0 B7R1.4 BrC1=C(Br)NC=N1 W18398 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 BrC1=C(I)SC=C1 C75822 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 BrC1=NNC=C1I 39127 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 CC1=C(Br)C=NO1 F19689 [0,0,0,0,0,0|3,1,0]=4 4 B7R1.4 CC1=C(C)NC=C1 F20873 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.4 CC1=C(C)NC=N1 SC3541 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.4 CC1=C(Cl)NC=N1 P16604 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 CC1=C(N)C=NO1 D82481 [0,0,0,0,0,0|3,1,0]=4 8 B7R1.4 CC1=C(N)N=CN1 31730 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.4 CC1=C(N)ON=C1 C74807 [0,0,0,0,0,0|3,1,0]=4 10 B7R1.4 CC1=C(N)SC=N1 P18586 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.4 CC1=CCOC1=O T72100 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.4 CC1=CNN=C1N 52526 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 CC1=CON=C1N 72247 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 CC1=CSC=C1N P10841 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.4 CC1=NOC=C1N O11036 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=NON=C1N F14552 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 CC1=NSC=C1Br 20343 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CC1=NSC=C1N 75880 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CN1C=CN=C1I 23828 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CN1C=CNC1=O F12570 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.4 CN1C=NN=C1N D94510 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 CN1C=NN=C1N O11264 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 CN1CCN=C1N W16176 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.4 CN1N=NC=C1Br 98645 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 CN1N=NC=C1I 72387 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.4 CN1N=NC=C1N 31834 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.4 FC1=CNN=C1Br P18733 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 NC1=CNN=C1Br C72502 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 NC1=CNN=C1Cl F14377 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.4 NC1=NNC=C1Cl F17330 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 BrC1=CNN=N1 72040 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 BrC1=NNN=C1 D83972 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,0,0|1,0,1]=3 36 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,0,0|1,0,1]=3 37 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,0,0|2,0,0]=3 38 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,0,0|2,0,0]=3 39 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,0,0|1,1,0]=3 40 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 CN1C=NN=C1 74688 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 ClC1=CN=NS1 F18162 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 ClC1=NN=CS1 F20631 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 FC1=CN=CN1 71921 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 FC1=CNN=C1 89373 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 NC1=CN=CS1 52083 [1,0,0,0,0,0|1,0,0]=2 53 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,0,0|2,0,1]=4 54 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 NC1=CON=C1 F14139 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 NC1=CSN=C1 83206 [1,0,0,0,0,0|3,0,0]=4 59 B6R1.2 NC1=CSN=C1 85313 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 NN1C=CN=C1 C76661 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 NN1C=CN=C1 Y10352 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 OC1=CNN=C1 76131 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 OC1=NC=NN1 D82632 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.11 C=CC1=NC=CN1C D84862 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.11 CC1=C(C#N)N=CN1 AC2082 [0,1,0,0,0,0|1,0,1]=3 70 B8R1.11 CC1=C(C#N)OC=N1 79144 [0,1,0,0,0,0|0,1,1]=3 71 B8R1.11 CC1=C(C=O)N=CS1 F12255 [0,1,0,0,0,0|0,0,1]=2 72 