0 B7R1.1 BrCC1=NON=C1 D73995 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.1 C#CC1=CC=CO1 AC9158 [0,0,0,0,0,0|0,0,2]=2 2 B7R1.1 CCC1=NNC=C1 D77034 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 CNC1=CN=CN1 57325 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CNC1=NN=CN1 AT21326 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 COC1=CNC=N1 AT24767 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 COC1=CNN=C1 AT16003 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 CSC1=NNC=C1 W10957 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 ClCC1=NSN=C1 AT12132 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 N#CC1=NSC=C1 F14136 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 NCC1=CC=NS1 C77431 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 NCC1=CN=CO1 P10824 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.1 NCC1=CON=C1 P10602 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 NCC1=NN=CS1 AT18927 [0,0,0,0,0,0|3,1,0]=4 14 B7R1.1 NCC1=NSN=C1 AT12135 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.1 O=CC1=CC=NO1 C73163 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.1 OCC1=NN=CS1 AT19532 [0,0,0,0,0,0|3,1,0]=4 18 B7R1.1 OCC1=NSN=C1 AT12125 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 BrC1=CN=CO1 AT11056 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 BrC1=COC=N1 AT11057 [1,0,0,0,0,0|3,0,0]=4 21 B6R1.2 CN1CC=CC1 A10777 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 FC1=NC=CN1 73631 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=COC=C1 AC9528 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 O=C1C=COC1 D75288 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 O=C1NC=CO1 C74434 [1,0,0,0,0,0|2,0,0]=3 26 B6R1.2 OC1=CC=CS1 AC4704 [1,0,0,0,0,0|1,1,0]=3 27 B6R1.2 SC1=NN=CO1 AT18825 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 BrCC1=NC=C(Br)O1 87116 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.1 C#CC1=CC=C(F)S1 AT23390 [0,1,0,0,0,0|0,1,2]=4 30 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.1 CC1=NC(CBr)=CS1 D78646 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.1 CC1=NSC(CO)=C1 AT21143 [0,1,0,0,0,0|2,1,0]=4 36 B8R1.1 CCC1=CC=C(N)S1 AT14665 [0,1,0,0,0,0|0,1,0]=2 37 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.1 CCC1=NOC(Br)=C1 AT19746 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.1 CCC1=NOC(O)=C1 AT19691 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.1 CNC1=NC(N)=CS1 CS2925 [0,1,0,0,0,0|2,1,0]=4 41 B8R1.1 COC1=CC(Br)=CS1 P19567 [0,1,0,0,0,0|1,1,0]=3 42 B8R1.1 COC1=NC(I)=CS1 AT14886 [0,1,0,0,0,0|2,1,0]=4 43 B8R1.1 COC1=NC=C(I)S1 AT14884 [0,1,0,0,0,0|2,1,0]=4 44 B8R1.1 COC1=NOC(Br)=C1 AT19613 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.1 COC1=NOC(O)=C1 AT19567 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 COC1=NOC(S)=C1 AT19574 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 COC1=NSC(Br)=C1 AT11775 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.1 COC1=NSC(N)=C1 AT11780 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.1 CSC1=NC=C(Br)S1 AT14712 [0,1,0,0,0,0|2,1,0]=4 51 B8R1.1 ClC1=CSC(CBr)=C1 AT16713 [0,1,0,0,0,0|1,1,0]=3 52 B8R1.1 ClCC1=CSC(Cl)=C1 AT16568 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.1 N#CC1=CC(N)=NO1 AT19774 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.1 NC1=NN=C(CO)O1 D74007 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 NCC1=CC(O)=NO1 D86836 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.1 NCC1=CN=C(Br)S1 AT14675 [0,1,0,0,0,0|2,1,0]=4 60 B8R1.1 NCC1=CN=C(N)S1 