0 B7R1.1 BrCC1=CC=CS1 MC111260 [0,0,0,0,0,0|1,1,0]=2 1 B7R1.1 BrCC1=CC=NO1 MC114075 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.1 BrCC1=COC=C1 MC111404 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 BrCC1=NC=CO1 MC106296 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 BrCC1=NC=CS1 CS12090 [0,0,0,0,0,0|2,1,0]=3 5 B7R1.1 Br[Zn]c1cccs1 MC121347 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.1 Br[Zn]c1nccs1 MC121340 [0,0,0,0,0,0|3,1,0]=4 7 B7R1.1 CCC1=NC=CN1 CS21533 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCN1C=CC=N1 CS20681 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 CNC1=NC=CS1 CS12598 [0,0,0,0,0,0|3,1,0]=4 10 B7R1.1 COC1=CSC=C1 CS22351 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 COC1=NC=CS1 CS22597 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.1 CSC1=NC=CO1 CS17723 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 ClCC1=CC=CO1 CS13429 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.1 ClCC1=CN=CO1 MC105780 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.1 ClCC1=CN=CO1 MC114644 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.1 ClCC1=CN=CS1 CS16156 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.1 ClCC1=COC=N1 MC113786 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 ClCC1=NC=CN1 CS20896 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 ClCC1=NC=NN1 MC116571 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 ClCC1=NNC=C1 MC442276 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 I[Zn]c1ccsc1 MC116065 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 N#CC1=CC=CS1 CS22701 [0,0,0,0,0,0|1,1,1]=3 23 B7R1.1 N#CC1=CC=NO1 CS17495 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.1 N#CC1=CN=CS1 CS12489 [0,0,0,0,0,0|2,1,1]=4 25 B7R1.1 N#CC1=CNC=N1 CS20707 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=COC=N1 CS18363 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=CSC=C1 CS17418 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 N#CC1=NC=CS1 CS12219 [0,0,0,0,0,0|2,1,1]=4 29 B7R1.1 N#CC1=NNC=C1 CS20722 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.1 NCC1=CC=CN1 CS14874 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 NCC1=CC=CO1 MC41689 [0,0,0,0,0,0|1,0,0]=1 32 B7R1.1 NCC1=CC=CS1 CS22783 [0,0,0,0,0,0|1,1,0]=2 33 B7R1.1 NCC1=CN=CO1 CS17502 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 NCC1=CN=CO1 CS18508 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.1 NCC1=CN=CO1 MC104477 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.1 NCC1=CNC=N1 CS15263 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 NCC1=CNC=N1 CS16828 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.1 NCC1=CON=C1 MC104809 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.1 NCC1=CON=C1 MC114871 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.1 NCC1=CSC=C1 CS22417 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 NCC1=CSC=N1 MC116268 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 NCC1=NC=CS1 MC444202 [0,0,0,0,0,0|2,1,0]=3 43 B7R1.1 NCC1=NN=CO1 MC103312 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.1 NCC1=NNC=C1 CS15493 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.1 NCC1=NNC=N1 MC431455 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 NCC1=NSC=C1 MC105065 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 NCc1cocn1 MC102412 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.1 O=CC1=CC=CN1 CS17764 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.1 O=CC1=CC=CN1 MC434011 [0,0,0,0,0,0|1,0,2]=3 50 B7R1.1 O=CC1=CC=CO1 MC41686 [0,0,0,0,0,0|0,0,2]=2 51 B7R1.1 O=CC1=CC=CS1 CS16400 [0,0,0,0,0,0|0,1,2]=3 52 B7R1.1 O=CC1=CN=CO1 MC100355 [0,0,0,0,0,0|1,0,2]=3 53 B7R1.1 