id stringlengths 20 25 | image imagewidth (px) 504 1.26k | mol stringlengths 418 4.07k | smiles stringlengths 5 125 | selfies stringlengths 15 465 | inchi stringlengths 36 179 |
|---|---|---|---|---|---|
maybridge-0368-821085188 |
OpenBabel08311118392D
17 19 0 0 0 0 0 0 0 0999 V2000
0.3090 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.0570 0.0000 C 0 0 0 0... | Cc1c(-c2ccccc2)sc2ncnc(Cl)c12 | [C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][S][Ring1][#Branch1] | InChI=1S/C13H9ClN2S/c1-8-10-12(14)15-7-16-13(10)17-11(8)9-5-3-2-4-6-9/h2-7H,1H3 | |
maybridge-0455-749476479 |
OpenBabel08311118482D
14 15 0 0 0 0 0 0 0 0999 V2000
-0.6386 -1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -0.0000 0.0000 C 0 0 0 0... | Cc1nccn1-c1ccc(C#N)cc1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | InChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,1H3 | |
maybridge-0421-532556110 |
OpenBabel08311118392D
15 16 0 0 0 0 0 0 0 0999 V2000
-0.5759 2.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5116 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5116 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6456 -1.5933 0.0000 C 0 0 0 0... | Cc1nc(-c2ccccc2)sc1N=C=O | [C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][N][=C][=O] | InChI=1S/C11H8N2OS/c1-8-10(12-7-14)15-11(13-8)9-5-3-2-4-6-9/h2-6H,1H3 | |
maybridge-0382-865805804 |
OpenBabel08311118442D
8 8 0 0 0 0 0 0 0 0999 V2000
-0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8090 -0.5878 0.0000 C 0 0 0 0... | Cn1cncc1CO | [C][N][C][=N][C][=C][Ring1][Branch1][C][O] | InChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2,4,8H,3H2,1H3 | |
maybridge-0529-918689503 |
OpenBabel08311118492D
11 11 0 0 0 0 0 0 0 0999 V2000
-1.0828 1.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0339 1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6180 0.0000 0.0000 C 0 0 0 0... | CCOC(=O)c1csc(=N)[nH]1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1] | InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8) | |
maybridge-0125-543284614 |
OpenBabel08311118392D
12 13 0 0 0 0 0 0 0 0999 V2000
3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 0.5000 0.0000 C 0 0 0 0... | Nc1cc2ccccc2c(Br)n1 | [N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Br][=N][Ring1][O] | InChI=1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12) | |
maybridge-0469-313239906 |
OpenBabel08311118442D
12 13 0 0 0 0 0 0 0 0999 V2000
-3.2709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 0.8090 0.0000 C 0 0 0 0... | N#Cc1sc(Br)c2c1OCCO2 | [N][#C][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][O][C][C][O][Ring1][=Branch1] | InChI=1S/C7H4BrNO2S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h1-2H2 | |
maybridge-0545-18707882 |
OpenBabel08311118392D
14 15 0 0 0 0 0 0 0 0999 V2000
-2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.6180 0.0000 C 0 0 0 0... | O=C(CBr)c1cc2cc(Br)ccc2o1 | [O][=C][Branch1][Ring1][C][Br][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | InChI=1S/C10H6Br2O2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2 | |
maybridge-0399-827277597 |
OpenBabel08311118422D
20 21 0 0 0 0 0 0 0 0999 V2000
1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 1.0000 0.0000 C 0 0 0 0... | OCCN1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1 | [O][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P] | InChI=1S/C12H15ClF3N3O/c13-9-7-10(12(14,15)16)11(17-8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2 | |
maybridge-0013-605710457 |
OpenBabel08311118482D
11 11 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.5000 0.0000 C 0 0 0 0... | Cc1cc(Cl)cc(C=O)c1O | [C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2][O] | InChI=1S/C8H7ClO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3 | |
maybridge-0318-193782226 |
OpenBabel08311118482D
9 9 0 0 0 0 0 0 0 0999 V2000
-2.4890 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8090 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0878 -2.3479 0.0000 C 0 0 0 0... | CNCc1ccsc1Br | [C][N][C][C][C][=C][S][C][=Ring1][Branch1][Br] | InChI=1S/C6H8BrNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3 | |
maybridge-0026-287522378 |
OpenBabel08311118382D
14 15 0 0 0 0 0 0 0 0999 V2000
-0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -1.0000 0.0000 C 0 0 0 0... | O=Cc1ccc(N2CCOCC2)nc1 | [O][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N] | InChI=1S/C10H12N2O2/c13-8-9-1-2-10(11-7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2 | |
maybridge-0137-1066170794 |