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [0,1,0,0,0,0|0,1,1]=3 73 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [0,1,0,0,0,0|0,1,0]=2 74 B8R1.11 CC1=C(CO)C=CO1 30727 [0,1,0,0,0,0|1,1,0]=3 75 B8R1.11 CC1=C(CO)C=NO1 72237 [0,1,0,0,0,0|2,1,0]=4 76 B8R1.11 CC1=C(CO)N=CO1 AT18595 [0,1,0,0,0,0|0,1,0]=2 77 B8R1.11 CC1=C(CO)N=NS1 73069 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.11 CC1=C(CO)NN=C1 F52703 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.11 CC1=CNN=C1CN P17767 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.11 CC1=CON=C1C=O W10337 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.11 CC1=CON=C1CN AT25740 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.11 CC1=CSC=C1CO 57803 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.11 CC1=NOC=C1CN 72854 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.11 CC1=NOC=C1CN N10525 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.11 CC1=NON=C1CN 70844 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.11 CC1=NSC=C1C#N 86911 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.11 CCC1=C(C)N=CS1 60935 [0,1,0,0,0,0|0,0,0]=1 88 B8R1.11 CCC1=CNN=C1C AC8755 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.11 CCC1=NNC=C1Br 98406 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.11 CCN1C=CN=C1Br AT15593 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.11 CN1C=CC=C1CN 88916 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.11 CN1C=CC=C1CO D82110 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 CN1C=CN=C1C#N 38081 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.11 CN1N=CC=C1C#N 71861 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.11 CN1N=CC=C1CCl 31784 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.11 CN1N=CC=C1CN AC1023 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.11 CN1N=CN=C1C=O 97733 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.11 CN1N=CN=C1CCl D93361 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.11 CN1N=NN=C1CO AC1024 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.11 COC1=NNC=C1I F16206 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.11 COC1=NON=C1N F20171 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.11 ClC1=C(CBr)C=CS1 24714 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.11 N#CC1=C(F)C=CS1 D76349 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.11 N#CC1=C(N)C=CS1 50755 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.11 NC1=C(CO)SC=C1 70866 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.11 NCC1=C(Cl)C=CS1 38405 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.11 O=CC1=C(Br)N=CS1 88252 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.11 O=CC1=C(Br)NC=N1 C75380 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.11 O=CC1=C(Br)SC=C1 57105 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.11 O=CC1=C(I)SC=C1 C73596 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.11 OCC1=C(Br)N=CS1 26511 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.18 CC1=C(Br)N=C(Br)S1 31991 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.18 CC1=C(Br)N=C(N)S1 F30514 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.18 CC1=C(Br)SC(Br)=N1 F10450 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [0,1,0,0,0,0|0,1,0]=2 119 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.18 CC1=CN(C)N=C1Br P19396 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.18 CC1=CN(C)N=C1I C72577 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.18 CC1=CN(C)N=C1N 51246 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.18 CC1=CN(C)N=C1N 98162 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.18 CC1=NC(I)=CN1C F51115 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.18 CC1=NN(C)C=C1Cl 57531 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.18 CC1=NN(C)C=C1I C76091 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.18 CC1=NN(C)C=C1O F30460 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.18 