0 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 03127 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 16613 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 05997 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 16541 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 16597 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.16 COC[C@H](N)C1=CC=CC=C1 16561 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 N#CCC(O)C1=CC=CC=C1 18031 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 NCCC(O)C1=CC=CC=C1 18858 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 17905 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 32066 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 11689 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 16622 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 11670 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27521 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 27766 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 12130 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24590 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.40 CC(CN)OC1=CC=CC=C1 23800 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 COC(=O)CC1=CC=CC=C1 27176 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.40 NCC(O)CC1=CC=CC=C1 23757 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 03209 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 03208 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 09428 [0,0,0,0,0,1|2,0,1]=4 23 B10R1.15 BrCC(Br)C1=CC=CC=C1 26738 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [2,0,0,0,0,0|0,0,2]=4 25 B10R1.15 CNC(C)C1=CC=CC=C1 28338 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.15 NCC(O)C1=CC=CC=C1 22012 [2,0,0,0,0,0|0,0,0]=2 27 B10R1.15 NCC(O)C1=CC=CN=C1 17144 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.15 NCC(O)C1=CC=CN=C1 23828 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.15 NCC(O)C1=NC=CC=C1 23837 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 05373 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.15 N[C@H](CO)C1=CC=CC=C1 05372 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.15 OC[C@H](O)C1=CC=CC=C1 24591 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 CCCCC1=CC=CC=C1 27221 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 CNCCC1=CC=CC=C1 23237 [2,0,0,0,0,0|0,0,0]=2 37 B10R1.17 CNCCC1=CC=CN=C1 23587 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 CNCCC1=CC=NC=C1 17201 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.17 CNCCC1=NC=CC=C1 23232 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 CC(N)CC1=CC=CN=C1 17923 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.18 CC(N)CC1=CC=NC=C1 17924 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.18 CC(N)CC1=CN=CC=N1 17922 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.18 CC(N)CC1=NC=CC=C1 17610 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32525 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 32526 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 32506 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32504 [1,1,0,0,0,0|0,0,0]=2 48 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 32505 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 23435 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 23394 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 24165 [1,1,0,0,0,0|1,0,1]=4 52 B12R2.2 C1=CC(C2CCNC2)=CN=C1 17380 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.2 C1=CC=C(C2CCCN2)C=C1 23494 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.2 C1=CC=C(C2CCNC2)C=C1 23419 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.2 C1=CN=C(C2CCNC2)C=C1 17254 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.1081 OC1CCCC2=CC=CC=C21 26786 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.24 NC1CCC2=C(C=CC=C2)C1 18439 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 18446 [1,0,0,1,0,0|1,0,1]=4