0 B9R1.11 CC[C@H](N)C1=COC=C1 N16720 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.11 CC[C@H](N)C1=COC=C1 N16721 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.11 CC[C@H](N)C1=COC=C1 N16722 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CC[C@H](N)C1=CSC=N1 N14434 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.11 CC[C@H](N)C1=NC=CS1 N14679 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.11 CC[C@H](N)C1=NC=CS1 N14680 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.11 CN[C@@H](C)C1=CSC=N1 F14265 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.11 CN[C@@H](C)C1=NC=CS1 AT10975 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.11 CN[C@@H](C)C1=NOC=C1 AT10964 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.11 C[C@@H](CCl)N1C=NC=N1 AT12261 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.11 C[C@@H](CO)N1C=NC=N1 AT12260 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14696 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.11 N[C@@H](CO)C1=CSC=N1 N14697 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14686 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14688 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 C=C(C)C1=NC=CS1 T71747 [1,0,0,0,0,0|0,0,2]=3 20 B8R1.7 CC(C)C1=NN=CN1 AT12319 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 CC(C)N1N=CN=N1 F17158 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [1,0,0,0,0,0|2,1,0]=4 24 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [1,0,0,0,0,0|2,1,0]=4 25 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 C[C@H](N)C1=NC=NN1 AT10973 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 C[C@H](N)C1=NN=CN1 D75137 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 C[C@H](N)C1=NNC=N1 AC8934 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 C[C@H](O)C1=NN=CN1 AT21384 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 NC(=S)C1=NC=CS1 AT14697 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.8 CCCC1=NCCO1 T72500 [1,0,0,0,0,0|0,1,2]=4 56 B8R1.8 CCNC1=NC=NN1 AT21327 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.8 CCNC1=NN=CO1 AT18792 [1,0,0,0,0,0|2,1,0]=4 58 B8R1.8 CNCC1=CN=CS1 71400 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.8 CNCC1=CSC=N1 AT10976 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.8 CNCC1=CSC=N1 AT14743 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.8 CNCC1=NC=CN1 W10149 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.8 CNCC1=NC=CS1 AT10974 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.8 CNCC1=NNC=C1 F31265 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.8 CNCC1=NOC=C1 AT10962 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.8 COCC1=NC=CN1 P10070 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.8 COCC1=NNC=N1 AT12266 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.8 ClCCC1=CNC=N1 D82567 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.8 N#CCC1=NC=CN1 F17294 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.8 NNCC1=CC=CS1 P10519 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.8 O=CCC1=CC=CS1 O10539 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.8 O=CCC1=NC=CS1 D88143 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.6 CC(C)(CCl)N1C=CC=N1 AT15797 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.6 CC(C)(CN)C1=CC=CS1 AT16438 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.6 CC(C)(CO)C1=CC=CS1 AC6974 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.6 CC(C)(CO)C1=NNC=C1 AT16000 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.6 CC(C)(CO)N1C=CC=N1 AT15760 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,1,0,0,0,0|2,1,0]=4 82 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,1,0,0,0,0|2,1,0]=4 83 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.11 CCOC(=O)C1=NC=NS1 AC6985 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [0,1,0,0,0,0|2,1,0]=4 87 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.11 