OpenBabel08311118402D
21 22 0 0 0 0 0 0 0 0999 V2000
2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9641 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0... | CC(C)(C)OC(=O)N1CCN(c2cc(C#N)ccn2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][C][C][Ring1][=C] | InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-10-12(11-16)4-5-17-13/h4-5,10H,6-9H2,1-3H3 | |
maybridge-0339-425754548 |
OpenBabel08311118382D
16 17 0 0 0 0 0 0 0 0999 V2000
0.9781 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0646 -2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4781 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5827 -1.1499 0.0000 C 0 0 0 0... | CC1(C)OB(c2ccc(Br)nc2)OC1(C)C | [C][C][Branch1][C][C][O][B][Branch1][N][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][O][C][Ring1][=N][Branch1][C][C][C] | InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3 | |
maybridge-0428-352508339 |
OpenBabel08311118382D
11 11 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0... | Cc1cccc(Cl)c1N=C=S | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][=S] | InChI=1S/C8H6ClNS/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3 | |
maybridge-0044-800019073 |
OpenBabel08311118392D
14 14 0 0 0 0 0 0 0 0999 V2000
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.8660 0.0000 C 0 0 0 0... | N=C(CS(=O)(=O)c1ccccc1)NO | [N][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O] | InChI=1S/C8H10N2O3S/c9-8(10-11)6-14(12,13)7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10) | |
maybridge-0159-721946579 |
OpenBabel08311118382D
13 14 0 0 0 0 0 0 0 0999 V2000
3.2709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2709 -0.5000 0.0000 C 0 0 0 0... | O=C(O)c1n[nH]c2ccc(Br)cc12 | [O][=C][Branch1][C][O][C][=N][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1] | InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13) | |
maybridge-0256-936515810 |
OpenBabel08311118472D
13 14 0 0 0 0 0 0 0 0999 V2000
-0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -1.8090 0.0000 C 0 0 0 0... | Cn1nnc2cc(C(=O)Cl)ccc21 | [C][N][N][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=C][C][=C][Ring1][=Branch2][Ring1][N] | InChI=1S/C8H6ClN3O/c1-12-7-3-2-5(8(9)13)4-6(7)10-11-12/h2-4H,1H3 | |
maybridge-0120-709960176 |
OpenBabel08311118392D
11 11 0 0 0 0 0 0 0 0999 V2000
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.5000 0.0000 C 0 0 0 0... | COc1nc(=N)nc(SC)[nH]1 | [C][O][C][=N][C][=Branch1][C][=N][N][=C][Branch1][Ring1][S][C][NH1][Ring1][=Branch2] | InChI=1S/C5H8N4OS/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9) | |
maybridge-0022-176610855 |
OpenBabel08311118492D
12 12 0 0 0 0 0 0 0 0999 V2000
0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0... | COc1cc(Br)cc(C=O)c1O | [C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2][O] | InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3 | |
maybridge-0451-1049509684 |
OpenBabel08311118472D
11 11 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -0.5000 0.0000 C 0 0 0 0... | N#Cc1ccc(B(O)O)cc1 | [N][#C][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=Branch2] | InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H | |
maybridge-0196-938814830 |
OpenBabel08311118392D
14 15 0 0 0 0 0 0 0 0999 V2000
3.9076 0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3364 1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7916 2.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9941 0.9523 0.0000 C 0 0 0 0... | Cc1nc(-c2cc(C(=O)O)no2)cs1 | [C][C][=N][C][Branch1][#C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][O][Ring1][Branch2][=C][S][Ring1][=N] | InChI=1S/C8H6N2O3S/c1-4-9-6(3-14-4)7-2-5(8(11)12)10-13-7/h2-3H,1H3,(H,11,12) | |
maybridge-0047-667207496 |
OpenBabel08311118382D
8 8 0 0 0 0 0 0 0 0999 V2000
-1.0878 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7601 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 -0.5878 0.0000 C 0 0 0 0... | Cn1cnc(CN)c1 | [C][N][C][=N][C][Branch1][Ring1][C][N][=C][Ring1][#Branch1] | InChI=1S/C5H9N3/c1-8-3-5(2-6)7-4-8/h3-4H,2,6H2,1H3 | |
maybridge-0037-139219285 |
OpenBabel08311118392D
13 14 0 0 0 0 0 0 0 0999 V2000
-4.4347 3.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5686 2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7026 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 2.9945 0.0000 C 0 0 0 0... | C#Cc1ccc(-c2cnco2)cc1 | [C][#C][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O] | InChI=1S/C11H7NO/c1-2-9-3-5-10(6-4-9)11-7-12-8-13-11/h1,3-8H | |
