24(37-2)17-25(26)29(33)36/h6-15,17,19,27H,3-5,16,18H2,1-2H3,(H,34,35)/t19-,27-/m1/s1
US20030130506A1_p0008_x1381_y1349_c00031
0190.mol ChemDraw02280318042D 23 24 0 0 0 0 0 0 0 0999 V2000 -3.2852 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -0.2063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 1.0312 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3977 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8102 0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0477 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8102 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 1.7457 0.0000 Ar 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -1.4437 0.0000 X 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 -1.0312 0.0000 W 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9668 -1.0312 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 -1.8562 0.0000 R2 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 4 6 1 0 6 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 2 0 14 15 1 0 15 10 2 0 13 16 1 0 16 17 1 0 4 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 6 1 0 18 22 1 0 18 23 1 0 M END
null
null
null
US20070155803A1_p0023_x1401_y0733_c00049
0482.cdx ChemDraw05240721532D 18 18 0 0 0 0 0 0 0 0999 V2000 -3.9296 -0.0000 0.0000 N 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 -2.5006 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0000 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 -0.3572 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.0000 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 1.7862 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 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 2.5006 -1.2375 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 3.2151 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 3.9296 -1.2375 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 3 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 2 12 1 1 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 15 18 1 0 M END
C[C@H](N)C(=O)NNC(=O)NCc1ccc(Cl)cc1
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C11H15ClN4O2/c1-7(13)10(17)15-16-11(18)14-6-8-2-4-9(12)5-3-8/h2-5,7H,6,13H2,1H3,(H,15,17)(H2,14,16,18)/t7-/m0/s1
US20060154945A1_p0015_x1375_y1092_c00050
0331.cdx ChemDraw06010609172D 23 27 0 0 0 0 0 0 0 0999 V2000 3.6674 -1.3492 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 -0.2693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8827 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 -0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 -0.2693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6674 -0.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 -0.0828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 1.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -0.5242 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 4 6 1 0 6 7 1 0 7 23 1 0 23 8 2 0 8 9 1 0 9 6 2 0 10 14 1 0 10 12 1 0 11 15 1 0 11 13 1 0 12 13 1 0 14 15 1 0 13 20 1 0 14 16 1 0 20 16 1 1 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 17 1 0 18 22 2 0 17 23 1 0 M END
O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2cscn2)s1
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][S][Ring1][#Branch2]
InChI=1S/C16H17N3O2S2/c20-15-19(14-2-1-13(23-14)12-7-22-10-17-12)9-16(21-15)8-18-5-3-11(16)4-6-18/h1-2,7,10-11H,3-6,8-9H2/t16-/m1/s1
US20060154945A1_p0019_x1376_y1264_c00073
0420.cdx ChemDraw05270608272D 12 13 0 0 0 0 0 0 0 0999 V2000 0.3890 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 -1.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 -0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8179 1.5745 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 1 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 7 2 0 8 12 1 0 M END
Brc1coc(-c2ccncc2)c1
[Br][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][O]
InChI=1S/C9H6BrNO/c10-8-5-9(12-6-8)7-1-3-11-4-2-7/h1-6H
US20050002859A1_p0016_x0451_y1771_c00095
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[2*]C(=O)NCc1c(C)n(Cc2ccc([9*])cc2)c2ccc(OC)cc12
null
US20050288357A1_p0049_x1474_y0768_c00091
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CCCCC(O)C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)OC)cc1
[C][C][C][C][C][Branch1][C][O][C][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2]
InChI=1S/C22H31NO4/c1-3-4-7-20(24)8-5-6-19-13-14-21(25)23(19)16-15-17-9-11-18(12-10-17)22(26)27-2/h5-6,9-12,19-20,24H,3-4,7-8,13-16H2,1-2H3/b6-5+/t19-,20?/m0/s1
US20050267177A1_p0027_x0356_y2054_c00096
0850.cdx ChemDraw10230507232D 34 37 0 0 0 0 0 0 0 0999 V2000 -0.8107 2.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8107 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 2.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 3.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 1.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 2.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 3.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 3.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3217 -1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5248 -1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3113 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2003 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 0.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9645 2.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 -2.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -3.1635 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 2 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 8 20 1 0 20 27 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 21 30 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 27 1 0 32 28 1 0 25 33 1 0 34 33 1 0 M END