N[C@@H](CCO)C1=CC=CS1 N12967 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14689 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14690 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14691 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,0,0|2,1,0]=4 95 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14681 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.23 CC(C)[C@H](N)C1=NC=CS1 N14682 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,0,0|2,1,0]=4 98 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,0,0|2,1,0]=4 100 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,0,0|2,1,0]=4 101 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,0,0|2,1,0]=4 102 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,0,0|2,1,0]=4 103 B10R1.149 CN1C=CN=C1[C@@H](O)CN F20265 [0,1,0,0,0,0|3,0,0]=4 104 B10R2.16 NC1(C2=CC=CO2)CC1 CS1803 [0,0,0,1,0,0|2,1,0]=4 105 B10R2.16 NC1(C2=CC=CS2)CC1 E10038 [0,0,0,1,0,0|2,0,0]=3 106 B10R2.16 NC1(C2=CC=CS2)CC1 E10040 [0,0,0,1,0,0|2,0,0]=3 107 B10R2.16 NC1(C2=NN=CS2)CC1 AT10564 [0,0,0,1,0,0|2,0,0]=3 108 B10R2.136 C1=CN(C2CNC2)N=C1 C90684 [0,0,0,1,0,0|3,0,0]=4 109 B10R2.136 C1=NC(C2CCC2)=NN1 AT12513 [0,0,0,1,0,0|2,0,0]=3 110 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.15 CCN(C)C1=NC=CC=C1 T72928 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [0,0,0,0,0,1|2,0,0]=3 114 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P11367 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P15053 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,0,0,0,0,1|3,0,0]=4 123 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [1,0,1,0,0,0|1,0,1]=4 124 B7R1.1 C=CC1=NC=CS1 C72532 [2,0,0,0,0,0|0,0,2]=4 125 B7R1.1 CCC1=COC=N1 C77618 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.1 CCC1=NN=CN1 AT12320 [2,0,0,0,0,0|2,0,0]=4 127 B7R1.1 CNC1=NC=CS1 H11141 [2,0,0,0,0,0|1,0,0]=3 128 B7R1.1 CNC1=NN=CS1 71255 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.1 ClCC1=NC=CN1 35198 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.1 ClCC1=NC=CS1 AC6679 [2,0,0,0,0,0|1,0,0]=3 131 B7R1.1 NNC1=NC=CS1 D87841 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.1 OCC1=NC=CN1 D72609 [2,0,0,0,0,0|2,0,0]=4 133 B7R1.1 SCC1=CC=CS1 T72725 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.19 CC(C)(C)C1=NN=CN1 AT12318 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.19 CC(C)(C)C1=NN=CS1 AT18929 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.35 CC(C)C1=CSC(Br)=N1 C71112 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.35 CC(C)C1=NC(=N)NN1 W17848 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.35 CC(C)C1=NC(Br)=NO1 AT25812 [1,1,0,0,0,0|1,1,0]=4 139 B9R1.35 CC(C)C1=NC(N)=NS1 AT11904 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.35 CC(C)C1=NC=C(Br)N1 AT15320 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.35 CC(C)C1=NC=C(Br)O1 AT18554 [1,1,0,0,0,0|0,1,0]=3 142 B9R1.35 CC(C)C1=NN=C(Br)N1 AT12504 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.35 CC(C)C1=NN=C(Cl)O1 AT18785 [1,1,0,0,0,0|1,1,0]=4 144 B9R1.35 CC(C)C1=NN=C(S)O1 AT18784 [1,1,0,0,0,0|1,1,0]=4 145 B9R1.35 CC(C)C1=NSC(Br)=N1 AT11969 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.35 CC(C)N1C=CC(I)=N1 C91460 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.35 CC(C)N1N=CC(N)=N1 AT21822 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.35 CC(C)N1N=CC(N)=N1 AT25230 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.35 CC1=CC(C(C)C)=NN1 89085 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [1,1,0,0,0,0|1,1,0]=4 151 B9R1.35 CC1=NN=C([C@H](C)N)S1 AT18921 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.35 CN(C)C1=NN=C(S)S1 AT18880 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.35 C[C@H](N)C1=CC=C(Cl)S1 30561 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 39106 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 P19372 