0 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 Q65636 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 P36350 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 P37360 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Q58283 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 P42031 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [1,0,0,0,0,0|2,0,1]=4 12 B14R1.425 CC(N)C(=O)N(C)CC1=CC=NC=C1 Q58303 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.425 CC(N)C(=O)N(C)CC1=CC=NC=C1 Q58304 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.425 CN(C)C(=O)[C@H](N)CC1=CC=CC=C1 P40268 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.679 CN(C)C(=O)CCC1=CC=C(N)C=C1 P43023 [0,1,0,0,0,0|2,0,0]=3 16 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 P37145 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.31 NC1CCC1OCC2=CC=CC=C2 P46877 [0,0,0,1,0,0|2,0,1]=4 18 B14R2.31 N[C@@H]1CC[C@@H]1OCC2=CC=CC=C2 P45214 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.31 N[C@@H]1CC[C@@H]1OCC2=CC=CC=C2 P46396 [0,0,0,1,0,0|2,0,1]=4 20 B14R2.31 N[C@@H]1CC[C@H]1OCC2=CC=CC=C2 P46989 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.31 N[C@@H]1CC[C@H]1OCC2=CC=CC=C2 P46996 [0,0,0,1,0,0|2,0,1]=4 22 B14R2.31 OC1CCC1OCC2=CC=CC=C2 P46884 [0,0,0,1,0,0|2,0,1]=4 23 B14R2.31 O[C@@H]1CC[C@@H]1OCC2=CC=CC=C2 F-4646 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.31 O[C@@H]1CC[C@H]1OCC2=CC=CC=C2 P48646 [0,0,0,1,0,0|2,0,1]=4 25 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 Q58395 [0,0,0,0,1,0|1,0,0]=2 26 B14R1.818 CC(N)CC(=O)OCC1=CC=CC=C1 P41306 [0,0,0,0,0,1|1,0,0]=2 27 B14R1.6449 CN(C)C(=O)CNCC1=CC=CC=N1 Q58219 [0,0,0,0,0,1|3,0,0]=4 28 B14R1.6449 CN(C)C(=O)CNCC1=CC=CN=C1 Q58220 [0,0,0,0,0,1|3,0,0]=4 29 B14R1.6449 CN(C)C(=O)CNCC1=CC=NC=C1 Q58221 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [2,0,0,0,0,0|1,0,1]=4 34 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 P41685 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 K10831 [1,1,0,0,0,0|0,0,2]=4 46 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 P42873 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.42 NCCC(=O)NCC1=CC=CC=N1 Q58249 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 P50928 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.528 COC(=O)CCC1=CC=CC=C1Br P36769 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.528 COC(=O)CCC1=CC=CC=C1F P41253 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M23005 [1,1,0,0,0,0|0,0,1]=3 55 B13R1.718 NC(CO)COCC1=CC=CC=C1 P42920 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 P37225 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 P37226 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 P45466 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 P47292 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.133 CN(C)C(=O)CC1=CC=C(Br)C=C1 P40084 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 O30261 [0,1,0,0,1,0|1,0,0]=3 62 B15R1.741 CC(CN)NC(=O)OCC1=CC=CC=C1 P42445 [0,1,0,0,0,1|0,0,0]=2 63 B15R1.741 CCC(=O)CC(=O)OCC1=CC=CC=C1 P37888 [0,1,0,0,0,1|1,0,1]=4 64 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 P38293 [0,1,0,0,0,1|0,0,0]=2 65 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 P38655 [0,1,0,0,0,1|0,0,0]=2 66 B15R1.741 O=C(CCl)CC(=O)OCC1=CC=CC=C1 P38798 [0,1,0,0,0,1|1,0,1]=4 67 B15R1.870 CC(C)NC(=O)CCC1=CC=C(N)C=C1 P43016 [0,1,0,0,0,1|1,0,0]=3 68 B15R1.3465 CC(C)(C)OC(=O)CNC1=CC=CC=C1 M23295 [0,1,0,0,0,1|2,0,0]=4 69 B15R1.826 CN(CCN)C(=O)OCC1=CC=CC=C1 Q66054 [0,2,0,0,0,0|1,0,0]=3 70 B15R1.826 CN(CCO)C(=O)OCC1=CC=CC=C1 P36677 [0,2,0,0,0,0|1,0,0]=3 71 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [1,0,0,1,0,0|1,0,0]=3 72 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.33 O=C1CCC2=CC=CC=C2CC1 Q70223 [1,0,0,1,0,0|1,0,0]=3 74 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 P35216 [1,0,0,1,0,0|1,0,1]=4 75 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 10617 [0,0,0,1,1,0|1,0,0]=3 76 B13R2.359 CC1(C)C(=O)NC2=NC=CC=C21 Q55148 [0,0,0,1,1,0|2,0,0]=4 77 B13R2.369 CC1NC2=CC=CC=C2NC1=O C-2873 [0,0,0,1,1,0|2,0,0]=4 78 B13R2.435 CC(C)C1=CC2=C(C=CC=C2)N1 O31982 [0,0,0,1,1,0|1,0,1]=4 79 B13R2.444 OC(CC1=CC=CC=C1)C2CC2 O29708 [0,0,0,1,1,0|0,0,2]=4 80 B15R2.325 C[C@H]1CC(SC2=CC=CC=C2)C(=O)O1 M23896 [0,0,0,1,0,1|2,0,0]=4 81 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 O34433 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 P51350 [0,0,0,1,0,1|2,0,0]=4 83 B15R2.4244 CN(C)C(=O)C1CC2=C(C=CC=C2)N1 M22914 [0,1,0,1,0,0|2,0,0]=4 84 B15R2.24490 O=C(OCC1=CC=CC=C1)C2CNC2 P45647 [0,1,0,1,0,0|0,0,0]=2 85 B15R2.24490 O=C(OCC1=CC=CC=C1)C2CNC2 P48143 [0,1,0,1,0,0|0,0,0]=2 86 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [1,0,0,0,1,0|1,0,1]=4 87 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [1,0,0,0,1,0|2,0,0]=4 88 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [1,0,0,0,1,0|2,0,0]=4 89 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [1,0,0,0,1,0|1,0,0]=3 90 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [1,0,0,0,1,0|2,0,0]=4 91 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [1,0,0,0,1,0|2,0,0]=4 92 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 L20820 [0,0,0,0,2,0|1,0,0]=3 93 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,0,0,0,2,0|1,0,1]=4 94 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,0,0,0,2,0|1,0,1]=4 95 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 P51224 [0,0,0,0,2,0|2,0,0]=4 96 B13R1.337 CC(C)CCNCC1=CC=CC=C1 P38042 [1,0,0,0,0,1|1,0,1]=4