Datasets:
hheiden
/
USPTO_OCSR_benchmark

Dataset card Data Studio Files
xet
Community
id
stringlengths
26
26
image
imagewidth (px)
118
1.88k
mol
stringlengths
951
16k
smiles
stringlengths
12
280
⌀
selfies
stringlengths
42
1.15k
⌀
inchi
stringlengths
45
896
⌀
USRE039991-20080101-C00376
0290.cdx ChemDraw09270719142D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.5013 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -0.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 1.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 -0.4137 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 0.8213 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 M END
O=C(NCc1ccccn1)c1nc(Br)ccc1O
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C12H10BrN3O2/c13-10-5-4-9(17)11(16-10)12(18)15-7-8-3-1-2-6-14-8/h1-6,17H,7H2,(H,15,18)
USRE039991-20080101-C00377
0291.cdx ChemDraw09270719152D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.4217 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4362 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 0.8225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 -0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -0.9719 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 14 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 13 1 0 15 18 1 0 M END
O=C(NCc1sccc1Cl)c1nc(Br)ccc1O
[O][=C][Branch1][O][N][C][C][S][C][=C][C][=Ring1][Branch1][Cl][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C11H8BrClN2O2S/c12-9-2-1-7(16)10(15-9)11(17)14-5-8-6(13)3-4-18-8/h1-4,16H,5H2,(H,14,17)
USRE039991-20080101-C00378
0292.cdx ChemDraw09270719162D 22 24 0 0 0 0 0 0 0 0999 V2000 -2.5013 0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -1.0300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.6175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 -1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 -1.0300 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 0.6224 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 13 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 18 1 0 M END
O=C(NCC1CCCc2ccccc21)c1nc(Br)ccc1O
[O][=C][Branch1][P][N][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C17H17BrN2O2/c18-15-9-8-14(21)16(20-15)17(22)19-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-2,4,7-9,12,21H,3,5-6,10H2,(H,19,22)
USRE039991-20080101-C00379
0293.cdx ChemDraw09270719162D 21 22 0 0 0 0 0 0 0 0999 V2000 -3.2162 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -0.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 1.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9306 -0.4137 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2162 1.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 0.8201 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 11 19 1 0 16 20 1 0 20 21 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OMe M SBV 1 21 -3.5252 3.6109 M END
COc1ccc(C(C)NC(=O)c2nc(Br)ccc2O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1]
InChI=1S/C15H15BrN2O3/c1-9(10-3-5-11(21-2)6-4-10)17-15(20)14-12(19)7-8-13(16)18-14/h3-9,19H,1-2H3,(H,17,20)
USRE039991-20080101-C00380
0294.cdx ChemDraw09270719162D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.8589 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 -0.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 1.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 -0.4137 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 1.2326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 11 19 1 0 16 20 1 0 M END
CC(NC(=O)c1nc(Br)ccc1O)c1ccc(Cl)cc1
[C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C14H12BrClN2O2/c1-8(9-2-4-10(16)5-3-9)17-14(20)13-11(19)6-7-12(15)18-13/h2-8,19H,1H3,(H,17,20)
USRE039991-20080101-C00381
0295.cdx ChemDraw09270719172D 23 24 0 0 0 0 0 0 0 0999 V2000 -3.2162 0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -0.7679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 0.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.3554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -1.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9306 -0.7679 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2162 0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 1.5929 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 1.2909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 0.1639 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 11 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 20 21 22 23 M SBL 1 1 21 M SMT 1 CF3 M SBV 1 21 -3.5252 3.2568 M END
CC(NC(=O)c1nc(Br)ccc1O)c1ccc(C(F)(F)F)cc1
[C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI=1S/C15H12BrF3N2O2/c1-8(9-2-4-10(5-3-9)15(17,18)19)20-14(23)13-11(22)6-7-12(16)21-13/h2-8,22H,1H3,(H,20,23)
USRE039991-20080101-C00382
0296.cdx ChemDraw09270719172D 24 25 0 0 0 0 0 0 0 0999 V2000 -4.2879 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2879 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 -0.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 -0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 1.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -0.0012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 -0.4137 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 0.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 1.2277 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 11 19 1 0 16 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END
CCCCCc1ccc(C(C)NC(=O)c2nc(Br)ccc2O)cc1
[C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1]
InChI=1S/C19H23BrN2O2/c1-3-4-5-6-14-7-9-15(10-8-14)13(2)21-19(24)18-16(23)11-12-17(20)22-18/h7-13,23H,3-6H2,1-2H3,(H,21,24)
USRE039991-20080101-C00383
0297.cdx ChemDraw09280709332D 26 28 0 0 0 0 0 0 0 0999 V2000 -4.0211 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0211 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3066 -0.8435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3066 0.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 0.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1632 -0.4310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7355 -0.8435 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 -0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 0.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0855 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7355 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 1.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 1.6685 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 11 19 1 0 16 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 21 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 20 21 22 23 24 25 26 M SBL 1 1 21 M SMT 1 OPh M SBV 1 21 -4.4808 3.3324 M END
CC(NC(=O)c1nc(Br)ccc1O)c1ccc(Oc2ccccc2)cc1
[C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI=1S/C20H17BrN2O3/c1-13(22-20(25)19-17(24)11-12-18(21)23-19)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-13,24H,1H3,(H,22,25)
USRE039991-20080101-C00384
0298.cdx ChemDraw09280709342D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.7869 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -0.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 0.1490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -1.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 -0.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -0.2635 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 0.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -0.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0298 -0.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9601 0.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 0.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 -1.3865 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 2 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 14 19 1 0 11 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 20 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 14 15 16 17 18 19 M SBL 1 1 14 M SMT 1 Ph M SBV 1 14 -2.8664 3.5088 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 20 21 22 23 24 25 M SBL 2 1 21 M SMT 2 Ph M SBV 2 21 -3.2240 3.3029 M END
O=C(NC(Cc1ccccc1)c1ccccc1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C20H17BrN2O2/c21-18-12-11-17(24)19(23-18)20(25)22-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-12,16,24H,13H2,(H,22,25)
USRE039991-20080101-C00385
0299.cdx ChemDraw09280709342D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.4214 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 1.1270 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 18 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 21 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -3.7311 2.7393 M END
O=C(Nc1ccccc1Oc1cccc(C(F)(F)F)c1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-13-6-1-2-7-15(13)28-12-5-3-4-11(10-12)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00386
0300.cdx ChemDraw09280709352D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.5724 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.1822 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 2.4197 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.1178 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 0.9908 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 18 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 22 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -3.8821 3.2070 M END
O=C(Nc1ccccc1Oc1ccc(C(F)(F)F)cc1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-10-9-14(26)17(25-16)18(27)24-13-3-1-2-4-15(13)28-12-7-5-11(6-8-12)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00387
0301.cdx ChemDraw09280709362D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.6276 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 1.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 0.8250 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 19 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -4.6518 4.3893 M END
O=C(Nc1cccc(Oc2ccccc2C(F)(F)F)c1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-9-8-14(26)17(25-16)18(27)24-11-4-3-5-12(10-11)28-15-7-2-1-6-13(15)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00388
0302.cdx ChemDraw09280709362D 28 30 0 0 0 0 0 0 0 0999 V2000 -4.2868 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 N 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 -2.8579 1.0313 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 -2.1434 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.2062 0.0000 Br 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 0.0000 -1.4437 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 0.7145 -0.2062 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 1.4289 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 0.9207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.6188 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.5082 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 16 18 1 0 18 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 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -4.5965 4.1830 M END
