0 B12R1.16 BrCCC(Br)C1=CC=C(Br)C=C1 8745AB [1,0,0,0,0,0|3,0,0]=4 1 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 1218AL [1,0,0,0,0,0|2,0,0]=3 2 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 5889AD [1,0,0,0,0,0|2,0,0]=3 3 B12R1.16 CN(CCO)C1=CN=C(N)C=C1 1759AF [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 ClC(CCBr)C1=CC=C(Br)C=C1 4041AB [1,0,0,0,0,0|3,0,0]=4 5 B12R1.16 ClC1=CC=C(C(Br)CCBr)C=C1 V4103 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 5784AJ [1,0,0,0,0,0|2,0,0]=3 7 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 2347AL [1,0,0,0,0,0|1,0,0]=2 8 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 1318AL [1,0,0,0,0,0|1,0,0]=2 9 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 1295AL [1,0,0,0,0,0|2,0,0]=3 10 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 4351AH [1,0,0,0,0,0|2,0,0]=3 11 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 5738AJ [1,0,0,0,0,0|1,0,2]=4 12 B12R1.20 CC(C)[C@@H](N)C1=CC=C(F)C=C1 3800AA [1,0,0,0,0,0|3,0,0]=4 13 B12R1.20 CC(N)C(O)C1=CC=C(O)C=C1 V1268 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.34 CC(C1=CC=CC=C1)C(N)CO HTS033199 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [1,0,0,0,0,0|1,0,0]=2 17 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [2,0,0,0,0,0|2,0,0]=4 18 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [2,0,0,0,0,0|2,0,0]=4 20 B11R1.1 CNCCC1=CC=C(N)C=C1 X8249 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.1 NC1=CC=C(CCCO)C=C1 7207AA [2,0,0,0,0,0|0,0,0]=2 24 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [2,0,0,0,0,0|2,0,0]=4 25 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [2,0,0,0,0,0|2,0,0]=4 26 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [2,0,0,0,0,0|1,0,0]=3 27 B11R1.1 OCCCC1=CC=C(Br)N=C1 0074AC [2,0,0,0,0,0|2,0,0]=4 28 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [2,0,0,0,0,0|2,0,0]=4 30 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.16 NCC[C@@H](O)C1=CC=CC=C1 8991AH [2,0,0,0,0,0|1,0,0]=3 32 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 9158AH [2,0,0,0,0,0|1,0,0]=3 33 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [2,0,0,0,0,0|1,0,0]=3 34 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [2,0,0,0,0,0|1,0,0]=3 35 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [2,0,0,0,0,0|2,0,0]=4 36 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [2,0,0,0,0,0|2,0,0]=4 37 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [2,0,0,0,0,0|2,0,0]=4 38 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [2,0,0,0,0,0|2,0,0]=4 39 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [2,0,0,0,0,0|2,0,0]=4 40 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1817AC [2,0,0,0,0,0|1,0,0]=3 43 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 X4763 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 3000AE [2,0,0,0,0,0|1,0,0]=3 45 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [2,0,0,0,0,0|1,0,0]=3 46 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [2,0,0,0,0,0|1,0,0]=3 47 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [2,0,0,0,0,0|1,0,0]=3 48 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6771 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [2,0,0,0,0,0|2,0,0]=4 50 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [2,0,0,0,0,0|1,0,0]=3 51 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [2,0,0,0,0,0|1,0,1]=4 52 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [2,0,0,0,0,0|2,0,0]=4 53 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [2,0,0,0,0,0|2,0,0]=4 54 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [2,0,0,0,0,0|2,0,0]=4 57 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [2,0,0,0,0,0|1,0,1]=4 59 B13R1.29 NC1=CC=C(S(=O)(=O)CCO)C=C1 T959 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 0512AC [1,1,0,0,0,0|2,0,0]=4 61 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 1210AL [1,1,0,0,0,0|2,0,0]=4 62 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 4910AD [1,1,0,0,0,0|2,0,0]=4 63 B13R1.19 COCC(C)OC1=CC=C(N)C=C1 7881AE [1,1,0,0,0,0|2,0,0]=4 64 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 7300AA [1,1,0,0,0,0|1,0,1]=4 65 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(O)=C(O)C=C1 4050AL [0,2,0,0,0,0|1,0,1]=4 66 B15R1.4029 COC1=C(O)C=CC([C@@H](O)[C@@H](O)CO)=C1 W2124 [0,2,0,0,0,0|2,0,0]=4 67 B15R1.4029 COC1=C(O)C=CC([C@@H](O)[C@H](O)CO)=C1 W2120 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 5654AJ [1,0,0,1,0,0|2,0,0]=4 69 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 5257AA [1,0,0,1,0,0|2,0,0]=4 70 B13R2.5179 N[C@H]1CCOC2=CC(F)=CC=C21 0514AA [1,0,0,1,0,0|2,0,0]=4 71 B13R2.32 NC1CCC2=CC=CC=C2C1O 0733AA [1,0,0,1,0,0|1,0,0]=3 72 B13R2.43 NC1=CC2=C(C=C1)N=C(CO)N2 3001AB [1,0,0,1,0,0|1,0,1]=4 73 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 5947AH [1,0,0,1,0,0|2,0,0]=4 74 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 3493AJ [1,0,0,1,0,0|2,0,0]=4 75 B13R1.14 OCC(O)COC1=CC=C(Br)C=C1 AMTH289 [1,0,0,0,0,1|2,0,0]=4