W17785 [0,1,0,0,0,0|2,1,0]=4 61 B8R1.1 NCC1=COC(Cl)=N1 AT18560 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 NCC1=NC=C(Br)O1 86227 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 NCC1=NNC(=O)O1 AT18775 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 O=C1C=C(CBr)ON1 D73595 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 O=CC1=CC(F)=CS1 D74660 [0,1,0,0,0,0|1,1,1]=4 68 B8R1.1 O=CC1=CC=C(F)S1 87160 [0,1,0,0,0,0|1,1,1]=4 69 B8R1.1 OCC1=CC(F)=CS1 D74661 [0,1,0,0,0,0|1,1,0]=3 70 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.1 OCC1=CN=C(Br)N1 AT15349 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.1 OCC1=CNC(Cl)=N1 AT15346 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 OCC1=COC(Br)=C1 AT23870 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 OCC1=COC(Br)=N1 C71324 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 OCC1=NC(Br)=CN1 AT15326 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 OCC1=NNC(Br)=C1 D75509 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.7 CC(=O)C1=NC=NO1 A10624 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.7 C[C@H](N)C1=CC=NS1 AT21225 [0,1,0,0,0,0|1,1,0]=3 82 B8R1.7 C[C@H](N)C1=CN=CN1 F13260 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.7 C[C@H](N)C1=CN=CO1 AT18689 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.7 C[C@H](N)C1=CN=CO1 AT18691 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.7 C[C@H](N)C1=CNC=N1 C91192 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.7 C[C@H](N)C1=CNC=N1 C91193 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.7 C[C@H](N)C1=COC=C1 N16719 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.7 C[C@H](N)C1=COC=N1 AT12536 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.7 C[C@H](N)C1=CSC=C1 AT23262 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.7 C[C@H](N)C1=CSC=C1 AT23264 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.7 C[C@H](N)C1=CSN=C1 AT21218 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.7 C[C@H](N)C1=NNC=C1 32103 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.7 C[C@H](N)C1=NOC=C1 33764 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.7 C[C@H](O)C1=CC=NS1 AT21152 [0,1,0,0,0,0|1,1,0]=3 95 B8R1.7 C[C@H](O)C1=NOC=C1 AT21815 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.7 OB(O)C1=CN=CO1 D75573 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.7 OB(O)C1=NC=CO1 AT24593 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.8 BrCCN1C=CN=N1 AC2862 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.8 CNCC1=CC=NS1 AT21224 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.8 N#CCC1=CN=CO1 AC7425 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.8 NCCC1=CC=NO1 E73131 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.8 NCCC1=CN=CO1 AT18734 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.8 NCCC1=NC=CN1 AT24211 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.8 NCCC1=NN=CS1 P12515 [0,1,0,0,0,0|2,1,0]=4 105 B8R1.8 OCCN1N=CC=N1 N17009 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.11 BrCC1=C(Br)C=NS1 AT21098 [0,1,0,0,0,0|2,1,0]=4 107 B8R1.11 CC1=CON=C1CN 95087 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.11 CCC1=CON=C1N AT19778 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.11 CCC1=NOC=C1N AT19803 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.11 CCN1C=CN=C1N AT26762 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.11 CCN1N=CN=C1Cl A11405 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.11 CCN1N=NC=C1N E70135 