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.35 C[C@H](O)C1=NC(Br)=CS1 AT21269 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.35 FC(F)C1=NC(Br)=CS1 AT14734 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.41 CC(C)C1=C(Br)SC=N1 AC2048 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.41 CC(C)C1=C(N)NC=N1 F52613 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.41 CC(C)C1=C(N)SC=N1 W15851 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.41 CC(C)C1=NC=CN1C 63235 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.41 CC(C)N1N=CC=C1O P20906 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.41 C[C@H](N)C1=NC=CN1C AT22196 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.7 CC1=CC=C(CCN)S1 31616 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.7 CC1=CNC(CCN)=N1 F17871 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.7 CC1=CSC(CCN)=C1 96997 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.7 CC1=NN=C(CCN)S1 AT18987 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.7 CCCC1=COC(Br)=N1 AT18459 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.7 CCCC1=NC(Br)=NN1 AT12133 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.7 CCCC1=NN=C(S)O1 AT18828 [1,1,0,0,0,0|1,1,0]=4 171 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.7 CCCN1N=CC(N)=N1 AT21823 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.7 CCOC1=NC(N)=NS1 AT11907 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.7 CCOC1=NN=C(N)S1 AT18846 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.7 CCOC1=NN=C(S)S1 AT18848 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.7 CCSC1=NC(C)=CS1 H11517 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.7 CNCC1=CC=C(C)S1 75578 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.7 CNCC1=NC(C)=CS1 70492 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.7 CNCC1=NN=C(C)S1 AT18922 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.7 COCC1=NN=C(Br)S1 AT18868 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.7 COCC1=NN=C(Cl)S1 AT19000 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.7 N#CCC1=NC(Cl)=CS1 95173 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.7 N#CCC1=NC=C(Br)S1 P13016 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.7 N#CCC1=NC=C(Cl)S1 P13017 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.7 NCCC1=NC=C(Br)S1 AT14710 [1,1,0,0,0,0|1,0,0]=3 186 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.12 ICCCC1=CC=CS1 AC6959 [1,1,0,0,0,0|1,0,0]=3 188 B9R1.12 NCCCC1=NC=CN1 F10426 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.12 NCCCC1=NN=CS1 AT18988 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.12 NCCCN1N=CC=N1 74610 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.12 OCCNC1=NC=CS1 AT14889 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.13 C[C@H](N)CC1=NNC=C1 I11135 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [1,1,0,0,0,0|1,1,0]=4 194 B9R1.33 CCOC1=C(C)C=CS1 91672 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.33 CN1C=CN=C1CCN AT24187 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.33 CNCC1=NC=CN1C AT15623 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.12 CCC(CC)C1=CC=CC=C1 T71625 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.16 CNC[C@H](C)C1=CC=CC=C1 C11240 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 74043 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y10672 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.36 CC(C)[C@H](O)C1=CN=CC=C1 AC2743 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.30 NCCC(=O)NC1=NC=CS1 F21028 [0,1,0,0,0,1|1,0,1]=4 209 B11R1.33 C#CC[C@](C)(O)C1=CC=CS1 AC7195 [0,2,0,0,0,0|1,0,1]=4 210 B11R1.357 CC(C)(C)[C@H](N)C1=NC=CS1 N14684 [0,2,0,0,0,0|1,0,0]=3 211 B11R1.357 CC(C)(C)[C@H](N)C1=NC=CS1 N14685 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.357 N[C@H](C1=NC=CS1)C(F)(F)F N13235 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.59 CC[C@H](C)N1N=CC=C1C=O