O=CC1=CN=CS1 CS15582 [0,0,0,0,0,0|1,1,2]=4 54 B7R1.1 O=CC1=CNC=C1 CS20728 [0,0,0,0,0,0|2,0,2]=4 55 B7R1.1 O=CC1=CNC=N1 CS14113 [0,0,0,0,0,0|2,0,2]=4 56 B7R1.1 O=CC1=CSC=C1 CS14553 [0,0,0,0,0,0|2,0,2]=4 57 B7R1.1 O=CC1=CSC=N1 MC33021 [0,0,0,0,0,0|2,0,2]=4 58 B7R1.1 O=CC1=NC=CN1 CS15723 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.1 O=CC1=NNC=C1 CS18284 [0,0,0,0,0,0|2,0,2]=4 60 B7R1.1 OCC1=CC=CO1 MC41687 [0,0,0,0,0,0|0,0,0]=0 61 B7R1.1 OCC1=CC=NO1 CS15343 [0,0,0,0,0,0|1,0,0]=1 62 B7R1.1 OCC1=CN=CS1 CS16191 [0,0,0,0,0,0|1,1,0]=2 63 B7R1.1 OCC1=CNN=C1 CS20094 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.1 OCC1=COC=C1 CS22303 [0,0,0,0,0,0|2,0,0]=2 65 B7R1.1 OCC1=CON=C1 MC104808 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.1 OCC1=CSC=C1 CS18039 [0,0,0,0,0,0|2,0,0]=2 67 B7R1.1 OCC1=CSC=N1 CS22892 [0,0,0,0,0,0|2,0,0]=2 68 B7R1.1 OCC1=NC=CS1 MC113802 [0,0,0,0,0,0|1,1,0]=2 69 B7R1.1 OCC1=NC=NN1 MC116570 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.1 OCC1=NN=CS1 MC107600 [0,0,0,0,0,0|2,1,0]=3 71 B7R1.1 OCC1CC=CC1 CS20734 [0,0,0,0,0,0|1,0,2]=3 72 B7R1.1 OCC1CCCO1 MC20392 [0,0,0,0,0,0|0,0,4]=4 73 B7R1.1 OCN1C=CC=N1 CS11902 [0,0,0,0,0,0|2,0,0]=2 74 B6R1.2 BrC1=CC=CS1 CS21414 [1,0,0,0,0,0|1,1,0]=3 75 B6R1.2 BrC1=CC=C[Se]1 MC114898 [1,0,0,0,0,0|1,1,0]=3 76 B6R1.2 BrC1=CC=NN1 CS17757 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 BrC1=CN=CO1 MC105695 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 BrC1=CN=CS1 CS14114 [1,0,0,0,0,0|2,1,0]=4 79 B6R1.2 BrC1=CNC=N1 CS14270 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 BrC1=CSC=C1 CS21415 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 BrC1=CSC=N1 MC20197 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 BrC1=NC=CN1 CS19858 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 BrC1=NC=CO1 MC104314 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 BrC1=NC=CS1 CS14242 [1,0,0,0,0,0|2,1,0]=4 86 B6R1.2 BrC1=NNC=C1 CS19717 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 BrC1=NSC=C1 CS11529 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,0,0|1,0,0]=2 90 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,0,0|0,0,0]=1 91 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,0,0|0,1,0]=2 92 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,0,0|2,0,0]=3 93 B6R1.2 CC1=CN=CS1 CS10460 [1,0,0,0,0,0|1,1,0]=3 94 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,0,0|2,0,0]=3 95 B6R1.2 CC1=CNC=N1 MC20397 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 CC1=CNN=C1 CS22982 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 CC1=CNN=N1 CS12910 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,0,0,0|2,0,0]=3 99 B6R1.2 CC1=CSC=N1 CS15621 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,0,0,0|1,0,0]=2 101 B6R1.2 CC1=NC=CS1 CS22598 [1,0,0,0,0,0|1,1,0]=3 102 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,0,0,0|2,0,0]=3 103 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,0,0|2,0,0]=3 104 B6R1.2 CC1=NNC=N1 CS22353 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,0,0|2,0,0]=3 106 B6R1.2 CN1C=CC=C1 CS20770 [1,0,0,0,0,0|2,0,0]=3 107 B6R1.2 CN1C=CC=N1 CS19419 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 CN1C=CN=C1 CS19753 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 CN1C=CN=N1 CS20743 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 CN1C=NC=N1 CS20744 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 ClC1=CC=NN1 CS16937 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 ClC1=CN=CN1 CS10347 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 ClC1=CSC=N1 CS14317 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 ClC1=NC=CO1 MC106420 [1,0,0,0,0,0|2,0,0]=3 115 B6R1.2 ClC1=NNC=C1 MC103128 