0 B13R2.10 BrC1=NNC(C2=CC=CC=C2)=N1 AT12529 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 NC1=CN(C2=CC=CC=C2)C=N1 F17313 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 AT24335 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.10 NC1=NC(C2=CC=NC=C2)=NN1 71219 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 NC1=NC(C2=CC=NC=C2)=NS1 31304 [0,0,0,0,0,0|2,1,1]=4 5 B13R2.10 NC1=NC(C2=CN=CC=C2)=NS1 31302 [0,0,0,0,0,0|2,1,1]=4 6 B13R2.10 NC1=NN(C2=CC=CC=C2)N=C1 S10660 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 W13327 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.10 O=C1CCC(C2=CC=NC=C2)N1 91626 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 AC5685 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.2 C1=CC(C2=COC=N2)=CN=C1 O11100 [1,0,0,0,0,0|1,0,2]=4 12 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 C14865 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.2 C1=CC=C(N2N=CC=N2)C=C1 F17311 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E70057 [1,0,0,0,0,0|2,0,1]=4 15 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 C15962 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.8 NCC1=COC(C2=CC=CC=C2)=N1 C15591 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.8 NCC1=NN(C2=CC=CC=C2)N=C1 W18951 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.20 CC1=CC=C([C@@H]2CNC(=O)C2)C=C1 65774 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92458 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92463 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=NO1 E71382 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 T71349 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.20 NC1=CC=C(C2=CSC(N)=N2)C=C1 91146 [0,1,0,0,0,0|0,1,2]=4 24 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CO1 D85515 [0,1,0,0,0,0|0,0,2]=3 25 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=NS1 31218 [0,1,0,0,0,0|1,1,1]=4 26 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 91622 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)N1 91621 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.20 O=C1CC[C@@H](C2=CC=C(Cl)C=C2)N1 C15480 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.20 O=C1CC[C@H](C2=CC=C(Br)C=C2)C1 94439 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.20 O=C1CC[C@H](C2=CC=C(Br)C=C2)C1 94442 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 C92460 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 C92461 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.20 O=C1C[C@H](C2=CC=C(Br)C=C2)CN1 65769 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65754 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.20 O=C1N[C@H](C2=CC=C(Br)C=C2)CO1 C77587 [0,1,0,0,0,0|1,0,1]=3 36 B14R2.22 CC1=CC=CC(C2=CSC(N)=N2)=C1 86965 [0,1,0,0,0,0|0,1,2]=4 37 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 C92465 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 C92467 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 65777 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.22 NC1=NC(C2=CC(O)=CC=C2)=CS1 C77656 [0,1,0,0,0,0|0,1,2]=4 41 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 94459 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 94464 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 AT13918 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.22 O=C1CC[C@H](C2=CC=CC(Cl)=C2)C1 53472 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 53468 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 C92468 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 C92471 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.22 O=C1C[C@H](C2=CC=CC(Cl)=C2)CN1 65766 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.22 O=C1C[C@H](C2=CC=CC(F)=C2)CN1 65764 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.22 O=C1NC[C@@H](C2=CC=CC(Br)=C2)O1 W10425 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.22 O=C1N[C@H](C2=CC=CC(Br)=C2)CO1 C77588 [0,1,0,0,0,0|1,0,1]=3 52 B14R2.256 CC1=C([C@H]2CCC(=O)C2)C=CC=C1 C92464 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.256 CC1=C([C@H]2CCC(=O)C2)C=CC=C1 C92466 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.256 NC1=CC(C2=C(O)C=CC=C2)=NO1 O10483 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.256 NC1=NN(C2=C(F)C=CC=C2)C=C1 57131 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.256 O=C1CC[C@H](C2=C(Cl)C=CC=C2)C1 53471 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 C92469 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 C92470 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.256 O=C1NC[C@@H](C2=C(Br)C=CC=C2)O1 W10421 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.598 O=C1N[C@H](C2=CC=CC=C2)C(=O)O1 AC5944 [0,1,0,0,0,0|1,0,2]=4 61 B14R2.598 O=C1N[C@H](C2=CC=CC=C2)C(=O)O1 AC5945 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,0,1,0,0,0|1,0,2]=4 