O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-8-7-15(26)17(25-16)18(27)24-12-4-2-6-14(10-12)28-13-5-1-3-11(9-13)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00389
0303.cdx ChemDraw09280709362D 28 30 0 0 0 0 0 0 0 0999 V2000 -4.1358 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8503 0.1510 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 -1.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -0.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -0.3720 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 16 18 1 0 18 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 22 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -4.4455 3.7152 M END
O=C(Nc1cccc(Oc2ccc(C(F)(F)F)cc2)c1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-9-8-15(26)17(25-16)18(27)24-12-2-1-3-14(10-12)28-13-6-4-11(5-7-13)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00390
0304.cdx ChemDraw09280709382D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.6276 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7697 0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 0.2062 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 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 -1.0313 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 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 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 3.5171 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 0.2062 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 2.0881 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -1.8563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -1.0313 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -1.8563 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 15 24 1 0 19 24 1 0 20 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -4.6518 3.3580 M END
O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-10-9-14(26)17(25-16)18(27)24-11-5-7-12(8-6-11)28-15-4-2-1-3-13(15)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00391
0305.cdx ChemDraw09280709382D 28 30 0 0 0 0 0 0 0 0999 V2000 -4.1358 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7069 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8503 0.1510 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 -1.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -0.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -0.3720 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 15 24 1 0 19 24 1 0 21 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -4.4455 3.7152 M END
O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-9-8-15(26)17(25-16)18(27)24-12-4-6-13(7-5-12)28-14-3-1-2-11(10-14)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00392
0306.cdx ChemDraw09280709382D 28 30 0 0 0 0 0 0 0 0999 V2000 -4.2868 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.2062 0.0000 N 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 -2.8579 1.0313 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 -2.1434 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.2062 0.0000 Br 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 0.0000 -1.4437 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 0.7145 -0.2062 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 0.9207 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.6188 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.5082 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 15 24 1 0 19 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 27 M SMT 1 CF3 M SBV 1 27 -4.5965 4.1830 M END
O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1nc(Br)ccc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]
InChI=1S/C19H12BrF3N2O3/c20-16-10-9-15(26)17(25-16)18(27)24-12-3-7-14(8-4-12)28-13-5-1-11(2-6-13)19(21,22)23/h1-10,26H,(H,24,27)
USRE039991-20080101-C00393
0307.cdx ChemDraw09280709392D 26 28 0 0 0 0 0 0 0 0999 V2000 -4.3421 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 1.4437 0.0000 O 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 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1987 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 -0.2062 0.0000 Br 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 -0.7697 -1.0313 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 0.6592 -1.0313 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 -0.0553 0.2062 0.0000 C 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 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -1.0313 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 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -1.4437 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 12 1 0 2 11 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 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 16 24 1 0 18 24 1 0 21 25 1 0 25 26 3 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 CN M SBV 1 27 -4.6518 3.3580 M END
N#Cc1ccc(Oc2cccc(NC(=O)c3nc(Br)ccc3O)c2)cc1
[N][#C][C][=C][C][=C][Branch2][Ring1][=C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=C][Ring1][P][C][=C][Ring2][Ring1][Branch2]
InChI=1S/C19H12BrN3O3/c20-17-9-8-16(24)18(23-17)19(25)22-13-2-1-3-15(10-13)26-14-6-4-12(11-21)5-7-14/h1-10,24H,(H,22,25)
USRE039991-20080101-C00394
0308.cdx ChemDraw09280711012D 41 44 0 0 0 0 0 0 0 0999 V2000 -4.6343 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6343 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3487 -0.7134 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5626 1.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 1.1429 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 4 8 1 0 8 9 1 0 8 10 2 0 2 11 1 0 12 9 1 6 12 13 1 0 13 14 1 0 15 16 1 0 16 12 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 15 1 0 16 21 2 0 17 22 2 0 20 23 1 1 18 24 1 1 19 25 1 6 25 26 1 0 26 27 1 0 26 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 27 1 0 24 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 34 39 1 0 6 40 1 0 40 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 34 35 36 37 38 39 M SBL 1 1 36 M SMT 1 Ph M SBV 1 36 -4.8334 3.2634 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 43 M SMT 2 OMe M SBV 2 43 -5.3012 3.8821 M END
COc1cc(Br)nc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C3CCCCC3)[C@H](C)OC2=O)c1O
[C][O][C][=C][C][Branch1][C][Br][=N][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][C][C][O][C][Ring2][Ring1][O][=O][=C][Ring2][Ring2][=Branch1][O]
InChI=1S/C29H33BrN2O9/c1-16-25(41-27(35)18-11-7-4-8-12-18)19(13-17-9-5-3-6-10-17)28(36)39-15-20(29(37)40-16)31-26(34)23-24(33)21(38-2)14-22(30)32-23/h3,5-6,9-10,14,16,18-20,25,33H,4,7-8,11-13,15H2,1-2H3,(H,31,34)/t16-,19+,20-,25-/m0/s1
USRE039991-20080101-C00395
0309.cdx ChemDraw09280710002D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.8149 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2754 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2754 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.1299 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 13 18 1 0 15 19 1 0 13 20 1 0 M END
CC1(C)CC(NC(=O)c2cnccc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-9-17-6-5-13(12)19/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)
USRE039991-20080101-C00396
0310.cdx ChemDraw09280710002D 35 37 0 0 0 0 0 0 0 0999 V2000 -4.7852 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -4.0944 3.2634 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cnccc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C25H28N2O8/c1-14(2)23(30)35-21-15(3)34-25(32)19(27-22(29)18-12-26-10-9-20(18)28)13-33-24(31)17(21)11-16-7-5-4-6-8-16/h4-10,12,14-15,17,19,21H,11,13H2,1-3H3,(H,26,28)(H,27,29)/t15-,17+,19-,21-/m0/s1
USRE039991-20080101-C00397
0311.cdx ChemDraw09280710012D 20 21 0 0 0 0 0 0 0 0999 V2000 -3.4914 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -0.4125 0.0000 C 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 -2.7770 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6335 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 14 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 M END
CC(C)(C)C1CCC(NC(=O)c2cnccc2O)CC1
[C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S]
InChI=1S/C16H24N2O2/c1-16(2,3)11-4-6-12(7-5-11)18-15(20)13-10-17-9-8-14(13)19/h8-12H,4-7H2,1-3H3,(H,17,19)(H,18,20)
USRE039991-20080101-C00398
0312.cdx ChemDraw09280710022D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.7493 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -1.3007 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 M END
CC1(C)CC(NC(=O)c2ccncc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-5-6-17-9-13(12)19/h5-6,9,11,19H,7-8,10H2,1-4H3,(H,18,20)
USRE039991-20080101-C00399
0313.cdx ChemDraw09280710042D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.9960 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 0.5082 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 12 17 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 12 13 14 15 16 17 M SBL 1 1 12 M SMT 1 Ph M SBV 1 12 -2.3605 3.7705 M END
O=C(NCc1ccccc1)c1ccncc1O
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][O]
InChI=1S/C13H12N2O2/c16-12-9-14-7-6-11(12)13(17)15-8-10-4-2-1-3-5-10/h1-7,9,16H,8H2,(H,15,17)
USRE039991-20080101-C00400
0314.cdx ChemDraw09280710042D 18 19 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 -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 -1.7862 -0.0000 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 -1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 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 15 18 1 0 M END
O=C(NCc1ccc(Cl)cc1)c1ccncc1O
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][O]
InChI=1S/C13H11ClN2O2/c14-10-3-1-9(2-4-10)7-16-13(18)11-5-6-15-8-12(11)17/h1-6,8,17H,7H2,(H,16,18)
USRE039991-20080101-C00401
0315.cdx ChemDraw09280710042D 20 21 0 0 0 0 0 0 0 0999 V2000 -3.5724 0.8250 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 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 -1.4289 1.2375 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 -0.7145 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 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 -0.0000 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 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 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 2.8579 1.2375 0.0000 O 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 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 11 18 1 0 15 19 1 0 19 20 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OMe M SBV 1 20 -2.9920 3.9768 M END
