0 B6R0.6 CC\C=C/CCO T22295 [1,0,0,0,0,0|0,0,3]=4 1 B8R1.2 NCc1cccnc1 T1581 [0,0,0,1,0,0|3,0,0]=4 2 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [0,0,0,1,0,0|0,0,2]=3 3 B8R1.2 OCC1=CC=CC=C1 T0732 [0,0,0,1,0,0|2,0,0]=3 4 B8R1.2 OCc1ccccn1 T1112 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.2 OCc1cccnc1 T1299 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.5 O=c1ccocc1O TL0015 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.5 ON1C=CC=CC1=S T12593 [0,0,0,1,0,0|2,1,0]=4 8 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,1,0,0,0,0|0,0,0]=2 9 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,1,0,0,0,0|0,0,0]=2 10 B9R0.2 CCCCC\C=C\C(=O)O T5261 [0,2,0,0,0,0|0,0,2]=4 11 B9R0.55 O=C(O)\C=C/C=C/C(=O)O T5588 [0,2,0,0,0,0|1,0,1]=4 12 B9R0.55 O=C(O)\C=C\C=C\C(=O)O T7154 [0,2,0,0,0,0|1,0,1]=4 13 B7R1.3 CC1=NC=CC=C1 T21323 [1,0,0,1,0,0|1,0,0]=3 14 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,1,0,0|2,0,0]=4 15 B9R1.2 O=Cc1cccc(O)c1 T4778 [0,1,0,1,0,0|0,0,2]=4 16 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,1,0,0|1,0,1]=4 17 B9R1.8 NCCC1=NC=CC=C1 T22501 [0,1,0,1,0,0|1,0,0]=3 18 B9R1.8 NCCc1ccccc1 T2935 [0,1,0,1,0,0|1,0,0]=3 19 B9R1.8 NCCc1ccccc1 T7433 [0,1,0,1,0,0|1,0,0]=3 20 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [0,1,0,1,0,0|0,0,2]=4 21 B9R1.8 OCCC1=CC=CC=C1 T0011 [0,1,0,1,0,0|1,0,0]=3 22 B9R1.8 OCCc1ccccn1 T0658 [0,1,0,1,0,0|1,0,0]=3 23 B9R1.15 COc1ccccc1O T1301 [0,1,0,1,0,0|0,0,2]=4 24 B9R1.15 COc1ccccc1O T3267 [0,1,0,1,0,0|0,0,2]=4 25 B9R1.15 OCc1ccccc1O T0311 [0,1,0,1,0,0|0,0,2]=4 26 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [0,1,0,1,0,0|1,0,1]=4 27 B9R1.27 CCN1C(=O)C=CC1=O T3088 [0,1,0,1,0,0|1,0,0]=3 28 B9R1.5 O=C1C=CC=CC=C1O T8087 [0,1,0,1,0,0|0,0,2]=4 29 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,1,0,0|1,0,0]=3 30 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,1,0,0|2,0,0]=4 31 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,1,0,1,0,0|0,0,2]=4 33 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.3 Cc1cccc(O)c1O T3742 [0,1,0,1,0,0|0,0,2]=4 35 B9R1.11 COC(=O)c1ccco1 T8022 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.21 O=Cc1ccc(CO)o1 T2943 [0,1,0,1,0,0|1,0,0]=3 37 B9R1.6 CC(=O)c1ccccc1 T7446 [0,1,0,1,0,0|0,0,2]=4 38 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,1,0,1,0,0|1,0,0]=3 39 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,1,0,1,0,0|0,0,2]=4 40 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,1,0,1,0,0|1,0,1]=4 41 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,1,0,1,0,0|1,0,1]=4 42 B9R1.6 O=C(O)C1=CCNCC1 T11684 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.6 O=C(O)c1ccccc1 T0833 [0,1,0,1,0,0|0,0,2]=4 44 B9R1.6 O=C(O)c1ccccn1 T4850 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.6 O=C(O)c1cccnc1 T0879 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,1,0,1,0,0|0,0,2]=4 47 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,1,0,1,0,0|1,0,1]=4