CC1=NN(C)N=C1Br O11170 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.18 CN1N=C(Br)C=C1N 70424 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.18 CN1N=C(Cl)C=C1N P17458 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.18 CN1N=C(N)C=C1Cl 80392 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.18 ClC1=C(Cl)SC(Br)=C1 36537 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.18 ClC1=C(I)SC(I)=C1 P18217 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.50 BrC1=CSC(Br)=C1Br CS1035 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.50 CC1=C(Br)N(C)C=N1 72894 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.50 CC1=C(Br)N(C)N=C1 P13239 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.50 CC1=C(C)N(C)C=N1 F18314 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.50 CC1=C(I)N(C)N=N1 F20256 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.50 CC1=C(N)N=CN1C 32547 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.50 CC1=NN=C(S)N1C W17011 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.50 CC1=NNC(C)=C1N 51248 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.50 CC1=NNC(Cl)=C1N P12022 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.50 CC1=NNC(O)=C1C S10439 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.50 CN1C=NC(I)=C1I C15691 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.50 CN1N=CC(Br)=C1Br Y11325 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.50 CN1N=CC(Cl)=C1N C71227 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.50 CN1N=CC(N)=C1N W11478 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.4 BrC1=NC=CC(I)=N1 81854 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,0,0,0,0,1|2,0,1]=4 161 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,0,0,0,0,1|2,0,0]=3 162 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,0,0,0,0,1|2,0,0]=3 165 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,0,0,0,0,1|2,0,0]=3 166 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 IC1=CC(I)=NC=N1 N10410 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 NC1=CC(I)=NC=N1 27194 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.4 NC1=CC(N)=NC=C1 25421 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 NC1=CC=NC(F)=N1 90479 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.4 O=C1N=CNC(=O)N1 F12722 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [0,0,0,0,0,1|2,0,0]=3 180 B8R1.5 CC1=C(F)C=CN=C1 F19730 [0,0,0,0,0,1|2,0,0]=3 181 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,0,0,0,0,1|2,0,0]=3 182 B8R1.5 CC1=C(I)C=NC=C1 C74973 [0,0,0,0,0,1|2,0,0]=3 183 B8R1.5 CC1=C(I)C=NC=N1 27820 [0,0,0,0,0,1|2,0,0]=3 184 B8R1.5 CC1=CC=NN=C1Br N13316 [0,0,0,0,0,1|2,0,0]=3 185 B8R1.5 CC1=CC=NN=C1Cl 38744 [0,0,0,0,0,1|2,0,0]=3 186 B8R1.5 CC1=CN=CN=C1Br 27819 [0,0,0,0,0,1|2,0,0]=3 187 B8R1.5 CC1=CN=CN=C1O 25833 [0,0,0,0,0,1|2,0,0]=3 188 B8R1.5 CC1=NC=CN=C1Br 26975 [0,0,0,0,0,1|2,0,0]=3 189 B8R1.5 CC1=NC=NC=C1N 25415 [0,0,0,0,0,1|2,0,0]=3 190 B8R1.5 CC1=NCCN=C1C N13379 [0,0,0,0,0,1|1,0,1]=3 191 B8R1.5 CC1=NNC=NC1=O D79535 [0,0,0,0,0,1|2,0,0]=3 192 B8R1.5 ClC1=CC=CN=C1I 68801 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.5 ClC1=CC=NN=C1Cl 27407 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.5 ClC1=CN=CN=C1Cl 25142 [0,0,0,0,0,1|3,0,0]=4 195 B8R1.5 ClC1=NC=CN=C1Br C71707 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.5 ClC1=NC=CN=C1I AC1564 [0,0,0,0,0,1|3,0,0]=4 197 B8R1.5 FC1=CN=CN=C1Br 77431 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.5 FC1=NC=CN=C1Br W17938 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.5 NC1=C(O)C=CN=N1 D83804 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.5 NC1=CC=CN=C1I RB1070 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.5 NC1=CC=NN=C1Cl 27714 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.5 NC1=CN=CN=C1I C10176 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.5 NC1=CN=CN=C1N 65496 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.5 NC1=NC=CN=C1Br 