maybridge-0546-1031814757 |
OpenBabel08311118412D
12 13 0 0 0 0 0 0 0 0999 V2000
-3.2709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 0.8090 0.0000 C 0 0 0 0... | O=Cc1sc(Br)c2c1OCCO2 | [O][=C][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][O][C][C][O][Ring1][=Branch1] | InChI=1S/C7H5BrO3S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h3H,1-2H2 | |
maybridge-0436-999989758 |
OpenBabel08311118452D
14 14 0 0 0 0 0 0 0 0999 V2000
1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0... | CCOC(=O)C(=O)c1ccc(C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | InChI=1S/C11H12O3/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 | |
maybridge-0463-197395632 |
OpenBabel08311118402D
12 12 0 0 0 0 0 0 0 0999 V2000
0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.5000 0.0000 C 0 0 0 0... | CSc1nc(C=O)ccc1C#N | [C][S][C][=N][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][C][#N] | InChI=1S/C8H6N2OS/c1-12-8-6(4-9)2-3-7(5-11)10-8/h2-3,5H,1H3 | |
maybridge-0217-372206807 |
OpenBabel08311118452D
11 11 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.5000 0.0000 C 0 0 0 0... | Cc1cc(C(=O)O)cc(Cl)n1 | [C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][Cl][=N][Ring1][#Branch2] | InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3H,1H3,(H,10,11) | |
maybridge-0260-253273200 |
OpenBabel08311118452D
15 17 0 0 0 0 0 0 0 0999 V2000
2.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8660 -0.5000 0.0000 C 0 0 0 0... | O=C(Cl)c1cccc2c1-c1ccccc1-2 | [O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][Branch2] | InChI=1S/C13H7ClO/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H | |
maybridge-0180-137533616 |
OpenBabel08311118442D
12 13 0 0 0 0 0 0 0 0999 V2000
2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 0.8090 0.0000 C 0 0 0 0... | OB(O)c1ccc2c(c1)CCO2 | [O][B][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | InChI=1S/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2 | |
maybridge-0013-267661299 |
OpenBabel08311118402D
11 11 0 0 0 0 0 0 0 0999 V2000
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -0.5000 0.0000 C 0 0 0 0... | O=Cc1cccc(B(O)O)c1 | [O][=C][C][=C][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][Ring1][=Branch2] | InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H | |
maybridge-0494-660736567 |
OpenBabel08311118452D
15 15 0 0 0 0 0 0 0 0999 V2000
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.8660 0.0000 C 0 0 0 0... | O=S(=O)(Cl)c1c(F)c(F)c(F)c(F)c1F | [O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] | InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12 | |
maybridge-0383-544189000 |
OpenBabel08311118482D
14 15 0 0 0 0 0 0 0 0999 V2000
2.7026 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8366 0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4781 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 -1.4013 0.0000 C 0 0 0 0... | OCc1ccc(Oc2cccnc2)o1 | [O][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][N] | InChI=1S/C10H9NO3/c12-7-9-3-4-10(14-9)13-8-2-1-5-11-6-8/h1-6,12H,7H2 | |
maybridge-0415-989845836 |
OpenBabel08311118472D
9 9 0 0 0 0 0 0 0 0999 V2000
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.5000 0.0000 C 0 0 0 0... | Oc1nncc(Cl)c1Cl | [O][C][=N][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9) | |
maybridge-0395-508821865 |
OpenBabel08311118422D
10 10 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -0.5000 0.0000 C 0 0 0 0... | OCCc1ccc(Br)cc1 | [O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2 | |
maybridge-0453-884677900 |
OpenBabel08311118422D
13 14 0 0 0 0 0 0 0 0999 V2000
2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -2.0000 0.0000 C 0 0 0 0... | N#Cc1ccccc1-n1cccn1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] | InChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H | |
maybridge-0190-219463229 |
OpenBabel08311118382D
15 16 0 0 0 0 0 0 0 0999 V2000
3.3317 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5886 0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9250 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -0.5000 0.0000 C 0 0 0 0... | O=C(O)C1CC(=O)N(Cc2ccco2)C1 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][N] | InChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14) | |
maybridge-0147-343738979 |
OpenBabel08311118422D
7 7 0 0 0 0 0 0 0 0999 V2000
1.6180 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8090 -0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 1.7601 0.0000 N 0 0 0 0... | Nc1cc(O)n[nH]1 | [N][C][=C][C][Branch1][C][O][=N][NH1][Ring1][=Branch1] | InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7) | |
