0 B8R1.11 CSc1nccn1C T8612 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [0,1,0,0,0,0|2,0,0]=3 2 B9R1.33 Cn1cncc1CCN T4940 [0,1,0,0,0,0|2,0,1]=4 3 B9R1.2 CNc1cccc(C)c1 T0557 [0,0,0,0,0,1|3,0,0]=4 4 B9R1.2 O=Cc1cccc(O)c1 T4778 [0,0,0,0,0,1|2,0,0]=3 5 B6R1.2 C[C-]1C=CC=C1 T20558 [2,0,0,0,0,0|1,0,0]=3 6 B6R1.2 Cn1ccnc1 T0575 [2,0,0,0,0,0|1,0,0]=3 7 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,1,0,0,0,0|1,0,0]=3 8 B8R1.7 O=C(O)C1=NC=NN1 T1371 [1,1,0,0,0,0|2,0,0]=4 9 B8R1.7 O=C(O)c1ccco1 T5544 [1,1,0,0,0,0|1,0,0]=3 10 B8R1.7 O=C(O)c1ccoc1 T5277 [1,1,0,0,0,0|2,0,0]=4 11 B8R1.7 O=[N+]([O-])C1=NC=CN1 T6402 [1,1,0,0,0,0|2,0,0]=4 12 B8R1.18 CC1=CC(=O)C(C)O1 T22309 [1,1,0,0,0,0|2,0,0]=4 13 B8R1.18 CN1CC(=O)NC1=O T5236 [1,1,0,0,0,0|1,0,1]=4 14 B10R1.113 CN1CCC=C(C(=O)O)C1 T5799 [0,1,0,0,0,1|0,0,2]=4 15 B10R1.113 CN1CCC=C(C(=O)O)C1 TN1398 [0,1,0,0,0,1|0,0,2]=4 16 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,1,0,0,0,1|0,0,1]=3 17 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,1,0,0,0,1|0,0,1]=3 18 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,1,0,0,0,1|0,0,1]=3 19 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [0,1,0,0,0,1|1,0,0]=3 20 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,0,1|1,0,1]=4 21 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,0,1|2,0,0]=4 22 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [0,1,0,0,0,1|1,0,1]=4 23 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,1,0,0,0,1|2,0,0]=4 24 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,1,0,0,0,1|2,0,0]=4 25 B10R1.4 C[N+]1=C(\C=N\O)C=CC=C1 T22404 [0,1,0,0,0,1|0,0,2]=4 26 B10R1.4 C[n+]1ccccc1\C=N\O T1111 [0,1,0,0,0,1|0,0,2]=4 27 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,1,0,0,0,1|1,0,0]=3 29 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.61 O=C(O)c1ccccc1O T0649 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.61 O=C(O)c1ncccc1O T5986 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.194 Cc1ncc([N+](=O)[O-])n1C T0874 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,0,1,1,0,0|1,0,1]=4 37 B8R1.5 ON1C=CC=CC1=S T12593 [0,0,1,1,0,0|1,1,0]=4