COc1ccc(C(C)NC(=O)c2ccncc2O)cc1
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C]
InChI=1S/C15H16N2O3/c1-10(11-3-5-12(20-2)6-4-11)17-15(19)13-7-8-16-9-14(13)18/h3-10,18H,1-2H3,(H,17,19)
USRE039991-20080101-C00402
0316.cdx ChemDraw09280710052D 19 20 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 -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 -1.7862 -0.0000 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 -1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.2375 0.0000 Cl 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 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 15 18 1 0 11 19 1 0 M END
CC(NC(=O)c1ccncc1O)c1ccc(Cl)cc1
[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C14H13ClN2O2/c1-9(10-2-4-11(15)5-3-10)17-14(19)12-6-7-16-8-13(12)18/h2-9,18H,1H3,(H,17,19)
USRE039991-20080101-C00403
0317.cdx ChemDraw09280710052D 22 23 0 0 0 0 0 0 0 0999 V2000 -3.5724 0.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.3572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 1.5947 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2928 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.1658 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 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 11 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 19 20 21 22 M SBL 1 1 20 M SMT 1 CF3 M SBV 1 20 -2.9920 3.6195 M END
CC(NC(=O)c1ccncc1O)c1ccc(C(F)(F)F)cc1
[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI=1S/C15H13F3N2O2/c1-9(10-2-4-11(5-3-10)15(16,17)18)20-14(22)12-6-7-19-8-13(12)21/h2-9,21H,1H3,(H,20,22)
USRE039991-20080101-C00404
0318.cdx ChemDraw09280710052D 23 24 0 0 0 0 0 0 0 0999 V2000 -3.9296 0.6740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.3885 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.2615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -0.0405 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 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 11 18 1 0 15 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 19 20 21 22 23 M SBL 1 1 20 M SMT 1 OCF3 M SBV 1 20 -3.3493 3.8258 M END
CC(NC(=O)c1ccncc1O)c1ccc(OC(F)(F)F)cc1
[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
InChI=1S/C15H13F3N2O3/c1-9(20-14(22)12-6-7-19-8-13(12)21)10-2-4-11(5-3-10)23-15(16,17)18/h2-9,21H,1H3,(H,20,22)
USRE039991-20080101-C00405
0319.cdx ChemDraw09280710062D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.9334 0.7495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0755 -0.0755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7824 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7824 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -0.1159 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 11 18 1 0 15 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 20 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 19 20 21 22 23 24 25 M SBL 1 1 20 M SMT 1 OPh M SBV 1 20 -2.9165 3.3378 M END
CC(NC(=O)c1ccncc1O)c1ccc(Oc2ccccc2)cc1
[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
InChI=1S/C20H18N2O3/c1-14(22-20(24)18-11-12-21-13-19(18)23)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-14,23H,1H3,(H,22,24)
USRE039991-20080101-C00406
0320.cdx ChemDraw09280710072D 35 37 0 0 0 0 0 0 0 0999 V2000 -4.7852 0.5241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -4.0944 3.2634 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2ccncc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C25H28N2O8/c1-14(2)23(30)35-21-15(3)34-25(32)19(27-22(29)17-9-10-26-12-20(17)28)13-33-24(31)18(21)11-16-7-5-4-6-8-16/h4-10,12,14-15,18-19,21,28H,11,13H2,1-3H3,(H,27,29)/t15-,18+,19-,21-/m0/s1
USRE039991-20080101-C00407
0321.cdx ChemDraw09280710072D 15 15 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 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.2375 0.0000 N 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 -0.4125 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 -1.2375 0.0000 O 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 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 2.5006 -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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 M END
CC(C)(C)CNC(=O)c1cccnc1O
[C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C11H16N2O2/c1-11(2,3)7-13-10(15)8-5-4-6-12-9(8)14/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15)
USRE039991-20080101-C00408
0322.cdx ChemDraw09280710082D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.6664 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.4125 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 -1.2375 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2489 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 0.7174 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 M END
O=C(NC1CCCCC1)c1cccnc1O
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C12H16N2O2/c15-11-10(7-4-8-13-11)12(16)14-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,15)(H,14,16)
USRE039991-20080101-C00409
0323.cdx ChemDraw09280710082D 21 22 0 0 0 0 0 0 0 0999 V2000 -3.3937 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3937 -0.6187 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 13 18 1 0 18 19 1 0 14 20 1 0 20 21 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 OMe M SBV 1 19 -3.7690 3.3580 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 OMe M SBV 2 21 -3.0545 3.3580 M END
COc1cccc(CNC(=O)c2cccnc2O)c1OC
[C][O][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][=C][Ring1][P][O][C]
InChI=1S/C15H16N2O4/c1-20-12-7-3-5-10(13(12)21-2)9-17-15(19)11-6-4-8-16-14(11)18/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
USRE039991-20080101-C00410
0324.cdx ChemDraw09280710092D 19 20 0 0 0 0 0 0 0 0999 V2000 -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 -1.7862 0.0000 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 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -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 -1.0717 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8250 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 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 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 14 18 1 0 15 19 1 0 M END
O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1O
[O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C13H10Cl2N2O2/c14-10-4-3-8(6-11(10)15)7-17-13(19)9-2-1-5-16-12(9)18/h1-6H,7H2,(H,16,18)(H,17,19)
USRE039991-20080101-C00411
0325.cdx ChemDraw09280710092D 19 20 0 0 0 0 0 0 0 0999 V2000 -3.5724 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.2063 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 -2.1434 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2063 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 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2063 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 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0312 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 2.8579 -1.0312 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 3.5724 -1.4437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 M END
O=C(NCCc1ccc(Cl)cc1)c1cccnc1O
[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C14H13ClN2O2/c15-11-5-3-10(4-6-11)7-9-17-14(19)12-2-1-8-16-13(12)18/h1-6,8H,7,9H2,(H,16,18)(H,17,19)
USRE039991-20080101-C00412
0326.cdx ChemDraw09280710102D 24 26 0 0 0 0 0 0 0 0999 V2000 -3.3533 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 1.3885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 0.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 0.0405 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 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 19 24 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 13 14 15 16 17 18 M SBL 1 1 13 M SMT 1 Ph M SBV 1 13 -2.6016 3.5090 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 19 20 21 22 23 24 M SBL 2 1 20 M SMT 2 Ph M SBV 2 20 -2.9588 3.3027 M END
O=C(NC(Cc1ccccc1)c1ccccc1)c1cccnc1O
[O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C20H18N2O2/c23-19-17(12-7-13-21-19)20(24)22-18(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13,18H,14H2,(H,21,23)(H,22,24)
USRE039991-20080101-C00413
0327.cdx ChemDraw09280710112D 23 25 0 0 0 0 0 0 0 0999 V2000 -3.3533 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 1.1896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -0.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 0.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 1.6979 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 18 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 18 19 20 21 22 23 M SBL 1 1 19 M SMT 1 Ph M SBV 1 19 -2.6016 3.7420 M END
O=C(Nc1ccccc1Oc1ccccc1)c1cccnc1O
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C18H14N2O3/c21-17-14(9-6-12-19-17)18(22)20-15-10-4-5-11-16(15)23-13-7-2-1-3-8-13/h1-12H,(H,19,21)(H,20,22)
USRE039991-20080101-C00414
0328.cdx ChemDraw09280710112D 23 25 0 0 0 0 0 0 0 0999 V2000 -4.0678 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 0.7145 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 15 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 18 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 18 19 20 21 22 23 M SBL 1 1 19 M SMT 1 Ph M SBV 1 19 -3.3161 3.5836 M END
O=C(Nc1cccc(Oc2ccccc2)c1)c1cccnc1O
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C18H14N2O3/c21-17-16(10-5-11-19-17)18(22)20-13-6-4-9-15(12-13)23-14-7-2-1-3-8-14/h1-12H,(H,19,21)(H,20,22)
USRE039991-20080101-C00415
0329.cdx ChemDraw09280710122D 23 25 0 0 0 0 0 0 0 0999 V2000 -4.0678 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 1.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 1.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 0.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -0.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -0.2689 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 4 8 1 0 8 9 1 0 8 10 2 0 9 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 14 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 18 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 18 19 20 21 22 23 M SBL 1 1 19 M SMT 1 Ph M SBV 1 19 -3.3161 4.2502 M END
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1O
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C18H14N2O3/c21-17-16(7-4-12-19-17)18(22)20-13-8-10-15(11-9-13)23-14-5-2-1-3-6-14/h1-12H,(H,19,21)(H,20,22)
USRE039991-20080101-C00416
0330.cdx ChemDraw09280710132D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.3921 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -1.3007 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 4 8 1 0 8 9 1 0 8 10 2 0 1 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 12 1 0 16 18 1 0 16 19 1 0 14 20 1 0 14 21 1 0 M END