maybridge-0259-302975068 |
OpenBabel08311118422D
13 14 0 0 0 0 0 0 0 0999 V2000
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 0.5000 0.0000 C 0 0 0 0... | O=C(Cl)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][C][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | InChI=1S/C9H7ClO3/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2 | |
maybridge-0546-64992874 |
OpenBabel08311118422D
12 13 0 0 0 0 0 0 0 0999 V2000
-2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3090 2.5691 0.0000 C 0 0 0 0... | ClCc1csc2ccc(Br)cc12 | [Cl][C][C][=C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1] | InChI=1S/C9H6BrClS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4H2 | |
maybridge-0091-320882374 |
OpenBabel08311118382D
8 8 0 0 0 0 0 0 0 0999 V2000
1.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5691 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6180 -0.0000 0.0000 C 0 0 0 0... | N#Cc1ccsc1N | [N][#C][C][C][=C][S][C][=Ring1][Branch1][N] | InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2 | |
maybridge-0415-890219510 |
OpenBabel08311118482D
8 8 0 0 0 0 0 0 0 0999 V2000
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0000 0.0000 C 0 0 0 0... | Oc1cc(Cl)ncn1 | [O][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1] | InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8) | |
maybridge-0236-393200874 |
OpenBabel08311118392D
15 16 0 0 0 0 0 0 0 0999 V2000
1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -2.0000 0.0000 C 0 0 0 0... | Cc1nc2ccc(C(=O)O)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][=C][Ring1][=N][C] | InChI=1S/C11H10N2O2/c1-6-7(2)13-10-5-8(11(14)15)3-4-9(10)12-6/h3-5H,1-2H3,(H,14,15) | |
maybridge-0093-473719625 |
OpenBabel08311118452D
17 18 0 0 0 0 0 0 0 0999 V2000
1.8447 -2.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7796 1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 1.5933 0.0000 C 0 0 0 0... | COC(=O)c1sc(-c2ccc(F)cc2)cc1N | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][N] | InChI=1S/C12H10FNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3 | |
maybridge-0210-1039553507 |
OpenBabel08311118392D
17 18 0 0 0 0 0 0 0 0999 V2000
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3147 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8147 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 0.4067 0.0000 C 0 0 0 0... | COc1ccc(C(=O)O)cc1OC1CCCC1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O][C][C][C][C][C][Ring1][Branch1] | InChI=1S/C13H16O4/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15) | |
maybridge-0187-934910619 |
OpenBabel08311118462D
16 17 0 0 0 0 0 0 0 0999 V2000
1.1215 1.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -0.0000 0.0000 C 0 0 0 0... | Cc1c(C(=O)O)cnn1-c1ccc(F)cc1 | [C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16) | |
maybridge-0013-821825341 |
OpenBabel08311118422D
12 12 0 0 0 0 0 0 0 0999 V2000
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0... | C=CCc1c(O)cccc1C=O | [C][=C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=O] | InChI=1S/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2 | |
maybridge-0511-380538750 |
OpenBabel08311118392D
15 16 0 0 0 0 0 0 0 0999 V2000
-0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -1.8090 0.0000 C 0 0 0 0... | Cn1c(S)nc2cc(C(F)(F)F)ccc21 | [C][N][C][Branch1][C][S][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][=C] | InChI=1S/C9H7F3N2S/c1-14-7-3-2-5(9(10,11)12)4-6(7)13-8(14)15/h2-4H,1H3,(H,13,15) | |
maybridge-0225-141855792 |
OpenBabel08311118392D
12 13 0 0 0 0 0 0 0 0999 V2000
0.8926 1.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7852 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9232 -0.5154 0.0000 C 0 0 0 0... | O=C(O)C1CC2CC1CCC2O | [O][=C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][=Branch1][O] | InChI=1S/C9H14O3/c10-8-2-1-5-3-6(8)4-7(5)9(11)12/h5-8,10H,1-4H2,(H,11,12) | |
maybridge-0488-473463323 |
OpenBabel08311118422D
18 19 0 0 0 0 0 0 0 0999 V2000
2.5388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2989 -0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3479 -1.0878 0.0000 C 0 0 0 0... | O=S(=O)(Cl)c1ccc(-c2cc(C(F)(F)F)on2)s1 | [O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][N][=Ring1][=Branch2][S][Ring1][=C] | InChI=1S/C8H3ClF3NO3S2/c9-18(14,15)7-2-1-5(17-7)4-3-6(16-13-4)8(10,11)12/h1-3H | |
maybridge-0019-1000186923 |
OpenBabel08311118492D