AT15966 [0,2,0,0,0,0|2,0,0]=4 214 B9R2.2 C1=CSC(C2CC2)=N1 95281 [1,0,0,1,0,0|0,0,0]=2 215 B9R2.2 C1=NC(C2CC2)=CN1 70406 [1,0,0,1,0,0|2,0,0]=4 216 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,0,0,1,0,1|2,0,0]=4 217 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,0,0,1,0,1|2,0,0]=4 218 B11R2.40 NC1(C2=NC=CC=C2)CC1 80305 [0,0,0,1,0,1|2,0,0]=4 219 B11R2.40 NC1(C2=NC=CC=C2)CC1 80312 [0,0,0,1,0,1|2,0,0]=4 220 B11R2.40 NC1(C2=NC=CC=N2)CC1 P12924 [0,0,0,1,0,1|2,0,0]=4 221 B11R2.239 C1=CC(C2CNC2)=NC=N1 74669 [0,0,0,1,0,1|2,0,0]=4 222 B11R2.239 C1=CC=C(C2CCC2)C=C1 F52090 [0,0,0,1,0,1|2,0,0]=4 223 B11R2.239 C1=CN=C(C2CNC2)C=C1 F31095 [0,0,0,1,0,1|2,0,0]=4 224 B11R2.36 C[C@H]1CCC2=CC=NN2C1 56905 [0,0,0,1,0,1|2,0,0]=4 225 B11R2.23 NCC1(N2C=CC=N2)CC1 AT15783 [0,1,0,1,0,0|2,0,0]=4 226 B11R2.23 NCC1(N2N=CC=N2)CC1 AT25236 [0,1,0,1,0,0|2,0,0]=4 227 B11R2.23 NCC1(N2N=CC=N2)CC1 AT25237 [0,1,0,1,0,0|2,0,0]=4 228 B11R2.23 OCC1(C2=CC=CS2)CC1 F18412 [0,1,0,1,0,0|1,0,0]=3 229 B11R2.57 OC1(C2=NC=CS2)CCC1 F30576 [0,1,0,1,0,0|0,0,0]=2 230 B11R2.392 CC1(C)NCC2=C1SC=C2 92427 [0,1,0,1,0,0|2,0,0]=4 231 B11R2.2 C1=CN([C@H]2CCOC2)N=C1 W15558 [0,1,0,1,0,0|2,0,0]=4 232 B11R2.2 C1=CNC([C@@H]2CCCN2)=C1 N12568 [0,1,0,1,0,0|1,0,1]=4 233 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16712 [0,1,0,1,0,0|1,1,0]=4 234 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16713 [0,1,0,1,0,0|1,1,0]=4 235 B11R2.2 C1=CSC(C2OCCO2)=N1 P10341 [0,1,0,1,0,0|1,0,0]=3 236 B11R2.2 C1=CSC([C@@H]2CCCN2)=C1 N12499 [0,1,0,1,0,0|1,0,0]=3 237 B11R2.2 C1=NC([C@@H]2CCCN2)=CS1 N14695 [0,1,0,1,0,0|2,0,0]=4 238 B11R2.2 C1=NC([C@H]2CCNC2)=NO1 AT21647 [0,1,0,1,0,0|2,0,0]=4 239 B11R2.106 C[C@@H]1NCCC2=C1N=CN2 W14997 [0,1,0,1,0,0|2,0,0]=4 240 B11R2.1031 N[C@H](C1=CC=CS1)C2CC2 N12712 [0,1,0,1,0,0|2,0,0]=4 241 B11R2.1031 N[C@H](C1=NC=CS1)C2CC2 N14683 [0,1,0,1,0,0|1,0,0]=3 242 B11R2.352 BrC1=CN=C(C2CCC2)O1 AT18674 [0,1,0,1,0,0|0,1,0]=3 243 B11R2.352 BrC1=NC=C(C2CCC2)S1 56519 [0,1,0,1,0,0|2,0,0]=4 244 B11R2.352 CC1=CN=C(C2CNC2)O1 50242 [0,1,0,1,0,0|1,1,0]=4 245 B11R2.352 CC1=CSC(C2CNC2)=N1 50241 [0,1,0,1,0,0|1,0,0]=3 246 B11R2.352 NC1=CC(C2CCC2)=NN1 77092 [0,1,0,1,0,0|2,0,0]=4 247 B11R2.352 NC1=NC=C(C2CCC2)S1 56515 [0,1,0,1,0,0|2,0,0]=4 248 B11R2.352 NC1=NN=C(C2CCC2)S1 AT11932 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [1,0,0,0,0,1|2,0,0]=4 250 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,0,0,0,0,1|2,0,0]=4 251 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [1,0,0,0,0,1|2,0,0]=4 252 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,0,0,0,0,1|2,0,0]=4 253 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [1,0,0,0,0,1|2,0,0]=4 254 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [1,0,0,0,0,1|2,0,0]=4 255 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,0,0,0,0,1|2,0,0]=4 256 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,0,0,0,0,1|2,0,0]=4 257 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [1,0,0,0,0,1|2,0,0]=4 258 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [1,0,0,0,0,1|2,0,0]=4 259 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [1,0,0,0,0,1|2,0,0]=4 260 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,1|2,0,0]=4 261 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,1|1,0,0]=3 262 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,0,0,0,0,1|2,0,0]=4 263 B9R1.8 CNCC1=NC=CC=N1 27199 [1,0,0,0,0,1|2,0,0]=4 264 B9R1.8 CNCC1=NC=CC=N1 72796 [1,0,0,0,0,1|2,0,0]=4 265 B9R1.8 CNCC1=NC=NC=C1 C14477 [1,0,0,0,0,1|2,0,0]=4 266 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,1|2,0,0]=4 267 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,1|2,0,0]=4 268 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,1|2,0,0]=4 269 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,1|2,0,0]=4 270 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,1|2,0,0]=4 271 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,1|2,0,0]=4