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 FC1=CC=NN1 MC104307 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 FC1=CN=CN1 MC429981 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 FC1=NC=CN1 MC430938 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 FC1=NC=CN1 MC431135 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 IC1=CC=CS1 CS21616 [1,0,0,0,0,0|1,1,0]=3 121 B6R1.2 IC1=CN=CS1 MC441132 [1,0,0,0,0,0|2,1,0]=4 122 B6R1.2 IC1=CNC=N1 CS14306 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 IC1=CSC=C1 CS22332 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 IC1=NC=CN1 CS21881 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 IC1=NC=CO1 MC103755 [1,0,0,0,0,0|2,0,0]=3 126 B6R1.2 IC1=NNC=C1 CS13669 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 NC1=CC=NS1 MC20989 [1,0,0,0,0,0|2,1,0]=4 128 B6R1.2 NC1=CNC=N1 CS16117 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 NC1=COC=N1 MC121309 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 NC1=CSC=C1 CS12280 [1,0,0,0,0,0|3,0,0]=4 131 B6R1.2 NC1=CSC=N1 MC106910 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 NC1=CSC=N1 MC121317 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 NC1=NC=CN1 CS13716 [1,0,0,0,0,0|3,0,0]=4 134 B6R1.2 NC1=NC=CN1 CS16946 [1,0,0,0,0,0|3,0,0]=4 135 B6R1.2 NC1=NC=CO1 CS19070 [1,0,0,0,0,0|2,0,0]=3 136 B6R1.2 NC1=NC=CS1 CS16381 [1,0,0,0,0,0|2,1,0]=4 137 B6R1.2 NC1=NNC=C1 CS22527 [1,0,0,0,0,0|3,0,0]=4 138 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,0,0,0|3,0,0]=4 139 B6R1.2 NN1C=CC=C1 MC10332 [1,0,0,0,0,0|3,0,0]=4 140 B6R1.2 NN1C=CC=N1 MC105737 [1,0,0,0,0,0|3,0,0]=4 141 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,0,0,0|2,0,1]=4 142 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,0,0,0|2,0,1]=4 143 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,0,0,0|2,0,1]=4 144 B6R1.2 O=C1NC=CN1 MC20853 [1,0,0,0,0,0|2,0,1]=4 145 B6R1.2 OC1=CNN=C1 MC41691 [1,0,0,0,0,0|3,0,0]=4 146 B6R1.2 OC1=NC=CS1 CS12100 [1,0,0,0,0,0|1,1,0]=3 147 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,0,0,0|1,0,2]=4 148 B6R1.2 ON1C=CC=N1 CS12818 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.1 BrCC1=CC(Br)=CS1 MC107253 [0,1,0,0,0,0|1,1,0]=3 150 B8R1.1 BrCC1=NC(Br)=NO1 MC115168 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [0,1,0,0,0,0|2,1,0]=4 152 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [0,1,0,0,0,0|1,1,1]=4 153 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,1,0,0,0,0|0,1,2]=4 157 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,0,0,0|0,0,2]=3 158 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,1,0,0,0,0|1,0,2]=4 159 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,1,0,0,0,0|1,0,0]=2 160 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.1 CC1=NN=C(CO)S1 MC107561 [0,1,0,0,0,0|2,1,0]=4 164 B8R1.1 CCC1=NNC(N)=C1 CS18101 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 CCN1C=C(N)C=N1 MC21175 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 CN1C=C(CO)C=N1 CS19818 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.1 CN1C=C(CO)N=N1 MC107583 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 CN1C=NC(CN)=C1 MC103434 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 CN1C=NC(CN)=C1 MC444306 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 CN1C=NC(CO)=C1 CS18049 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.1 CN1C=NC(CO)=N1 CS14509 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.1 COC1=CC(N)=NO1 CS18977 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.1 ClC1=NC(CBr)=CO1 MC442485 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,1,0,0,0,0|1,1,0]=3 175 B8R1.1 ClCC1=CN=C(Cl)S1 CS22566 [0,1,0,0,0,0|2,1,0]=4 176 B8R1.1 