14 15 0 0 0 0 0 0 0 0999 V2000
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0... | O=Cc1cccc(N2CCOCC2)c1 | [O][=C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N] | InChI=1S/C11H13NO2/c13-9-10-2-1-3-11(8-10)12-4-6-14-7-5-12/h1-3,8-9H,4-7H2 | |
maybridge-0136-986387756 |
OpenBabel08311118422D
26 29 0 0 0 0 0 0 0 0999 V2000
5.9130 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3777 -2.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0680 1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 -2.4394 0.0000 C 0 0 0 0... | O=C(O)C1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 | [O][=C][Branch1][C][O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | InChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24) | |
maybridge-0165-622383459 |
OpenBabel08311118462D
20 21 0 0 0 0 0 0 0 0999 V2000
0.2590 3.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0022 2.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9271 2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 -0.3090 0.0000 C 0 0 0 0... | CC(C)(C)OC(=O)n1cc(C(=O)O)c2c(Br)cccc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Ring1][=N] | InChI=1S/C14H14BrNO4/c1-14(2,3)20-13(19)16-7-8(12(17)18)11-9(15)5-4-6-10(11)16/h4-7H,1-3H3,(H,17,18) | |
maybridge-0032-965423423 |
OpenBabel08311118482D
11 12 0 0 0 0 0 0 0 0999 V2000
2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5491 -1.8090 0.0000 C 0 0 0 0... | O=Cc1ccc2snnc2c1 | [O][=C][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | InChI=1S/C7H4N2OS/c10-4-5-1-2-7-6(3-5)8-9-11-7/h1-4H | |
maybridge-0109-851885009 |
OpenBabel08311118422D
14 14 0 0 0 0 0 0 0 0999 V2000
-0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0... | COC(=O)c1cccc(C(=O)O)c1N | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N] | InChI=1S/C9H9NO4/c1-14-9(13)6-4-2-3-5(7(6)10)8(11)12/h2-4H,10H2,1H3,(H,11,12) | |
maybridge-0500-338388946 |
OpenBabel08311118452D
13 14 0 0 0 0 0 0 0 0999 V2000
1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 -0.0000 0.0000 C 0 0 0 0... | O=S(=O)(Cl)c1ccc2nsnc2c1 | [O][=S][=Branch1][C][=O][Branch1][C][Cl][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | InChI=1S/C6H3ClN2O2S2/c7-13(10,11)4-1-2-5-6(3-4)9-12-8-5/h1-3H | |
maybridge-0107-202482294 |
OpenBabel08311118472D
13 13 0 0 0 0 0 0 0 0999 V2000
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.5000 0.0000 C 0 0 0 0... | N#Cc1ccc(N)cc1C(F)(F)F | [N][#C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2 | |
maybridge-0076-794776150 |
OpenBabel08311118382D
14 15 0 0 0 0 0 0 0 0999 V2000
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0... | N#Cc1ccc(N2CCNCC2)cc1 | [N][#C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N] | InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2 | |
maybridge-0060-1004992770 |
OpenBabel08311118492D
14 15 0 0 0 0 0 0 0 0999 V2000
-5.2437 0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5116 0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 -0.4067 0.0000 C 0 0 0 0... | CNCc1ccc(-c2nccs2)cc1 | [C][N][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O] | InChI=1S/C11H12N2S/c1-12-8-9-2-4-10(5-3-9)11-13-6-7-14-11/h2-7,12H,8H2,1H3 | |
maybridge-0190-944901015 |
OpenBabel08311118402D
9 9 0 0 0 0 0 0 0 0999 V2000
0.8090 -1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8090 -0.5878 0.0000 C 0 0 0 0... | Cc1occc1C(=O)O | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][O] | InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8) | |
maybridge-0299-36751059 |
OpenBabel08311118392D
10 10 0 0 0 0 0 0 0 0999 V2000
1.8968 -1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8090 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5691 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3122 -0.3601 0.0000 C 0 0 0 0... | Cc1n[nH]c(C)c1CCBr | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][Br] | InChI=1S/C7H11BrN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10) | |
maybridge-0338-420469512 |
OpenBabel08311118452D
8 8 0 0 0 0 0 0 0 0999 V2000
1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0... | Fc1ncccc1I | [F][C][=N][C][=C][C][=C][Ring1][=Branch1][I] | InChI=1S/C5H3FIN/c6-5-4(7)2-1-3-8-5/h1-3H | |
maybridge-0137-239793765 |
OpenBabel08311118392D
17 18 0 0 0 0 0 0 0 0999 V2000
6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 0.0000 0.0000 C 0 0 0 0... | O=C(OCc1ccccc1)N1CCN=C(O)C1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][=C][Branch1][C][O][C][Ring1][#Branch1] | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | |
maybridge-0442-792934011 |
OpenBabel08311118452D
13 14 0 0 0 0 0 0 0 0999 V2000
2.0878 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 1.8090 0.0000 C 0 0 0 0... | CC(=O)c1cc2cc(Cl)ccc2o1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | InChI=1S/C10H7ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3 | |
maybridge-0237-989277900 |
OpenBabel08311118422D
14 15 0 0 0 0 0 0 0 0999 V2000
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0... | O=C(O)c1ccc2c(c1)N=C(O)CO2 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][O][Ring1][Branch2] | InChI=1S/C9H7NO4/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13) | |
maybridge-0224-521368898 |
OpenBabel08131118352D
16 17 0 0 0 0 0 0 0 0999 V2000
5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 1.5000 0.0000 C 0 0 0 0... | O=C(O)C1CN(Cc2ccccc2)CCO1 | [O][=C][Branch1][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N] | InChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15) | |
maybridge-0358-335383717 |
OpenBabel08311118422D
9 9 0 0 0 0 0 0 0 0999 V2000
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 0.5000 0.0000 C 0 0 0 0... | N#Cc1cccnc1Cl | [N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl] | InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H | |
maybridge-0156-571266037 |
OpenBabel08311118382D
12 13 0 0 0 0 0 0 0 0999 V2000
-2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5878 0.8090 0.0000 C 0 0 0 0... | O=Cc1c[nH]c2ccc(Br)cc12 | [O][=C][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1] | InChI=1S/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H | |
maybridge-0052-471276158 |
OpenBabel08311118382D
15 15 0 0 0 0 0 0 0 0999 V2000
3.0981 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2321 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2321 3.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3660 2.2024 0.0000 C 0 0 0 0... | Cl.NCc1csc(-c2ccc(Cl)cc2)n1 | [Cl].[N][C][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | InChI=1S/C10H9ClN2S.ClH/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10;/h1-4,6H,5,12H2;1H | |
maybridge-0211-15189613 |
OpenBabel08311118392D
19 20 0 0 0 0 0 0 0 0999 V2000
3.3801 -2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6730 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3461 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8978 -0.7765 0.0000 C 0 0 0 0... | CCOc1c(Nc2ccc(C(=O)O)cc2)c(=O)c1=O | [C][C][O][C][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring1][#C][=O] | InChI=1S/C13H11NO5/c1-2-19-12-9(10(15)11(12)16)14-8-5-3-7(4-6-8)13(17)18/h3-6,14H,2H2,1H3,(H,17,18) | |
maybridge-0016-601260046 |
OpenBabel08311118462D
14 15 0 0 0 0 0 0 0 0999 V2000
3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 -0.0000 0.0000 C 0 0 0 0... | O=Cc1ccc(-c2cncnc2)cc1 | [O][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N] | InChI=1S/C11H8N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-8H | |
maybridge-0148-615012432 |
OpenBabel08311118482D
8 8 0 0 0 0 0 0 0 0999 V2000
-1.7601 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5000 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 0.5878 0.0000 C 0 0 0 0... | N#Cc1n[nH]cc1Br | [N][#C][C][=N][NH1][C][=C][Ring1][Branch1][Br] | InChI=1S/C4H2BrN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8) | |
maybridge-0038-237169443 |
OpenBabel08311118462D
12 13 0 0 0 0 0 0 0 0999 V2000
4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 2.0000 0.0000 C 0 0 0 0... | C#Cc1ccc2nccnc2c1 | [C][#C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | InChI=1S/C10H6N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-7H | |
maybridge-0014-930215794 |
OpenBabel08311118452D
13 14 0 0 0 0 0 0 0 0999 V2000
-1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0827 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0... | O=Cc1cccc(-n2cccn2)c1 | [O][=C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O] | InChI=1S/C10H8N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-8H | |
maybridge-0393-279308574 |
OpenBabel08311118452D
17 18 0 0 0 0 0 0 0 0999 V2000
2.2105 2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7818 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 -0.5000 0.0000 C 0 0 0 0... | CN1CCCN(Cc2ccc(CO)cc2)CC1 | [C][N][C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][C][Ring1][S] | InChI=1S/C14H22N2O/c1-15-7-2-8-16(10-9-15)11-13-3-5-14(12-17)6-4-13/h3-6,17H,2,7-12H2,1H3 | |
maybridge-0085-725213792 |
OpenBabel08311118392D
14 15 0 0 0 0 0 0 0 0999 V2000