Cc1ccc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring2]
InChI=1S/C17H26N2O2/c1-11-6-7-13(14(20)18-11)15(21)19-12-8-16(2,3)10-17(4,5)9-12/h6-7,12H,8-10H2,1-5H3,(H,18,20)(H,19,21)
USRE039991-20080101-C00417
0331.cdx ChemDraw09280710152D 36 38 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 30 1 0 23 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 31 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 31 32 33 34 35 36 M SBL 1 1 32 M SMT 1 Ph M SBV 1 32 -4.3291 3.3020 M END
Cc1ccc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
[C][C][=C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring1]
InChI=1S/C26H30N2O8/c1-14(2)24(31)36-21-16(4)35-26(33)20(28-23(30)18-11-10-15(3)27-22(18)29)13-34-25(32)19(21)12-17-8-6-5-7-9-17/h5-11,14,16,19-21H,12-13H2,1-4H3,(H,27,29)(H,28,30)/t16-,19+,20-,21-/m0/s1
USRE039991-20080101-C00418
0332.cdx ChemDraw09280710152D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.3921 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 2 21 1 0 M END
CC1(C)CC(NC(=O)c2cc(O)cnc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][N][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2]
InChI=1S/C16H24N2O3/c1-15(2)6-10(7-16(3,4)9-15)18-14(21)12-5-11(19)8-17-13(12)20/h5,8,10,19H,6-7,9H2,1-4H3,(H,17,20)(H,18,21)
USRE039991-20080101-C00419
0333.cdx ChemDraw09280710162D 36 38 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -0.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 2 30 1 0 23 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 31 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 31 32 33 34 35 36 M SBL 1 1 32 M SMT 1 Ph M SBV 1 32 -4.7137 3.3987 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cc(O)cnc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][N][=C][Ring1][#Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C25H28N2O9/c1-13(2)23(31)36-20-14(3)35-25(33)19(27-22(30)18-10-16(28)11-26-21(18)29)12-34-24(32)17(20)9-15-7-5-4-6-8-15/h4-8,10-11,13-14,17,19-20,28H,9,12H2,1-3H3,(H,26,29)(H,27,30)/t14-,17+,19-,20-/m0/s1
USRE039991-20080101-C00420
0334.cdx ChemDraw09280710162D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.3921 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -1.2375 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 1 21 1 0 3 22 1 0 M END
Cc1cc(C)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Branch1]
InChI=1S/C18H28N2O2/c1-11-7-12(2)19-15(21)14(11)16(22)20-13-8-17(3,4)10-18(5,6)9-13/h7,13H,8-10H2,1-6H3,(H,19,21)(H,20,22)
USRE039991-20080101-C00421
0335.cdx ChemDraw09280711042D 37 39 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -1.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 30 1 0 3 31 1 0 23 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 32 33 34 35 36 37 M SBL 1 1 33 M SMT 1 Ph M SBV 1 33 -4.3291 3.3987 M END
Cc1cc(C)c(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring2]
InChI=1S/C27H32N2O8/c1-14(2)25(32)37-22-17(5)36-27(34)20(29-24(31)21-15(3)11-16(4)28-23(21)30)13-35-26(33)19(22)12-18-9-7-6-8-10-18/h6-11,14,17,19-20,22H,12-13H2,1-5H3,(H,28,30)(H,29,31)/t17-,19+,20-,22-/m0/s1
USRE039991-20080101-C00422
0336.cdx ChemDraw09280710172D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.3921 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 1 21 1 0 2 22 1 0 M END
Cc1nc(O)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)cc1Cl
[C][C][=N][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Cl]
InChI=1S/C17H25ClN2O2/c1-10-13(18)6-12(14(21)19-10)15(22)20-11-7-16(2,3)9-17(4,5)8-11/h6,11H,7-9H2,1-5H3,(H,19,21)(H,20,22)
USRE039991-20080101-C00423
0337.cdx ChemDraw09280710182D 37 39 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -0.7134 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 2 30 1 0 1 31 1 0 23 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 32 33 34 35 36 37 M SBL 1 1 33 M SMT 1 Ph M SBV 1 33 -4.6150 3.4567 M END
Cc1nc(O)c(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)cc1Cl
[C][C][=N][C][Branch1][C][O][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring2][Ring1][Cl]
InChI=1S/C26H29ClN2O8/c1-13(2)24(32)37-21-15(4)36-26(34)20(29-23(31)18-11-19(27)14(3)28-22(18)30)12-35-25(33)17(21)10-16-8-6-5-7-9-16/h5-9,11,13,15,17,20-21H,10,12H2,1-4H3,(H,28,30)(H,29,31)/t15-,17+,20-,21-/m0/s1
USRE039991-20080101-C00424
0338.cdx ChemDraw09280710182D 35 37 0 0 0 0 0 0 0 0999 V2000 -4.7852 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -4.0944 3.4567 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nnccc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][N][=C][C][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H27N3O8/c1-13(2)22(30)35-20-14(3)34-24(32)17(26-21(29)19-18(28)9-10-25-27-19)12-33-23(31)16(20)11-15-7-5-4-6-8-15/h4-10,13-14,16-17,20H,11-12H2,1-3H3,(H,25,28)(H,26,29)/t14-,16+,17-,20-/m0/s1
USRE039991-20080101-C00425
0339.cdx ChemDraw09280710192D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.7493 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -1.3007 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 M END
CC1(C)CC(NC(=O)c2nccnc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI=1S/C15H23N3O2/c1-14(2)7-10(8-15(3,4)9-14)18-13(20)11-12(19)17-6-5-16-11/h5-6,10H,7-9H2,1-4H3,(H,17,19)(H,18,20)
USRE039991-20080101-C00426
0340.cdx ChemDraw09280710192D 35 37 0 0 0 0 0 0 0 0999 V2000 -4.7852 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -3.9783 3.4567 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nccnc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H27N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)17(27-21(29)18-20(28)26-10-9-25-18)12-33-23(31)16(19)11-15-7-5-4-6-8-15/h4-10,13-14,16-17,19H,11-12H2,1-3H3,(H,26,28)(H,27,29)/t14-,16+,17-,19-/m0/s1
USRE039991-20080101-C00427
0341.cdx ChemDraw09280710202D 27 29 0 0 0 0 0 0 0 0999 V2000 -4.4931 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0641 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 1.8010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0806 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6681 -1.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 -0.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 -0.3720 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 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 14 17 1 0 17 18 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 20 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 24 25 26 27 M SBL 1 1 26 M SMT 1 CF3 M SBV 1 26 -3.7967 3.8893 M END
O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nccnc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][C][=C][N][=C][Ring1][=Branch1][O]
InChI=1S/C18H12F3N3O3/c19-18(20,21)11-2-1-3-14(10-11)27-13-6-4-12(5-7-13)24-17(26)15-16(25)23-9-8-22-15/h1-10H,(H,23,25)(H,24,26)
USRE039991-20080101-C00428
0342.cdx ChemDraw09280710212D 37 39 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 30 1 0 2 31 1 0 23 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 32 33 34 35 36 37 M SBL 1 1 33 M SMT 1 Ph M SBV 1 33 -4.3291 3.4374 M END
Cc1cc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)nc1C
[C][C][=C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Branch1][C][O][N][=C][Ring2][Ring2][Ring1][C]
InChI=1S/C27H32N2O8/c1-14(2)25(32)37-22-17(5)36-27(34)21(29-24(31)20-11-15(3)16(4)28-23(20)30)13-35-26(33)19(22)12-18-9-7-6-8-10-18/h6-11,14,17,19,21-22H,12-13H2,1-5H3,(H,28,30)(H,29,31)/t17-,19+,21-,22-/m0/s1
USRE039991-20080101-C00429
0343.cdx ChemDraw09280710212D 38 40 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -0.7134 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 1.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 2 30 1 0 1 32 1 0 31 32 1 0 23 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 33 38 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 32 M SMT 1 MeO M SBV 1 32 -6.1151 4.1335 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 33 34 35 36 37 38 M SBL 2 1 34 M SMT 2 Ph M SBV 2 34 -4.9328 3.5147 M END
COc1nc(O)c(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)nc1Cl
[C][O][C][=N][C][Branch1][C][O][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][N][=C][Ring2][Ring2][Ring1][Cl]
InChI=1S/C25H28ClN3O9/c1-12(2)23(32)38-18-13(3)37-25(34)16(11-36-24(33)15(18)10-14-8-6-5-7-9-14)27-20(30)17-21(31)29-22(35-4)19(26)28-17/h5-9,12-13,15-16,18H,10-11H2,1-4H3,(H,27,30)(H,29,31)/t13-,15+,16-,18-/m0/s1
USRE039991-20080101-C00430
0344.cdx ChemDraw09280710222D 37 39 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 -0.7134 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 30 1 0 2 31 1 0 23 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 32 33 34 35 36 37 M SBL 1 1 33 M SMT 1 Ph M SBV 1 33 -4.6150 3.5147 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nc(Cl)c(Cl)nc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H25Cl2N3O8/c1-11(2)22(32)37-17-12(3)36-24(34)15(27-20(30)16-21(31)29-19(26)18(25)28-16)10-35-23(33)14(17)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10H2,1-3H3,(H,27,30)(H,29,31)/t12-,14+,15-,17-/m0/s1
USRE039991-20080101-C00431
0345.cdx ChemDraw09280710222D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.7493 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9335 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -1.3007 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 M END
CC1(C)CC(NC(=O)c2cncnc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
InChI=1S/C15H23N3O2/c1-14(2)5-10(6-15(3,4)8-14)18-13(20)11-7-16-9-17-12(11)19/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)(H,16,17,19)
USRE039991-20080101-C00432
0346.cdx ChemDraw09280710222D 35 37 0 0 0 0 0 0 0 0999 V2000 -4.7852 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7852 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3727 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -4.0944 3.5147 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cncnc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H27N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)18(27-21(29)17-10-25-12-26-20(17)28)11-33-23(31)16(19)9-15-7-5-4-6-8-15/h4-8,10,12-14,16,18-19H,9,11H2,1-3H3,(H,27,29)(H,25,26,28)/t14-,16+,18-,19-/m0/s1
USRE039991-20080101-C00433
0347.cdx ChemDraw09280710232D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.3921 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 1.2375 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 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 1 21 1 0 M END
Cc1ncc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
[C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring2]
InChI=1S/C16H25N3O2/c1-10-17-8-12(13(20)18-10)14(21)19-11-6-15(2,3)9-16(4,5)7-11/h8,11H,6-7,9H2,1-5H3,(H,19,21)(H,17,18,20)
USRE039991-20080101-C00434