27472 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.5 NC1=NC=CN=C1I 27241 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.5 O=C1NC=NC=C1O 25860 [0,0,0,0,0,1|3,0,0]=4 209 B8R1.5 O=C1NC=NC=C1O C73082 [0,0,0,0,0,1|3,0,0]=4 210 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [0,0,0,0,0,1|3,0,0]=4 211 B8R1.5 OC1=C(I)C=CN=C1 25190 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.5 OC1=C(I)C=NC=N1 25919 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.5 OC1=C(O)C=NC=C1 C14003 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.5 OC1=NC=CN=C1Br A11981 [0,0,0,0,0,1|3,0,0]=4 215 B8R1.5 OC1=NC=CN=C1O C74124 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [0,0,0,0,0,1|3,0,0]=4 217 B5R1.1 C1=C[Se]C=C1 A12389 [2,0,0,0,0,0|1,1,0]=4 218 B7R1.1 BrCC1=CC=NO1 33595 [1,1,0,0,0,0|2,0,0]=4 219 B7R1.1 BrCC1=CN=CO1 92893 [1,1,0,0,0,0|0,1,0]=3 220 B7R1.1 BrCC1=COC=N1 70925 [1,1,0,0,0,0|0,1,0]=3 221 B7R1.1 BrCC1=CON=C1 95088 [1,1,0,0,0,0|2,0,0]=4 222 B7R1.1 BrCC1=CSC=N1 73558 [1,1,0,0,0,0|0,0,0]=2 223 B7R1.1 BrCC1=NC=CO1 92941 [1,1,0,0,0,0|2,0,0]=4 224 B7R1.1 BrCC1=NC=CS1 73557 [1,1,0,0,0,0|2,0,0]=4 225 B7R1.1 BrCC1=NOC=C1 71749 [1,1,0,0,0,0|2,0,0]=4 226 B7R1.1 C=CC1=CC=CS1 C10114 [1,1,0,0,0,0|1,0,1]=4 227 B7R1.1 C=CC1=CN=CN1 D82417 [1,1,0,0,0,0|1,0,1]=4 228 B7R1.1 CCC1=CNN=C1 72604 [1,1,0,0,0,0|2,0,0]=4 229 B7R1.1 CCC1=NN=CO1 C10407 [1,1,0,0,0,0|1,1,0]=4 230 B7R1.1 CCN1C=NC=N1 29522 [1,1,0,0,0,0|2,0,0]=4 231 B7R1.1 CNC1=NC=CO1 71780 [1,1,0,0,0,0|2,0,0]=4 232 B7R1.1 CNC1=NC=CS1 26158 [1,1,0,0,0,0|2,0,0]=4 233 B7R1.1 CNC1=NNC=C1 72540 [1,1,0,0,0,0|2,0,0]=4 234 B7R1.1 CNC1=NOC=C1 72015 [1,1,0,0,0,0|2,0,0]=4 235 B7R1.1 CNC1=NOC=C1 72539 [1,1,0,0,0,0|2,0,0]=4 236 B7R1.1 COC1=CNN=C1 79311 [1,1,0,0,0,0|2,0,0]=4 237 B7R1.1 COC1=NNC=C1 D79536 [1,1,0,0,0,0|2,0,0]=4 238 B7R1.1 CSC1=CN=CN1 W17049 [1,1,0,0,0,0|1,0,0]=3 239 B7R1.1 CSC1=CNN=C1 W10958 [1,1,0,0,0,0|2,0,0]=4 240 B7R1.1 CSC1=NC=CN1 AC1458 [1,1,0,0,0,0|2,0,0]=4 241 B7R1.1 CSC1=NC=CO1 O10533 [1,1,0,0,0,0|2,0,0]=4 242 B7R1.1 ClCC1=CC=CS1 79790 [1,1,0,0,0,0|1,0,0]=3 243 B7R1.1 ClCC1=CC=NO1 33348 [1,1,0,0,0,0|2,0,0]=4 244 B7R1.1 ClCC1=CN=CO1 RB3366 [1,1,0,0,0,0|0,1,0]=3 245 B7R1.1 ClCC1=COC=N1 D97597 [1,1,0,0,0,0|0,1,0]=3 246 B7R1.1 ClCC1=NC=CS1 BL005472 [1,1,0,0,0,0|2,0,0]=4 247 B7R1.1 ClCC1=NOC=C1 F13567 [1,1,0,0,0,0|2,0,0]=4 248 B7R1.1 N#CC1=COC=N1 28409 [1,1,0,0,0,0|0,1,1]=4 249 B7R1.1 NCC1=CC=CN1 25931 [1,1,0,0,0,0|1,0,1]=4 250 B7R1.1 NCC1=CC=NO1 33343 [1,1,0,0,0,0|2,0,0]=4 251 B7R1.1 NCC1=CC=NO1 33364 [1,1,0,0,0,0|2,0,0]=4 252 B7R1.1 NCC1=CN=CS1 24148 [1,1,0,0,0,0|0,0,0]=2 253 B7R1.1 NCC1=CNC=C1 F12967 [1,1,0,0,0,0|1,0,1]=4 254 B7R1.1 NCC1=CNC=N1 26566 [1,1,0,0,0,0|1,0,0]=3 255 B7R1.1 NCC1=CNN=C1 37585 [1,1,0,0,0,0|2,0,0]=4 256 B7R1.1 NCC1=CNN=C1 37586 [1,1,0,0,0,0|2,0,0]=4 257 B7R1.1 NCC1=CNN=N1 20253 [1,1,0,0,0,0|2,0,0]=4 258 B7R1.1 NCC1=CNN=N1 D77245 [1,1,0,0,0,0|2,0,0]=4 259 B7R1.1 NCC1=COC=N1 25090 [1,1,0,0,0,0|0,1,0]=3 260 B7R1.1 NCC1=CON=C1 55763 [1,1,0,0,0,0|2,0,0]=4 261 B7R1.1 NCC1=CSC=N1 24147 [1,1,0,0,0,0|0,0,0]=2 262 B7R1.1 NCC1=CSC=N1 Y14444 [1,1,0,0,0,0|0,0,0]=2 263 B7R1.1 NCC1=NC=CN1 C72548 [1,1,0,0,0,0|2,0,0]=4 264 B7R1.1 NCC1=NN=CO1 S11004 [1,1,0,0,0,0|1,1,0]=4 265 B7R1.1 NCC1=NNC=C1 36190 [1,1,0,0,0,0|2,0,0]=4 266 B7R1.1 NCC1=NNC=N1 AC1019 [1,1,0,0,0,0|2,0,0]=4 267 B7R1.1 NCC1=NOC=C1 W10075 [1,1,0,0,0,0|2,0,0]=4 268 B7R1.1 NCC1=NOC=N1 72520 [1,1,0,0,0,0|1,1,0]=4 269 B7R1.1 O=CC1=CN=CO1 39069 [1,1,0,0,0,0|0,1,1]=4 270 B7R1.1 OCC1=CC=NO1 33580 [1,1,0,0,0,0|2,0,0]=4 271 B7R1.1 OCC1=CC=NS1 53001 [1,1,0,0,0,0|2,0,0]=4 272 B7R1.1 OCC1=CON=C1 73633 [1,1,0,0,0,0|2,0,0]=4 273 B7R1.1 OCC1=CSN=C1 83209 [1,1,0,0,0,0|2,0,0]=4 274 B7R1.1 OCC1=NNC=N1 83468 [1,1,0,0,0,0|2,0,0]=4 275 B7R1.1 OCC1=NNC=N1 F53081 [1,1,0,0,0,0|2,0,0]=4 276 B7R1.1 OCN1C=CN=C1 F11598 [1,1,0,0,0,0|2,0,0]=4 277 B7R1.2 BrC1=NN=C(Br)S1 68031 [1,1,0,0,0,0|2,0,0]=4 278 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,1,0,0,0,0|1,1,0]=4 279 B7R1.2 CC1=CN(C)C=N1 