0 B6R1.2 C[C-]1C=CC=C1 T20558 [1,0,0,0,0,0|1,0,1]=3 1 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,0,0|3,0,0]=4 2 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,0,0|2,1,0]=4 3 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,1,0,0,0,0|0,0,2]=3 4 B8R1.1 NCC1=CC(=O)NO1 T20657 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.7 O=C(O)c1ccco1 T5544 [0,1,0,0,0,0|0,0,1]=2 6 B8R1.7 O=C(O)c1ccoc1 T5277 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.8 NCCC1=CNC=N1 T6535 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.6 CC\C=C/CCO T22295 [0,0,1,0,0,0|1,0,2]=4 9 B8R1.2 N#Cc1ncccn1 T7451 [0,0,0,0,0,1|2,0,1]=4 10 B8R1.2 NCc1cccnc1 T1581 [0,0,0,0,0,1|2,0,0]=3 11 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,0,0,0,0,1|1,0,2]=4 12 B8R1.2 OCC1=CC=CC=C1 T0732 [0,0,0,0,0,1|1,0,0]=2 13 B8R1.2 OCc1ccccn1 T1112 [0,0,0,0,0,1|1,0,0]=2 14 B8R1.2 OCc1cccnc1 T1299 [0,0,0,0,0,1|1,0,0]=2 15 B5R0.1 C\C=C\C(=O)O T5301 [1,0,1,0,0,0|0,0,2]=4 16 B5R0.3 O=CC(O)CO T4918 [1,0,1,0,0,0|1,0,1]=4 17 B5R1.1 C1=CON=C1 T7500 [2,0,0,0,0,0|1,0,0]=3 18 B5R1.1 C1=C[CH-]C=C1 T20786 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.4 C\C=C\C=C\C(=O)O T8019 [0,1,1,0,0,0|1,0,1]=4 20 B7R1.2 Cc1cc(N)no1 T0644 [1,1,0,0,0,0|1,0,0]=3 21 B7R1.2 Cn1ccc(N)n1 T3295 [1,1,0,0,0,0|2,0,0]=4 22 B7R1.2 O=C1C=CC(=O)N1 T4820 [1,1,0,0,0,0|1,0,1]=4 23 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,1|2,0,0]=4 24 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,0,0,1|1,0,0]=3 25 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,1|2,0,0]=4 26 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,1|1,0,0]=3 27 B9R1.2 [O-][n+]1cccc(CO)c1 T0257 [0,1,0,0,0,1|1,0,0]=3 28 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,0,0,1|1,0,0]=3 29 B9R1.6 O=C(O)c1ccccc1 T0833 [0,1,0,0,0,1|1,0,1]=4 30 B9R1.6 O=C(O)c1ccccn1 T4850 [0,1,0,0,0,1|1,0,1]=4 31 B9R1.6 O=C(O)c1cccnc1 T0879 [0,1,0,0,0,1|1,0,1]=4 32 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,1,0,0,0,1|1,0,1]=4 33 B9R1.6 O=C(O)c1cnccn1 T0569 [0,1,0,0,0,1|1,0,1]=4 34 B9R1.8 NCCC1=NC=CC=C1 T22501 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.8 NCCc1ccccc1 T7433 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,1,0,0,0,1|1,0,1]=4 38 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,1,0,0,0,1|1,0,0]=3 39 B9R1.8 OCCc1ccccn1 T0658 [0,1,0,0,0,1|1,0,0]=3 40 B9R1.15 OCc1ccccc1O T0311 [0,1,0,0,0,1|1,0,0]=3 41 B9R1.21 O=Cc1ccc(CO)o1 T2943 [0,2,0,0,0,0|0,0,0]=2 42 B9R1.11 COC(=O)c1ccco1 T8022 [0,2,0,0,0,0|0,0,1]=3