0348.cdx ChemDraw09280710232D 36 38 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 30 1 0 23 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 31 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 31 32 33 34 35 36 M SBL 1 1 32 M SMT 1 Ph M SBV 1 32 -4.3291 3.5147 M END
Cc1ncc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
[C][C][=N][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring1]
InChI=1S/C25H29N3O8/c1-13(2)23(31)36-20-14(3)35-25(33)19(28-22(30)18-11-26-15(4)27-21(18)29)12-34-24(32)17(20)10-16-8-6-5-7-9-16/h5-9,11,13-14,17,19-20H,10,12H2,1-4H3,(H,28,30)(H,26,27,29)/t14-,17+,19-,20-/m0/s1
USRE039991-20080101-C00435
0349.cdx ChemDraw09280710242D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.3921 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 1 21 1 0 M END
CC1(C)CC(NC(=O)c2nnc(O)nc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2]
InChI=1S/C14H22N4O3/c1-13(2)5-8(6-14(3,4)7-13)15-10(19)9-11(20)16-12(21)18-17-9/h8H,5-7H2,1-4H3,(H,15,19)(H2,16,18,20,21)
USRE039991-20080101-C00436
0350.cdx ChemDraw09280710242D 36 38 0 0 0 0 0 0 0 0999 V2000 -4.4280 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3175 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 30 1 0 23 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 31 36 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 31 32 33 34 35 36 M SBL 1 1 32 M SMT 1 Ph M SBV 1 32 -4.7137 3.6114 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nnc(O)nc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C23H26N4O9/c1-11(2)20(30)36-17-12(3)35-22(32)15(24-18(28)16-19(29)25-23(33)27-26-16)10-34-21(31)14(17)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10H2,1-3H3,(H,24,28)(H2,25,27,29,33)/t12-,14+,15-,17-/m0/s1
USRE039991-20080101-C00437
0351.cdx ChemDraw09280710252D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.5707 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -0.0060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -0.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 1.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 -0.0060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4273 -1.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 -0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 -1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 1.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 1.4378 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 11 1 0 15 17 1 0 15 18 1 0 13 19 1 0 13 20 1 0 1 22 1 0 21 22 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 22 M SMT 1 MeS M SBV 1 22 -4.2239 4.0610 M END
CSc1nnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
[C][S][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring2]
InChI=1S/C15H24N4O2S/c1-14(2)6-9(7-15(3,4)8-14)16-11(20)10-12(21)17-13(22-5)19-18-10/h9H,6-8H2,1-5H3,(H,16,20)(H,17,19,21)
USRE039991-20080101-C00438
0352.cdx ChemDraw09280710252D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.6587 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 -0.1031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 -0.5156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 1.1344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 1.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1992 -0.1031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -1.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 -0.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 1.3406 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 18 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 11 1 0 1 20 1 0 19 20 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 MeS M SBV 1 20 -4.3118 3.9348 M END
CSc1nnc(C(=O)NC2CCCCCCC2)c(O)n1
[C][S][C][=N][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][O][=N][Ring2][Ring1][C]
InChI=1S/C13H20N4O2S/c1-20-13-15-12(19)10(16-17-13)11(18)14-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,14,18)(H,15,17,19)
USRE039991-20080101-C00439
0353.cdx ChemDraw09280710262D 37 39 0 0 0 0 0 0 0 0999 V2000 -4.6066 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4394 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3454 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3454 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4394 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4889 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4889 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4889 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 0.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9639 1.1429 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -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 4 8 1 0 8 9 1 0 8 10 2 0 11 9 1 6 11 12 1 0 12 13 1 0 14 15 1 0 15 11 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 14 1 0 15 20 2 0 16 21 2 0 19 22 1 1 17 23 1 1 18 24 1 6 24 25 1 0 25 26 1 0 25 27 2 0 26 28 1 0 26 29 1 0 1 31 1 0 30 31 1 0 23 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 31 M SMT 1 MeS M SBV 1 31 -6.2598 4.2302 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 32 33 34 35 36 37 M SBL 2 1 33 M SMT 2 Ph M SBV 2 33 -5.0775 3.6114 M END
CSc1nnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c(O)n1
[C][S][C][=N][N][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][C][Branch1][C][O][=N][Ring2][Ring2][Ring1]
InChI=1S/C24H28N4O8S/c1-12(2)21(31)36-18-13(3)35-23(33)16(25-19(29)17-20(30)26-24(37-4)28-27-17)11-34-22(32)15(18)10-14-8-6-5-7-9-14/h5-9,12-13,15-16,18H,10-11H2,1-4H3,(H,25,29)(H,26,28,30)/t13-,15+,16-,18-/m0/s1
USRE039991-20080101-C00440
0354.cdx ChemDraw09280710272D 29 31 0 0 0 0 0 0 0 0999 V2000 -4.3145 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3145 0.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 0.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8855 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 1.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4566 0.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -0.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1158 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 1.9041 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -1.9041 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5447 -0.7771 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -0.4752 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 5 7 1 0 4 8 1 0 8 9 1 0 8 10 2 0 9 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 14 17 1 0 17 18 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 1 25 1 0 24 25 1 0 20 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 MeS M SBV 1 26 -5.9676 4.9979 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 26 27 28 29 M SBL 2 1 28 M SMT 2 CF3 M SBV 2 28 -4.8959 3.9666 M END
CSc1nnc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(O)n1
[C][S][C][=N][N][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][O]
InChI=1S/C18H13F3N4O3S/c1-29-17-23-16(27)14(24-25-17)15(26)22-11-5-7-12(8-6-11)28-13-4-2-3-10(9-13)18(19,20)21/h2-9H,1H3,(H,22,26)(H,23,25,27)
USRE039991-20080101-C00441
0355.cdx ChemDraw09280710272D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.6856 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 1 2 1 0 1 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 4 1 0 8 10 1 0 8 11 1 0 6 12 1 0 6 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 14 2 0 15 19 1 0 M END
CC1(C)CC(NC(=O)c2nscc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][C][=C][Ring1][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
InChI=1S/C14H22N2O2S/c1-13(2)5-9(6-14(3,4)8-13)15-12(18)11-10(17)7-19-16-11/h7,9,17H,5-6,8H2,1-4H3,(H,15,18)
USRE039991-20080101-C00442
0356.cdx ChemDraw09280710282D 34 36 0 0 0 0 0 0 0 0999 V2000 -2.7215 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 0.1116 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.5558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 0 1 2 1 0 1 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 8 1 0 8 4 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 2 0 9 14 2 0 12 15 1 1 10 16 1 1 11 17 1 6 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 23 2 0 24 28 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 29 34 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 29 30 31 32 33 34 M SBL 1 1 30 M SMT 1 Ph M SBV 1 30 -3.9844 3.6050 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nscc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][C][=C][Ring1][Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C23H26N2O8S/c1-12(2)21(28)33-19-13(3)32-23(30)16(24-20(27)18-17(26)11-34-25-18)10-31-22(29)15(19)9-14-7-5-4-6-8-14/h4-8,11-13,15-16,19,26H,9-10H2,1-3H3,(H,24,27)/t13-,15+,16-,19-/m0/s1
USRE039991-20080101-C00443
0357.cdx ChemDraw09280711082D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.4294 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 0.9760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 0.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -1.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 -0.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -0.3720 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 1 2 1 0 1 3 2 0 2 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 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 17 2 0 18 22 1 0 13 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 23 24 25 26 M SBL 1 1 25 M SMT 1 CF3 M SBV 1 25 -3.8028 4.0762 M END
O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1nscc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=N][S][C][=C][Ring1][Branch1][O]
InChI=1S/C17H11F3N2O3S/c18-17(19,20)10-2-1-3-13(8-10)25-12-6-4-11(5-7-12)21-16(24)15-14(23)9-26-22-15/h1-9,23H,(H,21,24)
USRE039991-20080101-C00444
0358.cdx ChemDraw09280710302D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.6856 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 1 2 1 0 1 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 4 1 0 8 10 1 0 8 11 1 0 6 12 1 0 6 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 14 2 0 15 19 1 0 M END
CC1(C)CC(NC(=O)c2nsnc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][N][=C][Ring1][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
InChI=1S/C13H21N3O2S/c1-12(2)5-8(6-13(3,4)7-12)14-10(17)9-11(18)16-19-15-9/h8H,5-7H2,1-4H3,(H,14,17)(H,16,18)
USRE039991-20080101-C00445
0359.cdx ChemDraw09280710302D 34 36 0 0 0 0 0 0 0 0999 V2000 -2.7215 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 0.7791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 0.1116 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.5558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 0 1 2 1 0 1 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 8 1 0 8 4 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 2 0 9 14 2 0 12 15 1 1 10 16 1 1 11 17 1 6 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 23 2 0 24 28 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 29 34 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 29 30 31 32 33 34 M SBL 1 1 30 M SMT 1 Ph M SBV 1 30 -3.9844 3.6050 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nsnc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=N][S][N][=C][Ring1][Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C22H25N3O8S/c1-11(2)20(28)33-17-12(3)32-22(30)15(23-18(26)16-19(27)25-34-24-16)10-31-21(29)14(17)9-13-7-5-4-6-8-13/h4-8,11-12,14-15,17H,9-10H2,1-3H3,(H,23,26)(H,25,27)/t12-,14+,15-,17-/m0/s1