11615 [1,1,0,0,0,0|1,0,0]=3 280 B7R1.2 CC1=CN(C)N=N1 O10352 [1,1,0,0,0,0|2,0,0]=4 281 B7R1.2 CC1=CN=C(N)O1 80158 [1,1,0,0,0,0|0,1,0]=3 282 B7R1.2 CC1=CN=C(N)S1 C13827 [1,1,0,0,0,0|0,0,0]=2 283 B7R1.2 CC1=CNC(=O)N1 O11257 [1,1,0,0,0,0|1,0,1]=4 284 B7R1.2 CC1=CNC(=O)S1 C90545 [1,1,0,0,0,0|0,0,1]=3 285 B7R1.2 CC1=COC(Br)=N1 S10976 [1,1,0,0,0,0|0,1,0]=3 286 B7R1.2 CC1=COC(S)=N1 W16843 [1,1,0,0,0,0|0,1,0]=3 287 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,1,0,0,0,0|1,0,0]=3 288 B7R1.2 CC1=CSC(C)=C1 O10605 [1,1,0,0,0,0|1,0,0]=3 289 B7R1.2 CC1=CSC(I)=N1 W17362 [1,1,0,0,0,0|0,0,0]=2 290 B7R1.2 CC1=NC(=O)NN1 79696 [1,1,0,0,0,0|2,0,0]=4 291 B7R1.2 CC1=NC(N)=NS1 AT11903 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.2 CC1=NC=C(Br)S1 29668 [1,1,0,0,0,0|1,0,0]=3 293 B7R1.2 CC1=NC=C(N)S1 80222 [1,1,0,0,0,0|1,0,0]=3 294 B7R1.2 CC1=NN=C(C)C1 N10051 [1,1,0,0,0,0|2,0,0]=4 295 B7R1.2 CC1=NN=C(N)C1 D88133 [1,1,0,0,0,0|2,0,0]=4 296 B7R1.2 CC1=NN=C(N)O1 71460 [1,1,0,0,0,0|1,1,0]=4 297 B7R1.2 CC1=NN=C(S)O1 F19936 [1,1,0,0,0,0|1,1,0]=4 298 B7R1.2 CC1=NOC(N)=N1 AT13650 [1,1,0,0,0,0|1,1,0]=4 299 B7R1.2 CC1=NOC(O)=N1 C90490 [1,1,0,0,0,0|1,1,0]=4 300 B7R1.2 CC1=NSC(Br)=N1 80337 [1,1,0,0,0,0|1,0,0]=3 301 B7R1.2 CN1C=C(O)C=N1 W16286 [1,1,0,0,0,0|2,0,0]=4 302 B7R1.2 CN1C=N[N+](C)=C1 T70137 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.2 C[N+]1=CN(N)C=N1 32048 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.2 ClC1=CSC(Br)=N1 I11405 [1,1,0,0,0,0|1,0,0]=3 306 B7R1.2 ClC1=NN=C(Cl)S1 AT18999 [1,1,0,0,0,0|2,0,0]=4 307 B7R1.2 NC1=CN=C(Br)S1 I11438 [1,1,0,0,0,0|1,0,0]=3 308 B7R1.2 NC1=NC(Br)=NS1 C13674 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.2 NC1=NC(Cl)=CS1 F13356 [1,1,0,0,0,0|1,0,0]=3 310 B7R1.2 NC1=NC=C(F)S1 39196 [1,1,0,0,0,0|1,0,0]=3 311 B7R1.2 NC1=NN=C(N)S1 F10459 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.2 OC1=NC(Br)=CS1 C71316 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,0,0,1|1,0,0]=3 315 B9R1.2 CC1=CC(CCl)=NC=N1 F30459 [0,1,0,0,0,1|1,0,0]=3 316 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,0,0,1|1,0,0]=3 317 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,0,0,1|1,0,0]=3 318 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,1,0,0,0,1|1,0,0]=3 319 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,1,0,0,0,1|2,0,0]=4 320 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,0,0,1|2,0,0]=4 322 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,1,0,0,0,1|1,0,1]=4 323 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,1,0,0,0,1|1,0,0]=3 324 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,1,0,0,0,1|1,0,0]=3 325 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,1,0,0,0,1|1,0,0]=3 326 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,1,0,0,0,1|1,0,0]=3 327 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,0,0,1|2,0,0]=4 331 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.2 CNC1=NC=CC(N)=C1 27435 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.2 COC1=CC(F)=NC=N1 D83389 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,1,0,0,0,1|1,0,0]=3 341 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,1,0,0,0,1|1,0,0]=3 342 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.2 COC1=NC=CC(Br)=N1 25350 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.2 COC1=NC=NC(C)=C1 H10028 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.2 COC1=NC=NC(Cl)=N1 C71416 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.3 CC1=C(C)C(Br)=NC=C1 N10835 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.3 CC1=C(C)C(Cl)=NC=N1 H10268 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.3 CC1=C(C)C(N)=NC=C1 Y10702 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.3 CC1=C(C)C(N)=NC=N1 C75559 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 C76922 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.3 CC1=C(N)C(Cl)=NC=N1 C77000 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.3 CC1=C(O)C(Br)=NC=C1 C71875 