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.11 COC1=C(Br)C=NO1 AT19729 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.11 COC1=NSC=C1Br AT11774 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.11 COC1=NSC=C1I AT11788 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.11 COC1=NSC=C1N AT11779 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.11 NC1=C(C=O)OC=C1 D74825 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.11 NCC1=C(Br)C=NS1 AT21091 [0,1,0,0,0,0|2,1,0]=4 119 B8R1.11 NCC1=C(Br)C=NS1 AT21097 [0,1,0,0,0,0|2,1,0]=4 120 B8R1.11 NCC1=NSC=C1Br D80073 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.11 O=CC1=C(Cl)C=CN1 P10927 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.11 O=CC1=C(Cl)C=CO1 AC2692 [0,1,0,0,0,0|1,0,1]=3 123 B8R1.11 O=CC1=C(F)C=CS1 D74567 [0,1,0,0,0,0|1,1,1]=4 124 B8R1.11 OCC1=C(Br)C=NS1 AT21093 [0,1,0,0,0,0|2,1,0]=4 125 B8R1.11 OCC1=C(Br)SC=N1 AT11862 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.11 OCC1=C(F)C=CS1 AT22758 [0,1,0,0,0,0|1,1,0]=3 127 B8R1.11 OCC1=NSC=C1Br AT21092 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 C=CC[C@H](O)CN AT10909 [0,0,1,0,0,0|1,0,2]=4 129 B6R0.1 C=CC[C@H](O)CN AT10910 [0,0,1,0,0,0|1,0,2]=4 130 B8R1.2 CCC1=NC=CC=N1 D86044 [0,0,0,0,0,1|1,0,0]=2 131 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [0,0,0,0,0,1|1,0,0]=2 132 B8R1.2 NCC1=CN=NC=C1 F10917 [0,0,0,0,0,1|3,0,0]=4 133 B8R1.2 OCC1=CCCOC1 AT26645 [0,0,0,0,0,1|1,0,2]=4 134 B8R1.2 OC[C@H]1CCC=CO1 AC9028 [0,0,0,0,0,1|1,0,2]=4 135 B5R0.2 CCOCC=O AT18655 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.1 NCCC\C=C\CO AT22200 [0,1,1,0,0,0|0,0,2]=4 137 B7R1.2 BrC1=COC(Br)=N1 AT18462 [1,1,0,0,0,0|2,0,0]=4 138 B7R1.2 CC1=CC=C(N)S1 32908 [1,1,0,0,0,0|0,1,0]=3 139 B7R1.2 CC1=CN(N)C=C1 AT24000 [1,1,0,0,0,0|2,0,0]=4 140 B7R1.2 CC1=CN=C(Br)O1 F20659 [1,1,0,0,0,0|1,0,0]=3 141 B7R1.2 CC1=CN=C(N)N1 28111 [1,1,0,0,0,0|2,0,0]=4 142 B7R1.2 CC1=COC(Cl)=N1 AT18557 [1,1,0,0,0,0|2,0,0]=4 143 B7R1.2 CC1=NOC(Br)=C1 AT19745 [1,1,0,0,0,0|2,0,0]=4 144 B7R1.2 CN1C=CC(S)=N1 AT15835 [1,1,0,0,0,0|2,0,0]=4 145 B7R1.2 NC1=CC(Br)=NO1 D72556 [1,1,0,0,0,0|2,0,0]=4 146 B7R1.2 NC1=CC(F)=CS1 AT16866 [1,1,0,0,0,0|1,1,0]=4 147 B7R1.2 NC1=CC=C(N)N1 F52185 [1,1,0,0,0,0|2,0,0]=4 148 B7R1.2 NC1=CSC(Br)=C1 P11848 [1,1,0,0,0,0|1,1,0]=4 149 B7R1.2 NC1=NC=C(Br)O1 D76175 [1,1,0,0,0,0|2,0,0]=4 150 B7R1.4 CC1=C(Br)N=CO1 AT18589 [1,1,0,0,0,0|1,0,0]=3 151 B7R1.4 CC1=C(Br)N=CO1 AT26832 [1,1,0,0,0,0|1,0,0]=3 152 B7R1.4 CC1=C(Br)OC=N1 AT18669 [1,1,0,0,0,0|2,0,0]=4 153 B7R1.4 CC1=C(Br)OC=N1 AT18693 [1,1,0,0,0,0|2,0,0]=4 154 B7R1.4 CC1=C(N)C=CS1 86771 [1,1,0,0,0,0|0,1,0]=3 155 B7R1.4 CC1=C(N)C=CS1 AT25979 [1,1,0,0,0,0|0,1,0]=3 156 B7R1.4 CC1=C(O)C=CS1 AT26691 [1,1,0,0,0,0|0,1,0]=3 157 B7R1.4 FC1=C(Br)SC=C1 AT16344 [1,1,0,0,0,0|1,1,0]=4 158 B7R1.4 NC1=C(Br)C=NO1 AT19727 [1,1,0,0,0,0|2,0,0]=4 159 B7R1.4 NC1=C(Br)SC=C1 AT14950 [1,1,0,0,0,0|1,1,0]=4 160 B9R1.1 CC1=CC=C(CN)N=N1 37065 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 CC1=NN=C(CCl)C=C1 F30432 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.1 CCC1=CC=C(N)N=N1 AT21731 [0,1,0,0,0,1|1,0,0]=3 164 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [0,1,0,0,0,1|1,0,0]=3 165 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,0,0,1|1,0,1]=4 166 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.1 ClCC1=CN=C(Cl)C=N1 87865 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.1 FC1=CN=C(CCl)N=C1 P11644 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.1 NC1=CN=C(CO)C=C1 D77165 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.1 