63 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [0,0,1,0,0,0|0,0,2]=3 64 B12R1.252 N=C(N)SCCC1=NC=CC=C1 F17998 [0,0,1,0,0,0|1,1,0]=3 65 B12R1.252 NC(=O)CNCC1=CC=CC=C1 F52328 [0,0,1,0,0,0|3,0,0]=4 66 B12R2.22 BrC1CC(C2=CC=CC=C2)C1 AT17150 [0,0,0,0,1,0|2,0,1]=4 67 B12R2.22 NC1CC(C2=CC=CN=C2)C1 F53675 [0,0,0,0,1,0|2,0,1]=4 68 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P20296 [0,0,0,0,1,0|2,0,1]=4 69 B12R2.22 O=C1CC(C2=CN=CC=C2)C1 F53801 [0,0,0,0,1,0|3,0,0]=4 70 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [0,0,0,0,1,0|1,0,1]=3 71 B12R2.22 OC1CC(C2=CC=CC=C2)C1 91859 [0,0,0,0,1,0|2,0,1]=4 72 B14R2.19 NC1=CC(CC2=CC=CC=C2)=NO1 72480 [0,0,0,0,0,1|2,0,1]=4 73 B14R2.19 NC1=NC(CC2=CC=CC=C2)=NN1 AT12246 [0,0,0,0,0,1|2,0,1]=4 74 B14R2.19 O=C1CC[C@H](CC2=CC=CC=C2)C1 33453 [0,0,0,0,0,1|3,0,0]=4 75 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=N1 AT25742 [0,0,0,0,0,1|1,0,2]=4 76 B14R2.21 NC1CCOC(C2=CC=CC=C2)C1 AT18935 [0,0,0,0,0,1|2,0,1]=4 77 B14R2.21 N[C@H]1CCO[C@H](C2=CC=CC=C2)C1 C77111 [0,0,0,0,0,1|2,0,1]=4 78 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)N1 C15767 [0,0,0,0,0,1|2,0,1]=4 79 B14R2.21 O=C1CCN[C@H](C2=CC=CC=C2)C1 S11348 [0,0,0,0,0,1|3,0,0]=4 80 B14R2.21 O=C1COC[C@@H](C2=CN=CC=C2)N1 F13764 [0,0,0,0,0,1|2,0,1]=4 81 B14R2.21 O=C1C[C@@H](C2=CC=CC=C2)CCN1 P10604 [0,0,0,0,0,1|3,0,0]=4 82 B14R2.68 CC1CN[C@H](C2=CC=CC=C2)CO1 F52471 [0,0,0,0,0,1|1,0,2]=4 83 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83572 [0,0,0,0,0,1|1,0,2]=4 84 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 F17071 [0,0,0,0,0,1|1,0,2]=4 85 B14R2.68 NC1=NN=C(C2=CC=CC=C2)CS1 F13861 [0,0,0,0,0,1|0,1,1]=3 86 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 T70008 [0,0,0,0,0,1|2,0,1]=4 87 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77665 [0,0,0,0,0,1|1,0,1]=3 88 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P18324 [0,0,0,0,0,1|1,0,1]=3 89 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 N12976 [1,0,1,0,0,0|0,0,2]=4 90 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [1,0,1,0,0,0|0,0,2]=4 91 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14729 [1,0,1,0,0,0|0,0,2]=4 92 B11R1.16 NCC[C@H](N)C1=CC=CC=C1 N14730 [1,0,1,0,0,0|0,0,2]=4 93 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [1,0,1,0,0,0|1,0,1]=4 94 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [1,0,1,0,0,0|1,0,0]=3 95 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 28085 [0,1,1,0,0,0|2,0,0]=4 96 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 75007 [0,1,1,0,0,0|2,0,0]=4 97 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 N12271 [0,1,1,0,0,0|2,0,0]=4 98 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,1,1,0,0,0|2,0,0]=4 99 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12610 [0,1,1,0,0,0|2,0,0]=4 100 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,1,1,0,0,0|2,0,0]=4 101 B13R1.201 C[C@H](NC(N)=S)C1=C(F)C=CC=C1 F50237 [0,1,1,0,0,0|0,1,1]=4 102 B13R1.149 NC(=O)NCCC1=CC(O)=CC=C1 E72610 [0,1,1,0,0,0|2,0,0]=4 103 B13R2.12 NC1=CC=C(C2=NOC=N2)C=C1 AT21597 [1,1,0,0,0,0|1,0,1]=4 104 B13R2.13 NC1=CC=CC(C2=COC=N2)=C1 D82649 [1,1,0,0,0,0|0,0,2]=4 105 B13R2.223 N[C@@]1(C2=CC=CC=C2)CCOC1 C91583 [1,1,0,0,0,0|1,0,1]=4 106 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53252 [0,1,0,0,1,0|1,0,1]=4 107 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53253 [0,1,0,0,1,0|1,0,1]=4 108 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53254 [0,1,0,0,1,0|1,0,1]=4 109 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53309 [0,1,0,0,1,0|1,0,1]=4 110 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,1,0,0,1,0|2,0,0]=4 111 B13R2.147 O=C1C[C@@H](C2=CC=C(F)C=C2)N1 D77336 [0,1,0,0,1,0|1,0,1]=4 112 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,1,0,0,1,0|2,0,0]=4 113 B13R2.216 O=C1CC(C2=C(Cl)C=CC=C2)C1 AC2850 [0,1,0,0,1,0|2,0,0]=4 114 B15R2.98 O=C1N[C@@H](CC2=CC=C(Cl)C=C2)CO1 D86286 [0,1,0,0,0,1|1,0,1]=4 115 B15R2.94 C[C@H]1OC[C@@H](C2=CC=CC=C2)NC1=O 83567 [0,1,0,0,0,1|1,0,1]=4 116 B15R2.1113 C[C@@]1(C2=CC=CC=C2)COCC(=O)N1 66216 [0,1,0,0,0,1|1,0,1]=4 117 B15R2.303 CC1=C(F)C=CC=C1[C@@H]2COC(N)=N2 90498 [0,2,0,0,0,0|0,0,0]=2 118 B15R2.6956 NC1=NN(C2=C(F)C=CC=C2F)CC1 92811 [0,2,0,0,0,0|2,0,0]=4 119 B13R2.328 C[C@H]1CC(=O)NC2=C1C=CC=C2 F18223 [0,0,1,1,0,0|1,0,1]=4 120 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P18907 [0,0,1,1,0,0|2,0,0]=4 121 B13R2.72 NC(=O)[C@@H]1CCC2=C1C=CC=C2 81814 [0,0,1,1,0,0|2,0,0]=4 122 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 74053 [0,0,1,0,1,0|1,0,1]=4 123 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [1,0,0,0,1,0|1,0,1]=4 124 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 A50749 [1,0,0,0,1,0|0,0,2]=4 125 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C14923 [0,0,0,0,2,0|0,0,1]=3