0 B8R1.2 NCC1=CN=CC=C1 BBB/544 [1,0,0,0,0,0|2,0,1]=4 1 B10R1.13 CC(N)C1=CC=C(O)C=C1 BBB/900 [0,1,0,0,0,0|1,0,1]=3 2 B10R1.15 CCC(N)C1=CC=CC=C1 BBB/913 [0,1,0,0,0,0|1,0,1]=3 3 B10R1.113 CC(N)C1=CC=CC(O)=C1 BBB/965 [0,1,0,0,0,0|1,0,1]=3 4 B10R1.113 CC1=CC=CC(C(C)C)=C1 BBC/244 [0,1,0,0,0,0|1,0,1]=3 5 B10R1.113 CC1=NC(C(=O)O)=CC=C1 BBC/336 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBC/569 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 OC1=CC=NC=C1 BBC/169 [2,0,0,0,0,0|1,0,1]=4 8 B9R1.1 CNC1=CC=C(Br)C=N1 BBC/113 [1,1,0,0,0,0|2,0,0]=4 9 B9R1.1 OCC1=CC=C(O)C=C1 BBC/380 [1,1,0,0,0,0|0,0,2]=4 10 B9R1.8 CNCC1=CC=CC=C1 BBC/108 [1,1,0,0,0,0|0,0,1]=3 11 B9R1.35 O=C(O)C1=CC=C(Br)O1 BBB/212 [0,1,0,0,1,0|2,0,0]=4 12 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBB/094 [0,1,0,0,0,1|1,0,1]=4 13 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBB/545 [0,1,0,0,0,1|1,0,0]=3 14 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BBB/492 [0,1,0,0,0,1|0,0,0]=2 15 B11R1.40 O=C(CS)NC1=CC=CC=C1 BBC/447 [0,1,0,0,0,1|0,0,0]=2 16 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 BBB/377 [0,1,0,0,0,1|0,0,0]=2 17 B11R1.86 CC(C)OC1=CC=CC=C1N BBB/509 [0,1,0,0,0,1|1,0,1]=4 18 B11R1.86 CN(C)CC1=C(O)C=CC=C1 BBB/619 [0,1,0,0,0,1|2,0,0]=4 19 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBB/530 [0,1,0,0,0,1|0,0,0]=2 20 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBB/511 [0,1,0,0,0,1|1,0,1]=4 21 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 BBC/425 [0,2,0,0,0,0|1,0,0]=3 22 B11R1.21 CC(C)C1=CC(Br)=C(O)C=C1 BBB/375 [0,2,0,0,0,0|1,0,1]=4 23 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 BBB/227 [0,2,0,0,0,0|1,0,0]=3 24 B11R1.21 CC1=CC=C(C(=O)O)C=C1Br BBB/219 [0,2,0,0,0,0|1,0,0]=3 25 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br BBB/997 [0,2,0,0,0,0|1,0,0]=3 26 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1Br BBC/362 [0,2,0,0,0,0|2,0,0]=4 27 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1Br BBB/074 [0,2,0,0,0,0|2,0,0]=4 28 B11R1.22 CCC(C)C1=CC=C(N)C=C1 BBB/984 [0,2,0,0,0,0|1,0,1]=4 29 B11R1.22 CCC(N)C1=CC=C(O)C=C1 BBB/943 [0,2,0,0,0,0|1,0,1]=4 30 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BBB/864 [0,2,0,0,0,0|0,0,0]=2 31 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BBC/666 [0,2,0,0,0,0|1,0,0]=3 32 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BBB/547 [0,2,0,0,0,0|1,0,0]=3 33 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BBC/369 [0,2,0,0,0,0|0,0,0]=2 34 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BBC/098 [0,2,0,0,0,0|0,0,0]=2 35 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 BBB/877 [0,2,0,0,0,0|0,0,1]=3 36 B11R1.16 CCCC(N)C1=CC=CC=C1 BBC/858 [0,2,0,0,0,0|1,0,1]=4 37 B11R1.16 CCNC(C)C1=CC=CC=C1 BBB/669 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 BBB/760 [0,2,0,0,0,0|0,0,0]=2 39 B11R1.23 COC(=O)C1=CC(O)=CC=C1 BBB/380 [0,2,0,0,0,0|0,0,0]=2 40 B11R1.23 COC(=O)C1=NC(C)=CC=C1 BBC/715 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.222 CNC(=O)C1=CC=CC=C1N BBB/633 [0,2,0,0,0,0|0,0,0]=2 42 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBB/708 [0,2,0,0,0,0|0,0,1]=3 43 B11R1.222 NNC(=O)C1=CC=CC=C1N BBB/748 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 BBB/980 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.167 CC(C)C1=C(O)C=CC(Br)=C1 BBC/560 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 BBB/906 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 BBC/193 [0,2,0,0,0,0|1,0,0]=3 48 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BBC/401 [0,0,0,1,0,1|1,1,0]=4 49 B11R1.91 NC(=S)NNC1=CC=CC=C1 BBC/164 [0,0,0,0,0,2|1,1,0]=4