0 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 P38987 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 P38986 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.348 CN(C)C[C@H](N)CC1=CC=CC=C1 P35578 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.32 CCOC(=O)CC1=CC=CN=N1 L13319 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.32 CCOC(=O)CC1=NC=CC=N1 I-9587 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 P40561 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 P40169 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.337 CC(C)NC(=O)OC1=C(F)C=CC=C1 N26830 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 Q67232 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.433 CC(C)(C)OC(=O)NC1=CN=NC=C1 C-3724 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 P38397 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.642 CC(C)C1C(=O)NC2=C1C=CC=C2 P51026 [0,0,0,1,0,0|2,0,0]=3 17 B14R2.642 CC(C)N1C(=O)CC2=C1N=CC=C2 Q54331 [0,0,0,1,0,0|2,0,0]=3 18 B14R2.4893 CC1(C)CN(CC2=CC=CC=C2)C1 P48679 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 Q58395 [0,0,0,0,1,0|1,0,0]=2 20 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 P35917 [0,0,0,0,1,0|2,0,0]=3 21 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [0,0,0,0,1,0|2,0,1]=4 22 B14R1.818 CC(N)CC(=O)OCC1=CC=CC=C1 P41306 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.40 COC(=O)CC1=CC=NN=C1 G-6745 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.40 COC(=O)CC1=NC=NC=C1 P44252 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.40 COC(=O)CC1=NN=CC=C1 G-6749 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [2,0,0,0,0,0|2,0,0]=4 33 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=C1 P40083 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.19 CCOC(=O)CC1=CC=C(I)C=N1 I-9966 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 L13387 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.19 CCOC(=O)CC1=CN=C(C)C=C1 Q52531 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 I-9491 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 G-5597 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.19 CCOC(=O)CC1=NC=C(Cl)C=C1 Q56695 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 I-9984 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 G-5596 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.19 CCOC(=O)CC1=NC=C(O)C=N1 Q65341 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 Q51918 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.20 CCOC(=O)CC1=CC(Br)=NC=C1 Q69757 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.20 CCOC(=O)CC1=CC(C)=NC=N1 Q56407 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 C-3501 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 P41367 [1,1,0,0,0,0|0,0,0]=2 48 B13R1.20 CCOC(=O)CC1=CC=CC(I)=C1 M22876 [1,1,0,0,0,0|0,0,0]=2 49 B13R1.20 CCOC(=O)CC1=CC=CC(N)=C1 P37644 [1,1,0,0,0,0|0,0,0]=2 50 B13R1.20 CCOC(=O)CC1=CC=NC(N)=N1 Q54704 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 M15586 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 I-9426 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 Q69915 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.470 CCOC(=O)CC1=CC=CC=C1Br P39681 [1,1,0,0,0,0|0,0,0]=2 55 B13R1.470 CCOC(=O)CC1=CC=CC=C1I M23086 [1,1,0,0,0,0|0,0,0]=2 56 B13R1.470 CCOC(=O)CC1=CC=CC=C1N O30479 [1,1,0,0,0,0|0,0,0]=2 57 B13R1.470 CCOC(=O)CC1=CC=CN=C1C Q55624 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl C-2847 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.470 CCOC(=O)CC1=NC=CC=C1Br L13706 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.470 CCOC(=O)CC1=NC=CC=C1O Q52073 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.470 CCOC(=O)CN1N=CC=CC1=O L20732 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M23005 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.133 CN(C)C(=O)CC1=CC=C(Br)C=C1 P40084 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 O30261 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.147 CC(C)NC(=O)C1=CC(Br)=CN=C1 N24503 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.201 CC(C)OC(=O)C1=CC=CNC1=O Q55179 [0,1,0,0,1,0|1,0,0]=3 67 B13R1.1116 CC(C)(C)OC(=O)NC1=CC=CS1 Q65586 [0,1,0,0,1,0|2,0,0]=4 68 B13R1.1116 CC(C)(C)OC(=O)NC1=COC=C1 O34473 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.1116 CC(C)(C)OC(=O)NN1C=CC=C1 L22496 [0,1,0,0,1,0|2,0,0]=4 70 B15R1.741 CC(CN)NC(=O)OCC1=CC=CC=C1 P42445 [0,1,0,0,0,1|1,0,0]=3 71 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 P38293 [0,1,0,0,0,1|1,0,0]=3 72 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 