COc1cccc(-c2nc(COC3CCCC(OCc4cccc(C)c4C(=O)O)C3)c(C)o2)c1
[C][O][C][=C][C][=C][C][Branch2][Ring2][#C][C][=N][C][Branch2][Ring1][P][C][O][C][C][C][C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=C][Branch1][C][C][O][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S]
InChI=1S/C27H31NO6/c1-17-7-4-9-20(25(17)27(29)30)15-32-22-11-6-12-23(14-22)33-16-24-18(2)34-26(28-24)19-8-5-10-21(13-19)31-3/h4-5,7-10,13,22-23H,6,11-12,14-16H2,1-3H3,(H,29,30)
US20070155803A1_p0026_x0456_y0690_c00061
0531.cdx ChemDraw05240722012D 21 21 0 0 0 0 0 0 0 0999 V2000 -3.2151 -0.8250 0.0000 N 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 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 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 0.3572 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8250 0.0000 N 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 -0.8250 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 -1.6500 0.0000 C 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 3.9296 -1.6500 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 3.2151 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.4125 0.0000 Cl 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 -3.2151 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 2.0625 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 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 2 12 1 1 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 17 18 1 0 12 19 1 0 19 20 1 0 20 21 1 0 M END
CCCC[C@H](N)C(=O)NNC(=O)NCc1ccccc1Cl
[C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI=1S/C14H21ClN4O2/c1-2-3-8-12(16)13(20)18-19-14(21)17-9-10-6-4-5-7-11(10)15/h4-7,12H,2-3,8-9,16H2,1H3,(H,18,20)(H2,17,19,21)/t12-/m0/s1
US20070105909A1_p0034_x1439_y1255_c00108
0522.cdx ChemDraw03260715472D 24 25 0 0 0 0 0 0 0 0999 V2000 1.0332 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 -0.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 0.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5082 -1.4044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1602 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 -1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -1.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 -1.2535 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 -0.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 -1.9680 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 4 7 1 0 2 8 1 0 1 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 13 16 1 0 16 17 3 0 12 18 1 0 7 19 1 0 9 20 1 0 14 21 1 0 8 22 1 0 22 23 2 0 22 24 1 0 M END
CCc1nn(CS(C)=O)c(CC)c1Oc1cc(C)c(C#N)c(C)c1
[C][C][C][=N][N][Branch1][#Branch1][C][S][Branch1][C][C][=O][C][Branch1][Ring1][C][C][=C][Ring1][O][O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][#Branch2]
InChI=1S/C18H23N3O2S/c1-6-16-18(17(7-2)21(20-16)11-24(5)22)23-14-8-12(3)15(10-19)13(4)9-14/h8-9H,6-7,11H2,1-5H3
US20070155803A1_p0028_x1365_y0762_c00067
0590.cdx ChemDraw05240722072D 27 28 0 0 0 0 0 0 0 0999 V2000 -4.2868 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 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 3 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 2 12 1 1 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 17 18 1 0 12 19 1 0 18 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 21 26 1 0 26 27 1 0 M END
CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1Sc1ccccc1CO
[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O]
InChI=1S/C19H24N4O3S/c1-2-15(20)18(25)22-23-19(26)21-11-13-7-3-5-9-16(13)27-17-10-6-4-8-14(17)12-24/h3-10,15,24H,2,11-12,20H2,1H3,(H,22,25)(H2,21,23,26)/t15-/m0/s1
US20050288357A1_p0053_x1469_y2152_c00104
1020.cdx ChemDraw11280510482D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.4249 -0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 -1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -0.2830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 0.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 0.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -3.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 -2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -2.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -3.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7645 0.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 1.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 3.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 1 1 0 2 3 1 0 5 6 2 0 3 7 1 1 7 8 2 0 8 9 1 0 9 10 1 6 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 1 0 17 13 1 0 14 15 1 0 4 18 1 0 18 19 1 0 19 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 2 0 26 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 26 27 28 M SBL 1 1 28 M SMT 1 CO2H M SBV 1 28 -4.9784 3.3949 M END
O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC2CCCC2)cc1
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI=1S/C23H31NO4/c25-21(12-7-17-3-1-2-4-17)13-10-20-11-14-22(26)24(20)16-15-18-5-8-19(9-6-18)23(27)28/h5-6,8-10,13,17,20-21,25H,1-4,7,11-12,14-16H2,(H,27,28)/b13-10+/t20-,21-/m0/s1