0 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 70771 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 95210 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 F14663 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 C74725 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 NC1=CC(C2=CC=CC=C2)=CS1 88673 [0,0,0,0,0,0|1,1,2]=4 7 B13R2.10 NC1=CC(C2=CC=CC=C2)=NS1 C72650 [0,0,0,0,0,0|2,1,1]=4 8 B13R2.10 NC1=CN(C2=CC=CC=C2)C=N1 50232 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 NC1=CN(C2=CC=CC=C2)N=C1 F18640 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [0,0,0,0,0,0|0,0,2]=2 11 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 78070 [0,0,0,0,0,0|1,1,2]=4 12 B13R2.10 NC1=NC(C2=NC=CC=C2)=NN1 D71933 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.10 NC1=NC(C2=NC=CC=C2)=NS1 31300 [0,0,0,0,0,0|2,1,1]=4 14 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 FD10515 [0,0,0,0,0,0|1,0,3]=4 15 B13R2.10 NC1=NC=C(C2=CC=CC=C2)O1 C90525 [0,0,0,0,0,0|2,0,2]=4 16 B13R2.10 NC1=NN=C(C2=CC=CC=C2)N1 76322 [0,0,0,0,0,0|2,0,2]=4 17 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.10 O=C1C[C@H](C2=CN=CC=C2)CN1 F13637 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [0,0,0,0,0,0|1,1,1]=3 23 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [0,0,0,0,0,0|2,0,1]=3 24 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [0,0,0,0,0,0|1,1,1]=3 25 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [0,0,0,0,0,0|1,1,1]=3 26 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [1,0,0,0,0,0|0,0,2]=3 27 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 F30143 [1,0,0,0,0,0|0,1,2]=4 28 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 36029 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,0,0,0|1,0,2]=4 30 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,0,0,0|1,0,2]=4 31 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,0,0,0|1,0,2]=4 32 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,0,0,0|2,0,1]=4 35 B14R2.8 NCC1=NN(C2=CC=CC=C2)C=C1 C80005 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.8 OCC1=NC(C2=CC=CC=C2)=NO1 W11077 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.20 CC1=CC=C(C2=NOC(N)=C2)C=C1 30882 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 53464 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=CS1 86951 [0,1,0,0,0,0|0,1,2]=4 40 B14R2.20 NC1=NC(C2=CC=C(Cl)C=C2)=NN1 W15035 [0,1,0,0,0,0|2,0,1]=4 41 B14R2.20 NC1=NC(C2=CC=C(I)C=C2)=CS1 29787 [0,1,0,0,0,0|0,1,2]=4 42 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 O11290 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 C73927 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65772 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65720 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 65771 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 W10423 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [0,1,0,0,0,0|1,0,1]=3 49 B14R2.22 CC1=CC=CC([C@@H]2CNC(=O)C2)=C1 58201 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 53462 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.22 NC1=CC(C2=CC=CC(Br)=C2)=NO1 30623 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 32446 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 SC1181 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 SC1221 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.256 CC1=C([C@@H]2CNC(=O)C2)C=CC=C1 58204 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.256 NC1=CC(C2=C(Br)C=CC=C2)=NO1 32447 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.256 NC1=CC(C2=C(Cl)C=CC=C2)=NO1 AC1661 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.256 NC1=NC(C2=C(Br)C=CC=C2)=CS1 86927 [0,1,0,0,0,0|0,1,2]=4 59 B14R2.256 NC1=NC(C2=C(Cl)C=CC=C2)=NN1 W15034 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.256 O=C1CC[C@@H](C2=C(Br)C=CC=C2)N1 74691 [0,1,0,0,0,0|2,0,1]=4 61 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 53466 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.256 O=C1C[C@H](C2=C(Br)C=CC=C2)CN1 F53811 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.256 O=C1C[C@H](C2=C(Cl)C=CC=C2)CN1 65781 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.256 O=C1C[C@H](C2=C(F)C=CC=C2)CN1 58206 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.598 NC1=NN(C2=CC=CC=C2)C(=O)C1 F53363 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.598 NC1=NN(C2=CC=CC=C2)C(O)=C1 C77070 [0,1,0,0,0,0|2,0,1]=4 67 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,1,0,0,0|2,0,1]=4 69 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,1,0,0,0|1,0,1]=3 71 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,0,1,0,0,0|2,0,0]=3 73 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,0,1,0,0,0|2,0,0]=3 74 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,0,1,0,0,0|3,0,0]=4 76 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,0,0,0,1,0|2,0,1]=4 77 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,0,0,0,1,0|1,0,1]=3 78 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,0,0,0,1,0|2,0,1]=4 79 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,0,0,0,1,0|2,0,1]=4 80 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,0,1,0|1,0,1]=3 81 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,0,0,1,0|3,0,0]=4 