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.3 CC1=C(O)C(Cl)=NC=C1 36409 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.3 CC1=CC=NC(C)=C1Br C10200 [0,1,0,0,0,1|1,0,0]=3 375 B9R1.3 CC1=CC=NC(N)=C1F 22700 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.3 CC1=NC=CC(Br)=C1Cl AC1900 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.3 CC1=NC=CC(Br)=C1F O11181 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.3 CC1=NC=CC(Br)=C1F S12180 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.3 CC1=NC=CC(Br)=C1N F15057 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.3 CC1=NC=CC(Cl)=C1F C71651 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.3 CC1=NC=CC(N)=C1N 26933 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.3 CC1=NC=CC(O)=C1C 89362 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.3 CC1=NC=NC(C)=C1N 26497 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.3 CC1=NC=NC(C)=C1O F21170 [0,1,0,0,0,1|1,0,0]=3 385 B9R1.3 CC1=NC=NC(Cl)=C1I 35506 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.3 CC1=NC=NC(N)=C1Cl C72213 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.3 CC1=NC=NC(O)=C1Br 85510 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.34 CC1=CC(Br)=NC(C)=N1 D78127 [0,1,0,0,0,1|1,0,0]=3 393 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.34 CC1=CC(C)=NC(Br)=N1 C73243 [0,1,0,0,0,1|1,0,0]=3 395 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.34 CC1=CC(Cl)=NC(N)=C1 25901 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.34 CC1=CC(Cl)=NC(O)=C1 D83290 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.34 CC1=NC(C)=NC(C)=N1 A12862 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.34 CC1=NC(Cl)=CC(=O)N1 91471 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.34 CC1=NC(Cl)=NC(Cl)=N1 21061 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.34 CC1=NC(Cl)=NC(N)=N1 W11895 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.34 CC1=NC(Cl)=NC(O)=C1 AC7967 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.34 CC1=NC(N)=CC(I)=N1 25934 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.34 CC1=NC(N)=CC(N)=N1 32831 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.34 CC1=NC(O)=NC(N)=N1 25789 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.69 CC1=C(Br)C=NC(Br)=N1 C10140 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.69 CC1=C(C)N=C(Cl)N=C1 P17845 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.69 CC1=C(Cl)C=NC(Cl)=N1 27156 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.69 CC1=C(Cl)C=NC(I)=N1 D94466 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.69 CC1=C(Cl)C=NC(N)=N1 P11958 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C76951 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.69 CC1=C(F)C=NC(Br)=N1 D97342 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.69 CC1=C(F)C=NC(Cl)=N1 27377 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.69 CC1=C(I)C=NC(Br)=C1 I10152 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.69 CC1=C(I)C=NC(F)=C1 22752 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.69 CC1=C(N)C=NC(Cl)=N1 80814 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.69 CC1=C(O)C=NC(Cl)=N1 P14645 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.69 CC1=CC(Br)=C(Br)C=N1 A51123 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.69 CC1=CC(Br)=C(C)C=N1 N13082 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17115 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17937 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.69 CC1=CC(Br)=C(F)C=N1 C71771 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.69 CC1=CC(Br)=C(O)C=N1 53715 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.69 CC1=CC(C)=C(Br)C=N1 W18180 [0,1,0,0,0,1|1,0,0]=3 426 B9R1.69 CC1=CC(C)=NN=C1Cl 37531 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.69 CC1=CC(C)=NNC1=O P10153 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 39191 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.69 CC1=CC(Cl)=C(C)C=N1 