ClCC1=CSC(Br)=N1 MC442178 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.1 N#CC1=CC(Cl)=CN1 MC115459 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,1,0,0,0,0|1,0,1]=3 179 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [0,1,0,0,0,0|1,1,1]=4 180 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [0,1,0,0,0,0|1,1,1]=4 181 B8R1.1 NC1=CC(CO)=NN1 MC444277 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.1 NC1=NC(CCl)=CS1 CS18388 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.1 NC1=NC(CO)=CS1 CS14646 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.1 NCC1=CN=C(Cl)S1 CS12616 [0,1,0,0,0,0|2,1,0]=4 186 B8R1.1 NCC1=CN=C(Cl)S1 CS19827 [0,1,0,0,0,0|2,1,0]=4 187 B8R1.1 NCC1=NC=C(Br)S1 MC103526 [0,1,0,0,0,0|2,1,0]=4 188 B8R1.1 NCC1=NC=C(Br)S1 MC104137 [0,1,0,0,0,0|2,1,0]=4 189 B8R1.1 NCC1=NC=C(Cl)S1 MC104486 [0,1,0,0,0,0|2,1,0]=4 190 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.1 NCc1ccc(F)s1 MC102141 [0,1,0,0,0,0|1,1,0]=3 192 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,0,0,0|0,0,1]=2 193 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [0,1,0,0,0,0|1,0,2]=4 194 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [0,1,0,0,0,0|0,0,2]=3 195 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [0,1,0,0,0,0|0,1,2]=4 196 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [0,1,0,0,0,0|1,0,2]=4 197 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [0,1,0,0,0,0|0,1,2]=4 198 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [0,1,0,0,0,0|0,1,2]=4 199 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,1,0,0,0,0|0,1,2]=4 200 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,1,0,0,0,0|0,0,2]=3 201 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [0,1,0,0,0,0|0,1,0]=2 202 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,1,0,0,0,0|0,0,0]=1 203 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,1,0,0,0,0|0,1,0]=2 204 B8R1.1 OCC1=CN=C(Br)S1 CS18424 [0,1,0,0,0,0|1,1,0]=3 205 B8R1.1 OCC1=CSC(Br)=N1 CS15600 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.1 OCC1=CSC(Cl)=C1 MC102400 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.1 OCC1=NC(Br)=CS1 MC103530 [0,1,0,0,0,0|1,1,0]=3 208 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,1,0,0,0,0|0,0,2]=3 209 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,1,0,0,0,0|0,1,2]=4 210 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,1,0,0,0,0|1,0,2]=4 211 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,1,0,0,0,0|1,0,2]=4 212 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,1,0,0,0,0|1,0,0]=2 213 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,1,0,0,0,0|2,1,0]=4 215 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,1,0,0,0,0|1,1,0]=3 216 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [0,1,0,0,0,0|1,0,1]=3 217 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [0,1,0,0,0,0|1,0,1]=3 218 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,1,0,0,0,0|1,0,1]=3 219 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,1,0,0,0,0|0,0,1]=2 220 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,1,0,0,0,0|0,1,1]=3 221 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,1,0,0,0,0|1,0,1]=3 222 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,1,0,0,0,0|1,1,1]=4 223 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,1,0,0,0,0|2,0,1]=4 225 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,1,0,0,0,0|2,0,1]=4 226 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,1,0,0,0,0|2,0,1]=4 227 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,1,0,0,0,0|2,0,1]=4 229 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,1,0,0,0,0|1,0,1]=3 231 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,1,0,0,0,0|1,1,1]=4 