USRE039991-20080101-C00447
0361.cdx ChemDraw09280711182D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.4294 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 0.9760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -1.8010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 -0.6740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -0.3720 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 1 2 1 0 1 3 2 0 2 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 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 17 2 0 18 22 1 0 13 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 23 24 25 26 M SBL 1 1 25 M SMT 1 CF3 M SBV 1 25 -3.8028 4.0762 M END
O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1cscc1O
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][S][C][=C][Ring1][Branch1][O]
InChI=1S/C18H12F3NO3S/c19-18(20,21)11-2-1-3-14(8-11)25-13-6-4-12(5-7-13)22-17(24)15-9-26-10-16(15)23/h1-10,23H,(H,22,24)
USRE039991-20080101-C00448
0362.cdx ChemDraw09290714282D 35 37 0 0 0 0 0 0 0 0999 V2000 -2.7215 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 0.7791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 0.1116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6331 1.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 0 1 2 1 0 1 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 8 1 0 8 4 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 2 0 9 14 2 0 12 15 1 1 10 16 1 1 11 17 1 6 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 23 1 0 24 28 1 0 25 29 1 0 16 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -4.0147 3.7403 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cnn(C)c2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H29N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)18(26-20(28)17-11-25-27(4)21(17)29)12-33-23(31)16(19)10-15-8-6-5-7-9-15/h5-9,11,13-14,16,18-19,29H,10,12H2,1-4H3,(H,26,28)/t14-,16+,18-,19-/m0/s1
USRE039991-20080101-C00449
0363.cdx ChemDraw09280710332D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.2731 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9163 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7722 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 1 2 1 0 1 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 4 1 0 8 10 1 0 8 11 1 0 6 12 1 0 6 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 14 2 0 15 19 1 0 17 20 1 0 M END
Cn1cc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c(O)n1
[C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Branch1][C][O][=N][Ring2][Ring1][Ring1]
InChI=1S/C15H25N3O2/c1-14(2)6-10(7-15(3,4)9-14)16-12(19)11-8-18(5)17-13(11)20/h8,10H,6-7,9H2,1-5H3,(H,16,19)(H,17,20)
USRE039991-20080101-C00450
0364.cdx ChemDraw09280710332D 35 37 0 0 0 0 0 0 0 0999 V2000 -2.3090 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 0.7791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 0.1116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 0 1 2 1 0 1 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 8 1 0 8 4 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 2 0 9 14 2 0 12 15 1 1 10 16 1 1 11 17 1 6 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 23 2 0 24 28 1 0 26 29 1 0 16 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 30 31 32 33 34 35 M SBL 1 1 31 M SMT 1 Ph M SBV 1 31 -4.2982 3.7790 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2cn(C)nc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H29N3O8/c1-13(2)22(30)35-19-14(3)34-24(32)18(25-20(28)17-11-27(4)26-21(17)29)12-33-23(31)16(19)10-15-8-6-5-7-9-15/h5-9,11,13-14,16,18-19H,10,12H2,1-4H3,(H,25,28)(H,26,29)/t14-,16+,18-,19-/m0/s1
USRE039991-20080101-C00451
0365.cdx ChemDraw09280710332D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.6856 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 1 2 1 0 1 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 4 1 0 8 10 1 0 8 11 1 0 6 12 1 0 6 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 14 2 0 15 19 1 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 20 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 20 21 22 23 24 25 M SBL 1 1 21 M SMT 1 Ph M SBV 1 21 -3.7940 3.3838 M END
CC1(C)CC(NC(=O)c2cn(-c3ccccc3)nc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch2]
InChI=1S/C20H27N3O2/c1-19(2)10-14(11-20(3,4)13-19)21-17(24)16-12-23(22-18(16)25)15-8-6-5-7-9-15/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)
USRE039991-20080101-C00452
0366.cdx ChemDraw09280710342D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.6856 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5038 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4001 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 1 2 1 0 1 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 4 1 0 8 10 1 0 8 11 1 0 6 12 1 0 6 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 14 2 0 15 19 1 0 M END
CC1(C)CC(NC(=O)c2conc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
InChI=1S/C14H22N2O3/c1-13(2)5-9(6-14(3,4)8-13)15-11(17)10-7-19-16-12(10)18/h7,9H,5-6,8H2,1-4H3,(H,15,17)(H,16,18)
USRE039991-20080101-C00453
0367.cdx ChemDraw09280710342D 34 36 0 0 0 0 0 0 0 0999 V2000 -2.7215 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 0.7791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 0.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 0 1 2 1 0 1 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 8 1 0 8 4 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 2 0 9 14 2 0 12 15 1 1 10 16 1 1 11 17 1 6 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 23 2 0 24 28 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 29 34 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 29 30 31 32 33 34 M SBL 1 1 30 M SMT 1 Ph M SBV 1 30 -4.0154 3.7790 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2conc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C23H26N2O9/c1-12(2)21(28)34-18-13(3)33-23(30)17(24-19(26)16-10-32-25-20(16)27)11-31-22(29)15(18)9-14-7-5-4-6-8-14/h4-8,10,12-13,15,17-18H,9,11H2,1-3H3,(H,24,26)(H,25,27)/t13-,15+,17-,18-/m0/s1
USRE039991-20080101-C00454
0368.cdx ChemDraw09280710352D 39 42 0 0 0 0 0 0 0 0999 V2000 -1.9274 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -0.3009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0965 -0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0965 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -0.7134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4997 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4997 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2622 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 0 1 2 1 0 1 3 2 0 4 2 1 6 4 5 1 0 5 6 1 0 7 8 1 0 8 4 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 2 0 9 14 2 0 12 15 1 1 10 16 1 1 11 17 1 6 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 28 23 2 0 26 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 27 2 0 24 33 1 0 16 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 34 39 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 34 35 36 37 38 39 M SBL 1 1 36 M SMT 1 Ph M SBV 1 36 -4.6928 3.9917 M END
CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)c2nc3ccccc3cc2O)COC(=O)[C@@H]1Cc1ccccc1
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C29H30N2O8/c1-16(2)27(34)39-25-17(3)38-29(36)22(15-37-28(35)20(25)13-18-9-5-4-6-10-18)31-26(33)24-23(32)14-19-11-7-8-12-21(19)30-24/h4-12,14,16-17,20,22,25,32H,13,15H2,1-3H3,(H,31,33)/t17-,20+,22-,25-/m0/s1
USRE039991-20080101-C00455
0369.cdx ChemDraw09280710362D 24 26 0 0 0 0 0 0 0 0999 V2000 0.1085 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8805 -0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8805 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 1 2 1 0 1 3 2 0 2 4 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 2 0 8 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 9 2 0 6 15 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 4 1 0 19 21 1 0 19 22 1 0 17 23 1 0 17 24 1 0 M END
CC1(C)CC(NC(=O)c2nc3ccccc3cc2O)CC(C)(C)C1
[C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch1]
InChI=1S/C20H26N2O2/c1-19(2)10-14(11-20(3,4)12-19)21-18(24)17-16(23)9-13-7-5-6-8-15(13)22-17/h5-9,14,23H,10-12H2,1-4H3,(H,21,24)
USRE039991-20080101-C00456
0370.cdx ChemDraw09280710372D 23 24 0 0 0 0 0 0 0 0999 V2000 -2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -0.7145 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 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 17 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END
CC(=O)Oc1cccnc1C(=O)NC1CCC(OC(C)=O)CC1
[C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Ring1][#Branch2]
InChI=1S/C16H20N2O5/c1-10(19)22-13-7-5-12(6-8-13)18-16(21)15-14(23-11(2)20)4-3-9-17-15/h3-4,9,12-13H,5-8H2,1-2H3,(H,18,21)
USRE039991-20080101-C00458
0372.cdx ChemDraw09280710382D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4437 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -0.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -0.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -1.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 1.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -1.6076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -2.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -2.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 2.3220 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 7 1 0 7 8 1 0 8 9 2 0 1 10 1 0 10 11 1 0 10 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 13 1 0 16 19 1 0 8 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 20 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 20 21 22 23 24 25 M SBL 1 1 21 M SMT 1 Ph M SBV 1 21 -2.4950 3.7434 M END
O=C(Oc1cccnc1C(=O)NC1CCC(O)CC1)c1ccccc1
[O][=C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C19H20N2O4/c22-15-10-8-14(9-11-15)21-18(23)17-16(7-4-12-20-17)25-19(24)13-5-2-1-3-6-13/h1-7,12,14-15,22H,8-11H2,(H,21,23)
USRE039991-20080101-C00460