O11204 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.69 CC1=CC(Cl)=C(F)C=N1 P20444 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.69 CC1=CC(Cl)=C(N)C=N1 F52035 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.69 CC1=CC(N)=C(Br)C=N1 24320 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.69 CC1=CC(N)=C(Cl)C=N1 AC2062 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.69 CC1=CC(N)=C(F)C=N1 31394 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.69 CC1=CC(N)=C(I)C=N1 C76714 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.69 CC1=CN=C(C)C=C1N W13730 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.69 CC1=CN=C(C)N=C1Cl C16332 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.69 CC1=CN=C(C)N=C1N 32026 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.69 CC1=CN=C(N)C=C1C F18079 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 P11032 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.69 CC1=NC(N)=C(Br)C=N1 C74246 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C75179 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.69 CC1=NC(N)=C(F)C=N1 C72634 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.15 C#CC1=NC=CN=C1C 79091 [0,1,0,0,0,1|1,0,1]=4 453 B9R1.15 C=CC1=CC=CN=C1C P11579 [0,1,0,0,0,1|1,0,1]=4 454 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [0,1,0,0,0,1|1,0,1]=4 455 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [0,1,0,0,0,1|1,0,1]=4 456 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,1,0,0,0,1|1,0,0]=3 457 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.15 CC1=C(CCl)C=NC=N1 F31172 [0,1,0,0,0,1|1,0,0]=3 460 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.15 CC1=C(NN)C=CN=C1 F15970 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.15 CC1=CC=CN=C1CN C72913 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.15 CC1=NC=CC=C1CN 72802 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.15 CC1=NC=CN=C1C=O 30985 [0,1,0,0,0,1|1,0,1]=4 466 B9R1.15 CC1=NC=CN=C1CCl P11784 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.15 CC1=NC=CN=C1CN E70300 [0,1,0,0,0,1|1,0,0]=3 468 B9R1.15 CC1=NC=CN=C1CN P19746 [0,1,0,0,0,1|1,0,0]=3 469 B9R1.15 CC1=NC=CN=C1CO P10784 [0,1,0,0,0,1|1,0,0]=3 470 B9R1.15 CC1=NC=CN=C1NN BL010270 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.15 CCC1=CC=CN=C1N 55791 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.15 CCC1=CC=NN=C1Cl S11385 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.15 CCC1=CC=NNC1=O S11452 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.15 CNC1=C(Br)C=NC=N1 27470 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.15 CNC1=CC=CN=C1N 94808 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.15 CNC1=NC=CC=C1N 72351 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.15 CNC1=NC=CN=C1N 25161 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.15 COC1=C(Br)C=CN=C1 26564 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.15 COC1=C(I)C=CN=C1 D82954 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.15 COC1=C(I)C=NC=N1 C74109 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.15 COC1=C(N)C=CN=C1 35474 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.15 COC1=C(O)C=NC=C1 79066 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.15 COC1=CNC=NC1=O H10327 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.15 COC1=NC=CC=C1C C73664 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.15 COC1=NC=CN=C1Br 27717 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 COC1=NC=NC=C1N 24306 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 COC1=NC=NC=C1N 36696 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 NC1=CC=CN=C1CO H10562 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.15 NCC1=C(F)C=NC=C1 26837 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.15 NCC1=C(F)C=NC=C1 78901 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.15 NCC1=CC=CN=C1N 89358 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.15 NCC1=CC=CN=C1O 