NCC1=NNC(=O)C=C1 C77052 [0,1,0,0,0,1|2,0,0]=4 171 B9R1.2 BrCC1=NC=CC(Br)=C1 AT15450 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.2 CC1=CC(CBr)=NC=C1 AC9733 [0,1,0,0,0,1|2,0,0]=4 173 B9R1.2 CC1=CC(CCl)=NN=C1 F30453 [0,1,0,0,0,1|2,0,0]=4 174 B9R1.2 CC1=CN=CC(CN)=N1 C91463 [0,1,0,0,0,1|2,0,0]=4 175 B9R1.2 CC1=CN=NC(CN)=C1 F30454 [0,1,0,0,0,1|2,0,0]=4 176 B9R1.2 CCC1=CN=NC(N)=C1 S11510 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.2 COC1=NN=CC(N)=C1 AC8536 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.2 COC1=N[N+]([O-])=CC=C1 D74921 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.2 ClCC1=CC(Cl)=CN=C1 H10969 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.2 FC1=CC(CBr)=NC=C1 AC8274 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.2 NC1=CC=NC(CCl)=N1 AT18293 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.2 NCC1=CC=NC(N)=N1 AC7326 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.2 NCC1=CC=NC(N)=N1 AT21781 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.2 NCC1=NC(=O)NC=C1 P13759 [0,1,0,0,0,1|2,0,0]=4 185 B9R1.2 NCC1=NC=CC(Cl)=N1 P19988 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.2 NCC1=NC=CC(F)=C1 N13372 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 NCC1=NC=CC(O)=C1 79355 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 O=C1C=CN=C(CO)N1 AT21628 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 OCC1=NC=CC(Cl)=N1 AT21631 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [0,1,0,0,0,1|1,0,0]=3 197 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.8 CCNC1=CN=NC=C1 D86255 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.8 CCOC1=CN=CC=C1 F31361 [0,1,0,0,0,1|1,0,0]=3 200 B9R1.8 CNCC1=CN=NC=C1 P12145 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.8 ClCCC1=CN=CC=C1 D87792 [0,1,0,0,0,1|1,0,0]=3 202 B9R1.8 NNCC1=CC=CN=N1 P13290 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.8 NNCC1=NC=CC=N1 P11941 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.8 OCCC1=NC=NC=C1 20262 [0,1,0,0,0,1|1,0,0]=3 205 B9R1.8 SCCC1=CN=CC=C1 F18092 [0,1,0,0,0,1|1,0,0]=3 206 B9R1.8 [C-]#[N+]CC1=NC=CC=N1 AT23894 [0,1,0,0,0,1|1,0,1]=4 207 B9R1.8 [C-]#[N+]CC1=NC=NC=C1 AT23891 [0,1,0,0,0,1|1,0,1]=4 208 B9R1.15 CC1=C(CN)N=NC=C1 P13738 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.15 CC1=CC=NN=C1CCl F50901 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.15 CC1=CC=NN=C1CO F50171 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.15 CNC1=C(Br)C=CN=N1 79169 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.15 COC1=NN=CC=C1N D74369 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.15 NCC1=CC=CNC1=O D76881 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.15 NCC1=NC=CN=C1F C91950 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.7 CC1=NC=C(CCN)O1 AT18732 [0,2,0,0,0,0|1,0,0]=3 217 B9R1.7 CC1=NN=C(CCN)O1 AT18770 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.7 CC1=NN=C(CCO)O1 D77017 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.7 COCC1=CC(N)=NO1 AT19791 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.7 N#CCC1=CC=C(Cl)O1 AC9281 [0,2,0,0,0,0|0,0,1]=3 221 B9R1.7 NC1=NN(CCF)C=C1 AT13345 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.7 NCCC1=CC(O)=NO1 AT21056 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.7 OCCC1=CSC(Br)=N1 C11083 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.7 OCCC1=CSC(Cl)=C1 AT10864 [0,2,0,0,0,0|2,0,0]=4 225 B9R1.7 OCCN1C=C(F)C=N1 D83510 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.7 [C-]#[N+]CC1=CC=C(C)O1 AC9057 [0,2,0,0,0,0|0,0,1]=3 227 B9R1.21 COC1=NOC(CBr)=C1 AT19614 [0,2,0,0,0,0|2,0,0]=4 228 B9R1.21 COC1=NOC(CCl)=C1 AT19598 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.21 COC1=NOC(CN)=C1 AT19611 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.21 COC1=NOC(CN)=C1 AT21055 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.21 COC1=NOC(CS)=C1 AT19597 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,2,0,0,0,0|0,0,1]=3 233 B9R1.35 CC(C)C1=CN(C)C=N1 F30488 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.35 CC(C)C1=NN=C(Br)O1 AT16453 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.35 CC(C)C1=NOC(Br)=C1 AT19750 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.35 CC1=CC([C@H](C)O)=NO1 AT19829 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,2,0,0,0,0|0,0,0]=2 238 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,2,0,0,0,0|0,0,0]=2 239 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,2,0,0,0,0|0,0,0]=2 240 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,2,0,0,0,0|1,0,1]=4 241 B9R1.35 C[C@H](N)C1=CC(Br)=NO1 AT19713 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.35 C[C@H](N)C1=CC(O)=NO1 98122 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 E72737 [0,2,0,0,0,0|0,0,0]=2 244 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11514 [0,2,0,0,0,0|0,0,0]=2 245 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11522 [0,2,0,0,0,0|0,0,0]=2 246 B9R1.35 C[C@H](N)C1=CN(C)C=N1 AT22194 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.35 C[C@H](N)C1=CN(C)C=N1 AT22195 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.35 C[C@H](N)C1=CN(C)C=N1 E70100 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.35 C[C@H](N)C1=NN(C)C=C1 28567 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT13620 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT14359 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.35 C[C@H](N)C1=NN(C)C=C1 D74824 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.35 C[C@H](O)C1=CC(Br)=NO1 AT19716 [0,2,0,0,0,0|1,0,0]=3 254 B9R1.35 C[C@H](O)C1=CN(C)C=N1 P12387 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.35 C[C@H](O)C1=NN(C)C=C1 AT14456 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.35 OB(O)C1=CC=C(F)O1 AC8605 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.11 CC[C@H](N)C1=CNC=N1 F13131 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.11 N[C@@H](CO)C1=NC=CS1 N14687 [0,2,0,0,0,0|1,1,0]=4 259 B9R1.19 NS(=O)(=O)C1=CC=CO1 AT22943 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.41 CC(C)C1=C(Br)SC=C1 D76982 [0,2,0,0,0,0|2,0,0]=4 261 B9R1.41 C[C@H](N)C1=NC=CN1C AT22197 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.41 C[C@H](N)C1=NC=CN1C AT22198 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.12 C#CCNC1=NC=CO1 D75635 [0,2,0,0,0,0|1,0,1]=4 264 B9R1.12 NCCCC1=CN=CN1 97527 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.12 NCCCC1=CN=CN1 P16679 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.12 NCCOC1=NOC=C1 AT19570 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.13 CC(C)SC1=CN=CN1 79522 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.13 CN(C)CC1=CNC=N1 AC8576 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.33 CC1=C(CC#N)OC=N1 AC7475 [0,2,0,0,0,0|1,0,1]=4 270 B9R1.33 COCC1=C(Br)C=NS1 AT21095 [0,2,0,0,0,0|1,1,0]=4 271 B9R1.33 [C-]#[N+]CC1=CC=CN1C AT23899 [0,2,0,0,0,0|1,0,1]=4 272 B9R1.14 CCC1=C(C=O)C=NO1 AT19895 [0,2,0,0,0,0|1,0,0]=3 273 B9R2.3 C1=CC2=C(CNC2)S1 84336 [0,1,0,1,0,0|0,1,0]=3 274 B9R2.3 C1=CC2=C(CSC2)S1 AC6782 [0,1,0,1,0,0|0,1,0]=3