0374.cdx ChemDraw09280711432D 38 40 0 0 0 0 0 0 0 0999 V2000 -3.1502 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 -0.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 1.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 -0.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 0.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 0.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -2.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 -0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -1.0717 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 14 12 1 6 14 15 1 0 15 16 1 0 17 18 1 0 18 14 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 17 1 0 18 23 2 0 22 24 1 1 21 25 1 6 25 26 1 0 26 27 1 0 26 28 2 0 20 29 1 1 19 30 2 0 27 31 1 0 27 32 1 0 29 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 33 38 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 33 34 35 36 37 38 M SBL 1 1 34 M SMT 1 Ph M SBV 1 34 -3.9953 4.0325 M END
CC(=O)Oc1cccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
[C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI=1S/C27H30N2O9/c1-15(2)25(32)38-23-16(3)36-27(34)20(14-35-26(33)19(23)13-18-9-6-5-7-10-18)29-24(31)22-21(37-17(4)30)11-8-12-28-22/h5-12,15-16,19-20,23H,13-14H2,1-4H3,(H,29,31)/t16-,19+,20-,23-/m0/s1
USRE039991-20080101-C00461
0375.cdx ChemDraw09280710412D 41 43 0 0 0 0 0 0 0 0999 V2000 -3.1502 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 -1.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 0.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 1.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 -1.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -1.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -1.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -1.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 0.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -0.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 0.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 -0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 2.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 2.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 2.5835 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 14 12 1 6 14 15 1 0 15 16 1 0 17 18 1 0 18 14 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 17 1 0 18 23 2 0 22 24 1 1 21 25 1 6 25 26 1 0 26 27 1 0 26 28 2 0 20 29 1 1 19 30 2 0 27 31 1 0 27 32 1 0 10 33 1 0 29 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 34 39 1 0 33 40 1 0 40 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 34 35 36 37 38 39 M SBL 1 1 35 M SMT 1 Ph M SBV 1 35 -3.9953 3.6477 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 42 M SMT 2 OMe M SBV 2 42 -4.2015 4.4174 M END
COCCC(=O)Oc1cccnc1C(=O)N[C@H]1COC(=O)[C@H](Cc2ccccc2)[C@@H](OC(=O)C(C)C)[C@H](C)OC1=O
[C][O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O]
InChI=1S/C29H34N2O10/c1-17(2)27(34)41-25-18(3)39-29(36)21(16-38-28(35)20(25)15-19-9-6-5-7-10-19)31-26(33)24-22(11-8-13-30-24)40-23(32)12-14-37-4/h5-11,13,17-18,20-21,25H,12,14-16H2,1-4H3,(H,31,33)/t18-,20+,21-,25-/m0/s1
USRE039991-20080101-C00463
0377.cdx ChemDraw09280710432D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.1167 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -2.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 0.7145 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 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 18 20 1 0 18 21 1 0 16 22 1 0 16 23 1 0 10 24 1 0 10 25 1 0 3 26 1 0 M END
Cc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1OC(=O)C(C)C
[C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][C][C]
InChI=1S/C21H32N2O3/c1-13(2)19(25)26-17-14(3)8-9-22-16(17)18(24)23-15-10-20(4,5)12-21(6,7)11-15/h8-9,13,15H,10-12H2,1-7H3,(H,23,24)
USRE039991-20080101-C00464
0378.cdx ChemDraw09280710432D 41 43 0 0 0 0 0 0 0 0999 V2000 -3.1502 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 -1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 -1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9127 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -0.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 -0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3877 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -1.4289 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 14 12 1 6 14 15 1 0 15 16 1 0 17 18 1 0 18 14 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 17 1 0 18 23 2 0 22 24 1 1 21 25 1 6 25 26 1 0 26 27 1 0 26 28 2 0 20 29 1 1 19 30 2 0 27 31 1 0 27 32 1 0 10 33 1 0 10 34 1 0 3 35 1 0 29 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 36 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 36 37 38 39 40 41 M SBL 1 1 37 M SMT 1 Ph M SBV 1 37 -3.9953 3.6753 M END
Cc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)C(C)C
[C][C][=C][C][=N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@H1][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C]
InChI=1S/C30H36N2O9/c1-16(2)27(34)40-24-18(5)12-13-31-23(24)26(33)32-22-15-38-29(36)21(14-20-10-8-7-9-11-20)25(19(6)39-30(22)37)41-28(35)17(3)4/h7-13,16-17,19,21-22,25H,14-15H2,1-6H3,(H,32,33)/t19-,21+,22-,25-/m0/s1
USRE039991-20080101-C00465
0379.cdx ChemDraw09280710442D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5151 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1651 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5151 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5151 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9589 1.2780 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 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 18 20 1 0 18 21 1 0 16 22 1 0 16 23 1 0 21 24 1 0 24 25 1 0 25 21 1 0 3 27 1 0 26 27 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 MeO M SBV 1 28 -3.9867 4.6107 M END
COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C3CC3)C2)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][N][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI=1S/C21H30N2O4/c1-13(24)27-18-16(26-5)8-9-22-17(18)19(25)23-15-10-20(2,3)12-21(4,11-15)14-6-7-14/h8-9,14-15H,6-7,10-12H2,1-5H3,(H,23,25)
USRE039991-20080101-C00466
0380.cdx ChemDraw09280710452D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.1167 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 0.4397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 1.2780 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 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 18 20 1 0 16 21 1 0 16 22 1 0 18 23 1 0 23 24 3 0 3 26 1 0 25 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 24 M SMT 1 CN M SBV 1 24 -2.7987 4.2733 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 26 M SMT 2 MeO M SBV 2 26 -3.5883 4.6107 M END
COc1ccnc(C(=O)NC2CC(C)(C)CC(C)(C#N)C2)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][O][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O]
InChI=1S/C19H25N3O4/c1-12(23)26-16-14(25-5)6-7-21-15(16)17(24)22-13-8-18(2,3)10-19(4,9-13)11-20/h6-7,13H,8-10H2,1-5H3,(H,22,24)
USRE039991-20080101-C00467
0381.cdx ChemDraw09280710452D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.4437 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6187 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 -2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 1.2780 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 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 18 20 1 0 18 21 1 0 16 22 1 0 16 23 1 0 17 24 2 0 3 26 1 0 25 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 26 M SMT 1 MeO M SBV 1 26 -3.9154 4.6107 M END
COc1ccnc(C(=O)NC2CC(C)(C)C(=O)C(C)(C)C2)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O]
InChI=1S/C19H26N2O5/c1-11(22)26-15-13(25-6)7-8-20-14(15)16(23)21-12-9-18(2,3)17(24)19(4,5)10-12/h7-8,12H,9-10H2,1-6H3,(H,21,23)
USRE039991-20080101-C00470
0384.cdx ChemDraw09280710492D 26 27 0 0 0 0 0 0 0 0999 V2000 -1.1099 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -0.9243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 1.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 1.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 1.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -0.9243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 1.4254 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 18 1 1 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 14 1 0 19 21 1 6 20 22 1 1 16 23 1 0 16 24 1 0 3 26 1 0 25 26 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 26 M SMT 1 MeO M SBV 1 26 -3.5815 4.7853 M END
COc1ccnc(C(=O)NC2CC(C)(C)C=C[C@@H](C)[C@@H]2C)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O]
InChI=1S/C20H28N2O4/c1-12-7-9-20(4,5)11-15(13(12)2)22-19(24)17-18(26-14(3)23)16(25-6)8-10-21-17/h7-10,12-13,15H,11H2,1-6H3,(H,22,24)/t12-,13+,15?/m1/s1
USRE039991-20080101-C00471
0385.cdx ChemDraw09280710502D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.1099 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 -1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -1.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 1.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -1.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 0.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 -1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 1.2924 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 14 1 0 19 21 1 0 16 22 1 0 16 23 1 0 3 25 1 0 24 25 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 25 M SMT 1 MeO M SBV 1 25 -3.5815 4.6523 M END
COc1ccnc(C(=O)NC2CC(C)(C)C=CC=C2C)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O]
InChI=1S/C19H24N2O4/c1-12-7-6-9-19(3,4)11-14(12)21-18(23)16-17(25-13(2)22)15(24-5)8-10-20-16/h6-10,14H,11H2,1-5H3,(H,21,23)
USRE039991-20080101-C00472
0386.cdx ChemDraw09280710532D 27 28 0 0 0 0 0 0 0 0999 V2000 -1.2842 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 -0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 -0.8900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 1.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 1.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 -0.8900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 -0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 -1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9342 -0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6185 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8562 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7279 1.4597 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 14 1 0 20 22 1 0 20 23 1 0 16 24 1 0 16 25 1 0 3 27 1 0 26 27 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 27 M SMT 1 MeO M SBV 1 27 -3.7558 4.8196 M END
COc1ccnc(C(=O)NC2CC(C)(C)/C=C\CC(C)(C)C2)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][/C][=C][\C][C][Branch1][C][C][Branch1][C][C][C][Ring1][N][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI=1S/C21H30N2O4/c1-14(24)27-18-16(26-6)8-11-22-17(18)19(25)23-15-12-20(2,3)9-7-10-21(4,5)13-15/h7-9,11,15H,10,12-13H2,1-6H3,(H,23,25)/b9-7-
USRE039991-20080101-C00473