P38655 [0,1,0,0,0,1|1,0,0]=3 73 B15R1.870 CC(C)NC(=O)CCC1=CC=C(N)C=C1 P43016 [0,1,0,0,0,1|1,0,0]=3 74 B15R1.3465 CC(C)(C)OC(=O)CNC1=CC=CC=C1 M23295 [0,1,0,0,0,1|0,0,0]=2 75 B15R1.3465 CC(C)(C)OC(=O)CNC1=NC=CC=C1 O30266 [0,1,0,0,0,1|1,0,0]=3 76 B15R1.3465 CC(C)(C)OC(=O)NCC1=NC=CC=N1 G-6583 [0,1,0,0,0,1|2,0,0]=4 77 B15R1.5802 CC(C)(C)NC(=O)CC1=CC=CN=C1Cl L14775 [0,2,0,0,0,0|2,0,0]=4 78 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CC=C1Br P36048 [0,2,0,0,0,0|1,0,0]=3 79 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CC=C1I P40840 [0,2,0,0,0,0|1,0,0]=3 80 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CN=C1Br O34401 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.5802 CC1=C(NC(=O)OC(C)(C)C)C=CN=C1 N25680 [0,2,0,0,0,0|2,0,0]=4 82 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(Br)C=C1 O32534 [0,2,0,0,0,0|0,0,0]=2 83 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(N)C=C1 P40518 [0,2,0,0,0,0|0,0,0]=2 84 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(Br)N=C1 I-9435 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(I)C=C1 P40882 [0,2,0,0,0,0|1,0,0]=3 86 B15R1.913 CC(C)(C)OC(=O)NC1=CN=C(N)C=C1 Q62325 [0,2,0,0,0,0|2,0,0]=4 87 B15R1.913 CC(C)(C)OC(=O)NC1=CNC(=O)C=C1 G-7672 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.913 CC(C)(C)OC(=O)NC1=NC=C(N)C=C1 O31637 [0,2,0,0,0,0|2,0,0]=4 89 B15R1.913 CC1=CC=C(NC(=O)OC(C)(C)C)C=N1 M24078 [0,2,0,0,0,0|2,0,0]=4 90 B15R1.8303 CC(C)(C)OC(=O)CC1=NC(Cl)=CN=C1 O31544 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(Br)=CN=C1 Q68216 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(Cl)=NC=C1 C-3714 [0,2,0,0,0,0|2,0,0]=4 93 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(N)=NC=C1 P51562 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(O)=CC=N1 Q55797 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(O)=NC=C1 G-6221 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.8303 CC(C)(C)OC(=O)NC1=CC=CC(Br)=C1 P39343 [0,2,0,0,0,0|1,0,0]=3 97 B15R1.8303 CC(C)(C)OC(=O)NC1=NC(Br)=CC=C1 O34458 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.8303 CC(C)(C)OC(=O)NC1=NC(Cl)=CC=C1 O34488 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.8303 CC(C)(C)OC(=O)NC1=NC=CC(Br)=C1 O30712 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.8303 CC(C)(C)OC(=O)NC1=NC=CC(Cl)=C1 Q65594 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.8303 CC1=NC=CC(NC(=O)OC(C)(C)C)=C1 Q57211 [0,2,0,0,0,0|2,0,0]=4 102 B15R1.3565 CC(C)N[C@@H](CC1=CC=CC=C1)C(=O)O K13426 [0,2,0,0,0,0|1,0,1]=4 103 B13R2.15 O=C1NCCN1C2=CC=CC=C2 O30219 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.15 O=C1OCCC1C2=CC=NC=C2 M15747 [1,0,0,1,0,0|1,0,0]=3 105 B13R2.15 O=C1OCCC1C2=NC=CC=C2 M15734 [1,0,0,1,0,0|1,0,0]=3 106 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [1,0,0,1,0,0|1,0,0]=3 107 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 P35216 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 10617 [0,0,0,1,1,0|1,0,0]=3 109 B13R2.359 CC1(C)C(=O)NC2=NC=CC=C21 Q55148 [0,0,0,1,1,0|2,0,0]=4 110 B13R2.369 CC1NC2=CC=CC=C2NC1=O C-2873 [0,0,0,1,1,0|2,0,0]=4 111 B13R2.435 CC(C)C1=CC2=C(C=CC=C2)N1 O31982 [0,0,0,1,1,0|1,0,1]=4 112 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 G-7596 [0,0,0,1,1,0|1,0,0]=3 113 B13R2.12159 CC1(C)O[IH2](Cl)C2=CC=CC=C21 O32483 [0,0,0,1,1,0|2,0,0]=4 114 B15R2.325 C[C@H]1CC(SC2=CC=CC=C2)C(=O)O1 M23896 [0,0,0,1,0,1|0,0,0]=2 115 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 O34433 [0,0,0,1,0,1|2,0,0]=4 116 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 P51350 [0,0,0,1,0,1|2,0,0]=4 117 B15R2.994 CC(C)(C)N1C(=O)CC2=C1N=CC=C2 P48081 [0,1,0,1,0,0|2,0,0]=4 118 B15R2.1682 NCC1CN(C2=CC=CC=C2)C(=O)O1 L19274 [0,1,0,1,0,0|1,0,0]=3 119 B15R2.13628 CC(C)N1C(=O)NC2=CC=CC(F)=C21 O31003 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [1,0,0,0,1,0|2,0,0]=4 121 B11R1.16 CCOC(=N)C1=CC=NC=C1 O30241 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.16 CONC(=O)C1=CC=CC=C1 Q65648 [1,0,0,0,1,0|2,0,0]=4 123 B11R1.30 CCOC(=O)CC1=NNC=C1 P51481 [1,0,0,0,1,0|2,0,0]=4 124 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 L20820 [0,0,0,0,2,0|1,0,0]=3 125 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,0,0,0,2,0|1,0,1]=4 126 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,0,0,0,2,0|1,0,1]=4 127 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 P51224 [0,0,0,0,2,0|2,0,0]=4 128 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [1,0,0,0,0,1|1,0,0]=3 129 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 P50928 [1,0,0,0,0,1|2,0,0]=4 130 B13R1.337 CC(C)CCNCC1=CC=CC=C1 P38042 [1,0,0,0,0,1|1,0,1]=4