82 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,0,1,0|2,0,0]=3 83 B14R2.19 NC1=NN(CC2=CC=CC=C2)N=N1 W18857 [0,0,0,0,0,1|3,0,0]=4 84 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,0,0,0,0,1|1,1,1]=4 85 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,0,0,0,0,1|1,1,1]=4 86 B14R2.21 NC1=NC(C2=CC=CC=C2)=CN=C1 54185 [0,0,0,0,0,1|1,0,2]=4 87 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [0,0,0,0,0,1|3,0,0]=4 88 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83568 [0,0,0,0,0,1|1,0,2]=4 89 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=N1 D94979 [0,0,0,0,0,1|1,0,2]=4 90 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 AB9890 [0,0,0,0,0,1|2,0,1]=4 91 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [0,0,0,0,0,1|1,0,1]=3 92 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [0,0,0,0,0,1|1,0,1]=3 93 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [0,0,0,0,0,1|3,0,0]=4 94 B14R2.68 O=C1NCC(C2=CC=CC=C2)=NN1 W10750 [0,0,0,0,0,1|2,0,1]=4 95 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [1,0,1,0,0,0|0,0,2]=4 96 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [1,0,1,0,0,0|0,0,1]=3 97 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,0,1,0,0,0|1,0,1]=4 98 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,0,1,0,0,0|1,0,1]=4 99 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,0,1,0,0,0|1,0,1]=4 100 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,0,1,0,0,0|1,0,1]=4 101 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,0,1,0,0,0|0,0,2]=4 102 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,0,1,0,0,0|1,0,1]=4 103 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [1,0,1,0,0,0|0,0,2]=4 104 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,1,0,0,0|1,0,1]=4 105 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 Y11662 [0,1,1,0,0,0|2,0,0]=4 106 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 D87477 [0,1,1,0,0,0|2,0,0]=4 107 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C74823 [0,1,1,0,0,0|2,0,0]=4 108 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,1,1,0,0,0|2,0,0]=4 109 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,1,1,0,0,0|2,0,0]=4 110 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [0,1,1,0,0,0|2,0,0]=4 111 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [0,1,1,0,0,0|2,0,0]=4 112 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [0,1,1,0,0,0|2,0,0]=4 113 B13R1.45 NC(=O)OC[C@H](O)C1=CC=CC=C1 D93074 [0,1,1,0,0,0|1,0,0]=3 114 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,1,1,0,0,0|2,0,0]=4 115 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 D73877 [0,1,1,0,0,0|2,0,0]=4 116 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [0,1,1,0,0,0|2,0,0]=4 117 B13R2.12 NC1=CC=C(C2=NOC=N2)C=C1 AB22802 [1,1,0,0,0,0|1,0,1]=4 118 B13R2.15 BrC1=C(C2=CC=CC=C2)N=CO1 AT18676 [1,1,0,0,0,0|0,0,2]=4 119 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 AC4848 [0,1,0,0,1,0|1,0,1]=4 120 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 91861 [0,1,0,0,1,0|2,0,0]=4 121 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 91866 [0,1,0,0,1,0|2,0,0]=4 122 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)C1 91865 [0,1,0,0,1,0|2,0,0]=4 123 B13R2.238 NC1CC(O)(C2=CC=CC=C2)C1 P14926 [0,1,0,0,1,0|1,0,1]=4 124 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 70707 [0,1,0,0,1,0|1,0,1]=4 125 B15R2.94 CC1OC[C@@H](C2=CC=CC=C2)NC1=O F52707 [0,1,0,0,0,1|1,0,1]=4 126 B15R2.303 CC1=C(F)C=CC=C1[C@@H]2COC(N)=N2 90497 [0,2,0,0,0,0|0,0,0]=2 127 B13R2.32 CC1=C(N)N=CC2=CC=CC=C21 D94798 [0,0,1,1,0,0|1,0,1]=4 128 B13R2.371 N[C@H]1COC(=O)C2=C1C=CC=C2 Y11200 [0,0,1,1,0,0|1,0,1]=4 129 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,0,1,1,0,0|2,0,0]=4 130 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,0,1,1,0,0|2,0,0]=4 131 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,1,1,0,0|2,0,0]=4 132 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 C11445 [1,0,0,1,0,0|2,0,0]=4 133 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,1,0,1,0|2,0,0]=4 134 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,0,1,0,1,0|2,0,0]=4 135 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,0,1,0,1,0|1,0,0]=3 136 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,0,1,0,1,0|2,0,0]=4 137 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,0,1,0|1,0,1]=4 138 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,0,1,0|0,0,1]=3 139 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,0,1,0|0,0,2]=4 140 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,0,2,0|0,0,1]=3 141 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,0,2,0|0,0,1]=3 142 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,0,2,0|0,0,1]=3 143 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,0,2,0|0,0,1]=3 144 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,0,2,0|0,0,1]=3 145 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,0,2,0|1,0,1]=4 146 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 C76122 [0,0,1,0,0,1|1,0,0]=3 147 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 78486 [0,0,1,0,0,1|2,0,0]=4 148 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 W16215 [0,0,0,0,0,2|1,0,1]=4