0387.cdx ChemDraw09280710542D 32 33 0 0 0 0 0 0 0 0999 V2000 -2.5781 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 1.1748 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 14 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 3 26 1 0 25 26 1 0 18 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 27 32 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 21 22 23 24 M SBL 1 1 21 M SMT 1 COOMe M SBV 1 21 -4.3757 2.9548 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 25 M SMT 2 MeO M SBV 2 25 -5.0497 4.3838 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 27 28 29 30 31 32 M SBL 3 1 27 M SMT 3 Ph M SBV 3 27 -4.2247 3.8203 M END
COC(=O)C(COC(=O)C(C)c1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI=1S/C22H24N2O8/c1-13(15-8-6-5-7-9-15)21(27)31-12-16(22(28)30-4)24-20(26)18-19(32-14(2)25)17(29-3)10-11-23-18/h5-11,13,16H,12H2,1-4H3,(H,24,26)
USRE039991-20080101-C00474
0388.cdx ChemDraw09280710542D 35 36 0 0 0 0 0 0 0 0999 V2000 -2.5781 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5781 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 1.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 1.1748 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 10 21 1 0 14 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 3 27 1 0 26 27 1 0 21 28 1 0 28 29 1 0 18 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 22 23 24 25 M SBL 1 1 22 M SMT 1 COOMe M SBV 1 22 -4.3757 2.9548 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 26 M SMT 2 MeO M SBV 2 26 -5.0497 4.3838 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 28 M SMT 3 OMe M SBV 3 28 -4.6372 2.9548 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 30 31 32 33 34 35 M SBL 4 1 30 M SMT 4 Ph M SBV 4 30 -4.2247 3.8203 M END
COCCC(=O)Oc1c(OC)ccnc1C(=O)NC(COC(=O)C(C)c1ccccc1)C(=O)OC
[C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
InChI=1S/C24H28N2O9/c1-15(16-8-6-5-7-9-16)23(29)34-14-17(24(30)33-4)26-22(28)20-21(18(32-3)10-12-25-20)35-19(27)11-13-31-2/h5-10,12,15,17H,11,13-14H2,1-4H3,(H,26,28)
USRE039991-20080101-C00475
0389.cdx ChemDraw09280711462D 32 33 0 0 0 0 0 0 0 0999 V2000 -2.8875 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.5321 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 14 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 3 26 1 0 25 26 1 0 20 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 27 32 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 21 22 23 24 M SBL 1 1 21 M SMT 1 COOMe M SBV 1 21 -4.6851 2.9548 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 25 M SMT 2 MeO M SBV 2 25 -5.3591 4.3838 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 27 28 29 30 31 32 M SBL 3 1 27 M SMT 3 Ph M SBV 3 27 -4.3279 3.4630 M END
COC(=O)C(COC(=O)CCc1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
[C][O][C][=Branch1][C][=O][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI=1S/C22H24N2O8/c1-14(25)32-20-17(29-2)11-12-23-19(20)21(27)24-16(22(28)30-3)13-31-18(26)10-9-15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13H2,1-3H3,(H,24,27)
USRE039991-20080101-C00476
0390.cdx ChemDraw09280710552D 35 36 0 0 0 0 0 0 0 0999 V2000 -2.8875 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.5321 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 10 21 1 0 14 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 3 27 1 0 26 27 1 0 21 28 1 0 28 29 1 0 20 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 22 23 24 25 M SBL 1 1 22 M SMT 1 COOMe M SBV 1 22 -4.6851 2.9548 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 26 M SMT 2 MeO M SBV 2 26 -5.3591 4.3838 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 28 M SMT 3 OMe M SBV 3 28 -4.9466 2.9548 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 6 30 31 32 33 34 35 M SBL 4 1 30 M SMT 4 Ph M SBV 4 30 -4.3279 3.4630 M END
COCCC(=O)Oc1c(OC)ccnc1C(=O)NC(COC(=O)CCc1ccccc1)C(=O)OC
[C][O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
InChI=1S/C24H28N2O9/c1-31-14-12-20(28)35-22-18(32-2)11-13-25-21(22)23(29)26-17(24(30)33-3)15-34-19(27)10-9-16-7-5-4-6-8-16/h4-8,11,13,17H,9-10,12,14-15H2,1-3H3,(H,26,29)
USRE039991-20080101-C00477
0391.cdx ChemDraw09280711462D 33 34 0 0 0 0 0 0 0 0999 V2000 -3.1969 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4344 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8469 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4344 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1969 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4344 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1969 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 -1.3258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9262 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6406 1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6666 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3811 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7623 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 1.8893 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 20 21 1 0 3 23 1 0 22 23 1 0 14 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 21 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 28 33 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 22 M SMT 1 MeO M SBV 1 22 -5.6685 4.3838 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 24 25 26 27 M SBL 2 1 24 M SMT 2 COOMe M SBV 2 24 -4.9945 2.9548 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 6 28 29 30 31 32 33 M SBL 3 1 28 M SMT 3 Ph M SBV 3 28 -4.8435 3.8203 M END
COC(=O)C(COC(=O)COCc1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI=1S/C22H24N2O9/c1-14(25)33-20-17(29-2)9-10-23-19(20)21(27)24-16(22(28)30-3)12-32-18(26)13-31-11-15-7-5-4-6-8-15/h4-10,16H,11-13H2,1-3H3,(H,24,27)
USRE039991-20080101-C00478
0392.cdx ChemDraw09280711472D 33 33 0 0 0 0 0 0 0 0999 V2000 -2.2687 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -1.6831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 0.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -1.6831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -0.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2062 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -0.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 0.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 2.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -2.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -2.1913 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 3 29 1 0 28 29 1 0 14 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 28 M SMT 1 MeO M SBV 1 28 -4.7404 4.0265 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 30 31 32 33 M SBL 2 1 30 M SMT 2 COOMe M SBV 2 30 -4.0664 2.5976 M END
COC(=O)C(COC(=O)CC(C)OC(=O)C(C)C)NC(=O)c1nccc(OC)c1OC(C)=O
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI=1S/C21H28N2O10/c1-11(2)20(27)32-12(3)9-16(25)31-10-14(21(28)30-6)23-19(26)17-18(33-13(4)24)15(29-5)7-8-22-17/h7-8,11-12,14H,9-10H2,1-6H3,(H,23,26)
USRE039991-20080101-C00479
0393.cdx ChemDraw09280711472D 39 40 0 0 0 0 0 0 0 0999 V2000 -2.8875 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.6831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.6831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -1.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 0.6666 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 18 25 1 0 24 26 1 0 24 27 1 0 14 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 25 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 3 39 1 0 38 39 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 28 29 30 31 M SBL 1 1 28 M SMT 1 COOMe M SBV 1 28 -4.6851 2.5976 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 32 33 34 35 36 37 M SBL 2 1 32 M SMT 2 Ph M SBV 2 32 -4.3279 3.1058 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 38 39 M SBL 3 1 39 M SMT 3 MeO M SBV 3 39 -5.3591 4.0265 M END
COC(=O)C(COC(=O)C(COC(=O)C(C)C)Cc1ccccc1)NC(=O)c1nccc(OC)c1OC(C)=O
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Branch1][C][C][=O]
InChI=1S/C27H32N2O10/c1-16(2)25(32)37-14-19(13-18-9-7-6-8-10-18)26(33)38-15-20(27(34)36-5)29-24(31)22-23(39-17(3)30)21(35-4)11-12-28-22/h6-12,16,19-20H,13-15H2,1-5H3,(H,29,31)
USRE039991-20080101-C00480
0394.cdx ChemDraw09280710582D 35 36 0 0 0 0 0 0 0 0999 V2000 -2.8875 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.8579 0.0000 C 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 -1.6500 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.7145 0.0000 O 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 -0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.0000 0.0000 O 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 1.6500 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.4289 0.0000 C 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 -0.8250 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.7145 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 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 19 21 1 0 19 22 1 0 15 23 2 0 15 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 3 29 1 0 28 29 1 0 22 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 30 35 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 28 M SMT 1 MeO M SBV 1 28 -5.3591 4.9951 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 30 31 32 33 34 35 M SBL 2 1 30 M SMT 2 Ph M SBV 2 30 -4.3279 4.0744 M END
COc1ccnc(C(=O)NC(COC(=O)C(C)Cc2ccccc2)C(=O)OC(C)C)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][=N][O][C][Branch1][C][C][=O]
InChI=1S/C25H30N2O8/c1-15(2)34-25(31)19(14-33-24(30)16(3)13-18-9-7-6-8-10-18)27-23(29)21-22(35-17(4)28)20(32-5)11-12-26-21/h6-12,15-16,19H,13-14H2,1-5H3,(H,27,29)
USRE039991-20080101-C00481
0395.cdx ChemDraw09280713182D 42 43 0 0 0 0 0 0 0 0999 V2000 -2.8875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.0717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 1.2780 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 8 9 2 0 8 10 1 0 1 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 20 2 0 15 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 18 25 2 0 19 26 1 0 19 27 1 0 26 28 1 0 26 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 30 34 2 0 27 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 35 40 1 0 3 42 1 0 41 42 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 6 35 36 37 38 39 40 M SBL 1 1 35 M SMT 1 Ph M SBV 1 35 -4.3279 3.7172 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 42 M SMT 2 MeO M SBV 2 42 -5.3591 4.6379 M END
COc1ccnc(C(=O)NC(COC(=O)C(Cc2ccccc2)C(C)OC(=O)C(C)C)C(=O)OC(C)C)c1OC(C)=O
[C][O][C][=C][C][=N][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring2][Ring2][O][C][Branch1][C][C][=O]
InChI=1S/C30H38N2O10/c1-17(2)28(35)41-19(5)22(15-21-11-9-8-10-12-21)29(36)39-16-23(30(37)40-18(3)4)32-27(34)25-26(42-20(6)33)24(38-7)13-14-31-25/h8-14,17-19,22-23H,15-16H2,1-7H3,(H,32,34)