0 B14R2.8188 CN1SC2=CC=CC=C2N(C)C1=O SY294330 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.32 CC1CCC2=C(C=CC=C2)N1C SY280205 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O SY254129 [1,0,0,0,0,0|0,0,2]=3 3 B15R2.9032 CC1=[N+]([O-])C2=C(C=CC=C2)N(O)C1=O SY244471 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 SY035299 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 SY106384 [0,0,1,0,0,0|2,0,0]=3 6 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 SY112626 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 SY004788 [0,0,1,0,0,0|2,0,0]=3 8 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 SY033782 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 SY034266 [0,0,1,0,0,0|2,0,0]=3 10 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 SY033769 [0,0,1,0,0,0|3,0,0]=4 11 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 SY048456 [0,0,0,0,1,0|2,0,1]=4 12 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 SY293688 [0,0,0,0,1,0|2,0,1]=4 13 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 SY059152 [0,0,0,0,1,0|1,0,0]=2 14 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 SY045942 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SY115712 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [1,0,1,0,0,0|1,0,0]=3 19 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 SY051128 [1,0,1,0,0,0|1,0,1]=4 20 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SY006039 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [1,0,1,0,0,0|1,0,0]=3 22 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [1,0,1,0,0,0|0,0,0]=2 24 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [1,0,1,0,0,0|0,0,0]=2 25 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [1,0,1,0,0,0|0,0,0]=2 26 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [1,0,1,0,0,0|0,0,0]=2 27 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SY057601 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O SY057718 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [1,0,1,0,0,0|0,0,0]=2 30 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SY033040 [1,0,1,0,0,0|1,0,0]=3 31 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [1,0,1,0,0,0|1,0,0]=3 32 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [1,0,1,0,0,0|1,0,0]=3 34 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [1,0,1,0,0,0|1,0,0]=3 35 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.283 NCCC1=CC=CC=C1C(=O)O SY139425 [1,0,1,0,0,0|1,0,0]=3 39 B12R1.283 NCCC1=CC=CC=C1[N+](=O)[O-] SY163217 [1,0,1,0,0,0|0,0,2]=4 40 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [2,0,0,0,0,0|1,0,1]=4 42 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 O=C1CCC2=CC=NC=C2N1 SY249512 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SY018411 [2,0,0,0,0,0|1,0,0]=3 48 B12R2.24 O=C1CNC2=CC=CC=C2O1 SY292600 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [2,0,0,0,0,0|1,0,0]=3 50 B12R2.24 O=C1COC2=C(C=NC=C2)N1 SY130715 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 O=C1COC2=C(N=CC=C2)N1 SY007983 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 SY033162 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 O=C1NC2=C(C=CN=C2)CO1 SY129221 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 O=C1NC2=C(C=NC=C2)CO1 SY129222 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 O=C1NC2=CC=CC=C2CO1 SY129148 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.24 O=C1NC2=NC=CC=C2CO1 SY129220 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [2,0,0,0,0,0|1,0,1]=4 59 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 SY275019 [0,1,1,0,0,0|2,0,0]=4 60 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 SY066417 [0,1,1,0,0,0|2,0,0]=4 61 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 SY109110 [0,1,1,0,0,0|2,0,0]=4 62 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SY011309 [0,1,1,0,0,0|2,0,0]=4 63 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SY015879 [0,1,1,0,0,0|2,0,0]=4 64 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 SY237222 [0,1,1,0,0,0|2,0,0]=4 65 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 SY057646 [0,1,1,0,0,0|2,0,0]=4 66 B14R1.135 COC(=O)C(N)CC1=CC=CC(Br)=C1 SY131081 [0,1,1,0,0,0|2,0,0]=4 67 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(Br)=C1 SY131080 [0,1,1,0,0,0|2,0,0]=4 68 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(Br)=C1 SY236621 [0,1,1,0,0,0|2,0,0]=4 69 B14R1.425 CN(C)C(=O)[C@@H](N)CC1=CC=CC=C1 SY273280 [0,1,1,0,0,0|1,0,0]=3 70 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC SY249564 [0,1,1,0,0,0|2,0,0]=4 71 B14R1.132 CC(Br)C(=O)N(C)C1=CC=C(F)C=C1 SY090321 [0,1,1,0,0,0|2,0,0]=4 72 B14R1.132 CC(Br)C(=O)N(C)C1=CC=C(I)C=C1 SY129052 [0,1,1,0,0,0|2,0,0]=4 73 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 SY264195 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 SY192499 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.4513 CN1C(=O)CSC2=CC=C(N)C=C21 SY264738 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.29369 CN1C(=O)COC2=CC(Br)=CC=C21 SY129385 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.639 CC1(C)OC2=CC=CC=C2NC1=O SY130765 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.8239 NC1CC2=C(C=C(Cl)C=C2)NC1=O SY031681 [1,1,0,0,0,0|0,0,0]=2 79 B14R2.8239 NN1CC2=C(C=CC(Cl)=C2)NC1=O SY275818 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.8239 NN1CC2=C(C=CC(F)=C2)NC1=O SY275976 [1,1,0,0,0,0|1,0,0]=3 81 B14R2.958 COC(=O)C1NC1C2=CC=CC=C2 SY037179 [0,0,1,1,0,0|2,0,0]=4 82 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [1,0,0,0,1,0|1,0,0]=3 83 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [1,0,0,0,1,0|1,0,1]=4 85 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 SY031217 [0,0,1,0,0,1|2,0,0]=4