0 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 1832AB [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 2922AC [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [1,0,0,0,0,0|1,0,1]=3 3 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [1,0,0,0,0,0|0,0,0]=1 5 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [1,0,0,0,0,0|1,0,2]=4 6 B11R1.16 N#CCC(O)C1=CC=CC=C1 5339AH [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [1,0,0,0,0,0|2,0,0]=3 8 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 V6832 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [1,0,0,0,0,0|2,0,0]=3 12 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [1,0,0,0,0,0|2,0,0]=3 13 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [1,0,0,0,0,0|0,0,0]=1 14 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [1,0,0,0,0,0|1,0,0]=2 15 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 5584AL [1,0,0,0,0,0|1,0,2]=4 17 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [1,0,0,0,0,0|2,0,0]=3 18 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [1,0,0,0,0,0|2,0,1]=4 19 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [1,0,0,0,0,0|1,0,1]=3 20 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [1,0,0,0,0,0|2,0,1]=4 21 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [1,0,0,0,0,0|3,0,0]=4 22 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [1,0,0,0,0,0|1,0,1]=3 23 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [1,0,0,0,0,0|1,0,0]=2 24 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 0244AC [0,1,0,0,0,0|1,0,2]=4 25 B13R2.3085 NC1C(=O)N(C)C2=CC=CC=C21 9963AL [0,0,0,1,0,0|2,0,1]=4 26 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 5254AE [0,0,0,1,0,0|1,0,2]=4 27 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 W4488 [0,0,0,0,0,1|2,0,1]=4 28 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 W5014 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [2,0,0,0,0,0|1,0,1]=4 30 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [2,0,0,0,0,0|2,0,0]=4 33 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [2,0,0,0,0,0|2,0,0]=4 34 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [2,0,0,0,0,0|2,0,0]=4 36 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [2,0,0,0,0,0|0,0,0]=2 37 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [2,0,0,0,0,0|2,0,0]=4 39 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [2,0,0,0,0,0|2,0,0]=4 40 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [2,0,0,0,0,0|2,0,0]=4 41 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [2,0,0,0,0,0|1,0,0]=3 43 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.17 CCOCC1=CC=CC=C1 S562 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 CNCCC1=CC=NC=C1 5553AE [2,0,0,0,0,0|1,0,0]=3 48 B10R1.17 COCSC1=CC=CC=C1 8208AL [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 NNCCC1=CC=CC=C1 4752AE [2,0,0,0,0,0|1,0,0]=3 50 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [2,0,0,0,0,0|1,0,0]=3 51 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 X9684 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.30 CCCCC(O)C1=CC=CC=C1 8631AB [1,1,0,0,0,0|1,0,0]=3 55 B12R1.30 CCCNC(C)C1=CC=CC=C1 4612AD [1,1,0,0,0,0|2,0,0]=4 56 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 5781AL [1,1,0,0,0,0|1,0,1]=4 57 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 W5641 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.225 C[C@H](C1=CC(O)=CC=C1)N(C)C 3159AC [1,1,0,0,0,0|2,0,0]=4 59 B12R1.225 C[C@H](N)[C@H](O)C1=CC=CC(O)=C1 E767 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 W7376 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 0867AE [1,1,0,0,0,0|2,0,0]=4 62 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [1,1,0,0,0,0|2,0,0]=4 63 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [1,1,0,0,0,0|2,0,0]=4 64 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 6370AD [1,1,0,0,0,0|1,0,1]=4 65 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 3046AC [1,1,0,0,0,0|0,0,0]=2 66 B12R1.118 N#CC(CO)CC1=CC=CC=C1 5460AJ [1,1,0,0,0,0|2,0,0]=4 67 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 5701AL [1,1,0,0,0,0|1,0,0]=3 68 B12R1.371 CNC(C)CC1=NC=CC=C1C 3717AF [1,1,0,0,0,0|1,0,0]=3 69 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [1,0,0,1,0,0|2,0,0]=4 70 B12R2.116 NC1(C2=CC=CC=C2)CCC1 Z3969 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 B573 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 V1329 [1,0,0,1,0,0|1,0,0]=3 73 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 5276AB [1,0,0,1,0,0|2,0,0]=4 74 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.18 CC1CC2=C(C=CC=C2)C1=O 9059AA [1,0,0,1,0,0|0,0,2]=4 76 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [1,0,0,1,0,0|1,0,0]=3 77 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [1,0,0,1,0,0|2,0,0]=4 78 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 9149AE [1,0,0,1,0,0|2,0,0]=4 79 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O 4008AL [1,0,0,1,0,0|2,0,0]=4 80 B12R2.18 OC1C2=C(C=CC=C2)CC1Br 7739AB [1,0,0,1,0,0|1,0,0]=3 81 B12R2.18 OC1CC2=C(C=CC=C2)C1O 4451AL [1,0,0,1,0,0|1,0,0]=3 82 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 2222AC [0,1,0,1,0,0|0,0,1]=3