0 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 C02765 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 C01575 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.34 C\N=C(/C)[C@H](O)C1=CC=CC=C1 C04351 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.16 CNCC(O)C1=CC=CC=C1 C03711 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 C02343 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 C08301 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 C08300 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C07911 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C16719 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 C01984 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 C01983 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [1,0,0,0,0,0|0,0,0]=1 13 B13R1.152 CC(C(O)C1=CC=CC=C1)N(C)C C13639 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.152 C[C@@H]([C@@H](O)C1=CC=CC=C1)N(C)C C17903 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 C03290 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.32 OC1C=CC2=CC=CC=C2C1O C06205 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.32 O[C@H]1C=CC2=C(C=CC=C2)[C@@H]1O C04514 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.32 O[C@H]1C=CC2=C(C=CC=C2)[C@H]1O C04314 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [2,0,0,0,0,0|0,0,2]=4 22 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.17 CCCCC1=CC=CC=C1 C18150 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 COCCC1=NC=CC=C1 C18396 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 NNCCC1=CC=CC=C1 C07430 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 NNCCC1=CC=CC=C1 C07431 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [2,0,0,0,0,0|0,0,0]=2 29 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [2,0,0,0,0,0|0,0,0]=2 30 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 C04548 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 C01869 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 C07441 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.30 OCCCC(O)C1=CN=CC=C1 C19582 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 C07146 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.32 CCNC(=O)CC1=CC=CC=C1 C11487 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 C07889 [1,1,0,0,0,0|0,0,0]=2 38 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [1,0,0,1,0,0|1,0,1]=4 40 B14R2.24 CC1NCCOC1C2=CC=CC=C2 C07432 [0,1,0,1,0,0|0,0,0]=2