-2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.5000 0.0000 C 0 0 0 0... | O=C(O)C1Cc2cc(O)ccc2CN1 | [O][=C][Branch1][C][O][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O] | InChI=1S/C10H11NO3/c12-8-2-1-6-5-11-9(10(13)14)4-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14) | |
maybridge-0123-681598386 |
OpenBabel08311118432D
10 11 0 0 0 0 0 0 0 0999 V2000
2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 0.1910 0.0000 C 0 0 0 0... | N=c1[nH]oc2ccccc12 | [N][=C][NH1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9) | |
maybridge-0277-244811505 |
OpenBabel08311118452D
12 12 0 0 0 0 0 0 0 0999 V2000
-0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0... | COC(=O)c1cc(Cl)ccc1O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] | InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3 | |
maybridge-0455-814852914 |
OpenBabel08311118422D
14 15 0 0 0 0 0 0 0 0999 V2000
-1.0827 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 1.0000 0.0000 C 0 0 0 0... | N#Cc1ccc(Cn2cccn2)cc1 | [N][#C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N] | InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2 | |
maybridge-0475-900300254 |
OpenBabel08311118452D
16 17 0 0 0 0 0 0 0 0999 V2000
-0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 1.5000 0.0000 C 0 0 0 0... | O=[N+]([O-])c1cccc(Oc2ccccn2)c1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N] | InChI=1S/C11H8N2O3/c14-13(15)9-4-3-5-10(8-9)16-11-6-1-2-7-12-11/h1-8H | |
maybridge-0332-994818721 |
OpenBabel08311118452D
13 14 0 0 0 0 0 0 0 0999 V2000
-2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0827 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4641 -1.0000 0.0000 C 0 0 0 0... | Ic1cccc(Cn2cccn2)c1 | [I][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][N] | InChI=1S/C10H9IN2/c11-10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8H2 | |
maybridge-0090-969786836 |
OpenBabel08311118452D
15 16 0 0 0 0 0 0 0 0999 V2000
1.9487 -2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6808 -1.7024 0.0000 C 0 0 0 0... | N#Cc1c(-c2ccc(Cl)cc2)[nH][nH]c1=N | [N][#C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][NH1][C][Ring1][N][=N] | InChI=1S/C10H7ClN4/c11-7-3-1-6(2-4-7)9-8(5-12)10(13)15-14-9/h1-4H,(H3,13,14,15) | |
maybridge-0166-319130543 |
OpenBabel08311118392D
21 22 0 0 0 0 0 0 0 0999 V2000
0.2590 3.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0022 2.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9271 2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2812 0.1910 0.0000 C 0 0 0 0... | COC(=O)c1ccc2c(I)cn(C(=O)OC(C)(C)C)c2c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][I][=C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=C][Ring1][P] | InChI=1S/C15H16INO4/c1-15(2,3)21-14(19)17-8-11(16)10-6-5-9(7-12(10)17)13(18)20-4/h5-8H,1-4H3 | |
maybridge-0288-171264340 |
OpenBabel08311118452D
8 8 0 0 0 0 0 0 0 0999 V2000
0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0.0000 C 0 0 0 0... | O=C1COC(=O)CO1 | [O][=C][C][O][C][=Branch1][C][=O][C][O][Ring1][#Branch1] | InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2 | |
maybridge-0274-820625334 |
OpenBabel08311118452D
19 20 0 0 0 0 0 0 0 0999 V2000
2.6516 -2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9607 -3.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.8090 0.0000 C 0 0 0 0... | CCOC(=O)c1nc(-c2ccc(S(=O)(=O)Cl)s2)no1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][S][Ring1][=Branch2][=N][O][Ring1][=C] | InChI=1S/C9H7ClN2O5S2/c1-2-16-9(13)8-11-7(12-17-8)5-3-4-6(18-5)19(10,14)15/h3-4H,2H2,1H3 | |
maybridge-0266-1014579549 |
OpenBabel08311118392D
13 13 0 0 0 0 0 0 0 0999 V2000
-0.7688 2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7634 2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -0.9511 0.0000 C 0 0 0 0... | CCOC(=O)Cn1cnc(Cl)c1Cl | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][Cl][=C][Ring1][=Branch1][Cl] | InChI=1S/C7H8Cl2N2O2/c1-2-13-5(12)3-11-4-10-6(8)7(11)9/h4H,2-3H2,1H3 | |
maybridge-0236-643250670 |
OpenBabel08311118422D
13 14 0 0 0 0 0 0 0 0999 V2000
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -0.0000 0.0000 C 0 0 0 0... | O=C(O)c1ccc2c(c1)CCCN2 | [O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1] | InChI=1S/C10H11NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H,12,13) | |
maybridge-0020-481946026 |
OpenBabel08311118482D
15 16 0 0 0 0 0 0 0 0999 V2000
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.5000 0.0000 C 0 0 0 0... | O=Cc1ccc(CN2CCCCC2)cc1 | [O][=C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N] | InChI=1S/C13H17NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,11H,1-3,8-10H2 | |