55767 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.15 NCC1=NC=CN=C1N AB3037 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.15 NCC1=NN=CNC1=O 89484 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.15 OCC1=NC=CN=C1Cl 80497 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.14 OCC1=C(CO)SC=C1 W18906 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.22 CC1=C(C#N)N=C(Cl)S1 O10741 [0,2,0,0,0,0|0,0,1]=3 538 B9R1.22 CC1=C(C=O)N=C(Br)O1 D97290 [0,2,0,0,0,0|0,1,1]=4 539 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [0,2,0,0,0,0|0,0,1]=3 540 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [0,2,0,0,0,0|0,0,1]=3 541 B9R1.22 CC1=C(CBr)OC(=O)O1 78356 [0,2,0,0,0,0|1,1,0]=4 542 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,2,0,0,0,0|1,0,0]=3 543 B9R1.22 CC1=NC(C#N)=C(N)S1 98038 [0,2,0,0,0,0|1,0,1]=4 544 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,2,0,0,0,0|0,0,0]=2 545 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,2,0,0,0,0|0,0,0]=2 546 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,2,0,0,0,0|0,1,0]=3 548 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.22 CSC1=CC(N)=NN1C W11026 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.22 ClC1=C(CBr)C=C(Br)S1 A10744 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.22 N#CC1=C(Br)SC(N)=N1 80796 [0,2,0,0,0,0|1,0,1]=4 554 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 24595 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.22 N#CC1=C(Cl)SC(Cl)=N1 C14523 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.22 OCC1=C(Br)N=C(Br)S1 35934 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.27 CC1=C(C=O)N(C)C=N1 C15686 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.27 CC1=C(CO)N(C)N=C1 F30434 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.27 CCC1=C(Br)C=NN1C P19807 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.33 CC1=C(CCCl)SC=N1 30040 [0,2,0,0,0,0|0,0,0]=2 561 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,2,0,0,0,0|0,0,0]=2 562 B9R1.33 CC1=C(CCO)N=CS1 C74944 [0,2,0,0,0,0|0,0,0]=2 563 B9R1.33 CC1=C(CCO)SC=N1 D77790 [0,2,0,0,0,0|0,0,0]=2 564 B9R1.33 CN1C=CN=C1CCCl D79294 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.33 CN1C=CN=C1CNN 72909 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.33 CN1N=CC=C1CC#N 79645 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.33 CNCC1=CC=NN1C AT14309 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,2,0,0,0,0|0,0,0]=2 569 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.41 CC1=C(C(=O)O)N=NS1 71555 [0,2,0,0,0,0|1,0,1]=4 571 B9R1.41 CC1=NNC=C1[C@H](C)O 72728 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,2,0,0,0,0|1,0,1]=4 573 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,2,0,0,0,0|1,0,1]=4 574 B9R1.41 O=[N+]([O-])C1=C(Br)N=CS1 92247 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.41 O=[N+]([O-])C1=C(Br)SC=N1 92251 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.132 CC1=C(C#N)C=NN1C 79545 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.132 CC1=C(C=O)N=CN1C 25051 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.132 CC1=NC=C(C=O)N1C C15385 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.132 CCN1N=CC(N)=C1C D79758 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.132 CN1C(Cl)=CN=C1CO C74718 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,2,0,0,0,0|0,0,0]=2 583 B9R1.23 CC1=CC(C#N)=NN1C F20638 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.23 CC1=CC(CCl)=NN1C 38503 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.37 CC1=C(Br)C(Br)=C(C)S1 W10472 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.37 CC1=C(C)C(I)=C(C)S1 32779 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.37 CC1=NN(C)C(C)=C1O F50510 [0,2,0,0,0,0|2,0,0]=4 589 B9R2.3 C1=NC2=C(CNC2)S1 50602 [0,1,0,1,0,0|0,0,0]=2 590 B9R2.3 C1=NN2CCCC2=C1 O11325 [0,1,0,1,0,0|2,0,0]=4 591 B9R2.3 C1=NN2CCCC2=N1 F30286 [0,1,0,1,0,0|2,0,0]=4 592 B9R2.3 C1=NN2CCNC2=C1 W18662 [0,1,0,1,0,0|2,0,0]=4