maybridge-0230-579794589 |
OpenBabel08311118392D
14 15 0 0 0 0 0 0 0 0999 V2000
2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 -1.3090 0.0000 C 0 0 0 0... | O=C1Nc2c(C(=O)O)cccc2C1=O | [O][=C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][C][Ring1][N][=O] | InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12) | |
maybridge-0119-132973406 |
OpenBabel08311118452D
18 19 0 0 0 0 0 0 0 0999 V2000
3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -3.0000 0.0000 C 0 0 0 0... | CSc1nc(-c2ccc(C)cc2)[nH]c(=N)c1C#N | [C][S][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=N][C][=Ring1][=C][C][#N] | InChI=1S/C13H12N4S/c1-8-3-5-9(6-4-8)12-16-11(15)10(7-14)13(17-12)18-2/h3-6H,1-2H3,(H2,15,16,17) | |
maybridge-0094-717543408 |
OpenBabel08311118392D
19 20 0 0 0 0 0 0 0 0999 V2000
-4.8776 2.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8776 2.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2437 1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7796 1.0933 0.0000 C 0 0 0 0... | CC(C)(C)c1ccc(-c2cc(N)c(C(N)=O)s2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][=Branch2][C][=C][Ring1][#C] | InChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)12-8-11(16)13(19-12)14(17)18/h4-8H,16H2,1-3H3,(H2,17,18) | |
maybridge-0393-447064713 |
OpenBabel08311118412D
17 18 0 0 0 0 0 0 0 0999 V2000
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 -0.5000 0.0000 C 0 0 0 0... | OCc1cccc(OCCN2CCOCC2)c1 | [O][C][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C] | InChI=1S/C13H19NO3/c15-11-12-2-1-3-13(10-12)17-9-6-14-4-7-16-8-5-14/h1-3,10,15H,4-9,11H2 | |
maybridge-0328-373544081 |
OpenBabel08311118452D
14 15 0 0 0 0 0 0 0 0999 V2000
-0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 2.0000 0.0000 C 0 0 0 0... | Brc1ccc(Oc2ccccn2)cc1 | [Br][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N] | InChI=1S/C11H8BrNO/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H | |
maybridge-0078-270140056 |
OpenBabel08311118452D
17 18 0 0 0 0 0 0 0 0999 V2000
1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 1.0000 0.0000 C 0 0 0 0... | FC(F)(F)c1cnc(N2CCNCC2)c(Cl)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N] | InChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17/h5-6,15H,1-4H2 | |
maybridge-0002-20741494 |
OpenBabel08311118462D
14 15 0 0 0 0 0 0 0 0999 V2000
1.0827 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5827 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 2.0000 0.0000 C 0 0 0 0... | O=Cc1cccn1-c1ccc(I)cc1 | [O][=C][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] | InChI=1S/C11H8INO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H | |
maybridge-0325-1071691034 |
OpenBabel08311118482D
12 12 0 0 0 0 0 0 0 0999 V2000
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 1.0000 0.0000 C 0 0 0 0... | CCCCCc1ccc(Br)cc1 | [C][C][C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3 | |
maybridge-0475-718990777 |
OpenBabel08311118442D
15 15 0 0 0 0 0 0 0 0999 V2000
1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0000 0.0000 C 0 0 0 0... | CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] | [C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1] | InChI=1S/C8H7F3N2O2/c1-12-6-3-2-5(8(9,10)11)4-7(6)13(14)15/h2-4,12H,1H3 | |
maybridge-0529-242092728 |
OpenBabel08311118482D
12 12 0 0 0 0 0 0 0 0999 V2000
0.7202 -4.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0878 -2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3135 -3.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -1.5388 0.0000 C 0 0 0 0... | CCOC(=O)c1c(C)nsc1N | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N] | InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3,8H2,1-2H3 | |
maybridge-0058-254470861 |
OpenBabel08311118402D
14 14 0 0 0 0 0 0 0 0999 V2000
0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.5000 0.0000 C 0 0 0 0... | CN(C)CCOc1ccc(CN)cc1 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2] | InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3 | |
maybridge-0344-967165077 |
OpenBabel08311118422D
13 14 0 0 0 0 0 0 0 0999 V2000
-0.0000 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 0.3090 0.0000 C 0 0 0 0... | O=C(Cl)c1cc(Br)cc2c1OCC2 | [O][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1] | InChI=1S/C9H6BrClO2/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2 |
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