232 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,1,0,0,0,0|2,0,1]=4 233 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,1,0,0,0,0|2,0,1]=4 234 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,1,0,0,0,0|2,0,1]=4 235 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,1,0,0,0,0|2,0,1]=4 236 B8R1.7 OB(O)C1=CC=CN1 MC113759 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.7 OB(O)C1=CC=CO1 CS22587 [0,1,0,0,0,0|1,0,0]=2 238 B8R1.7 OB(O)C1=CC=CS1 CS22584 [0,1,0,0,0,0|1,1,0]=3 239 B8R1.7 OB(O)C1=CC=NN1 MC425351 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.7 OB(O)C1=CNC=C1 MC113852 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.7 OB(O)C1=COC=C1 CS15915 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.7 OB(O)C1=CSC=C1 CS22585 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.7 OB(O)C1=CSC=N1 MC113501 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.7 OB(O)C1=NC=CN1 MC20760 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.8 CCCC1=NC=CN1 CS14621 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.8 COCC1=NC=CN1 MC104489 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.8 COCN1C=CN=C1 CS12819 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.8 N#CCC1=CC=CS1 CS22998 [0,1,0,0,0,0|1,1,0]=3 249 B8R1.8 N#CCC1=CSC=C1 CS13644 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.8 N#CCC1=NC=CS1 MC103865 [0,1,0,0,0,0|2,1,0]=4 251 B8R1.8 N#CCC1=NNC=C1 MC105297 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.8 NCCC1=CNC=N1 CS18264 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.8 NCCC1=CSC=C1 CS22098 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.8 NNCC1=CC=CS1 MC104512 [0,1,0,0,0,0|1,1,0]=3 255 B8R1.8 NNCC1=CSC=C1 MC104511 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.8 O=CCC1=CC=CS1 CS17423 [0,1,0,0,0,0|0,1,1]=3 257 B8R1.8 OCCC1=CC=CS1 CS14939 [0,1,0,0,0,0|0,1,0]=2 258 B8R1.8 OCCC1=CNC=N1 CS18186 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.8 OCCC1=CNN=C1 CS18073 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.8 OCCC1=CSC=C1 CS20858 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.8 OCCC1=NC=CN1 MC431716 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.8 OCCN1C=CN=C1 CS18191 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.11 Br[Zn]c1sccc1Br MC121354 [0,1,0,0,0,0|2,1,0]=4 264 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [0,1,0,0,0,0|2,0,0]=3 265 B8R1.11 CC1=C(CO)NC=N1 CS14250 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.11 CCC1=NNC=C1I MC106505 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.11 CCN1N=CC=C1N MC444111 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.11 CN1C=CN=C1CO CS13833 [0,1,0,0,0,0|2,0,0]=3 269 B8R1.11 CN1C=NN=C1CO CS15203 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.11 CN1N=NC=C1CO MC107581 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.11 ClC1=C(CBr)C=CS1 CS14290 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.11 N#CC1=C(Br)C=CS1 CS22192 [0,1,0,0,0,0|1,1,1]=4 273 B8R1.11 N#CC1=C(Cl)C=CS1 MC442674 [0,1,0,0,0,0|1,1,1]=4 274 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [0,1,0,0,0,0|0,1,2]=4 275 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [0,1,0,0,0,0|1,1,0]=3 276 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [0,1,0,0,0,0|1,0,2]=4 277 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [0,1,0,0,0,0|0,1,2]=4 278 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [0,1,0,0,0,0|1,0,2]=4 279 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [0,1,0,0,0,0|0,1,2]=4 280 B8R1.11 OCC1=C(Br)N=CS1 CS12138 [0,1,0,0,0,0|1,1,0]=3 281 B8R1.11 OCC1=C(Br)SC=C1 MC442201 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.11 OCC1=C(F)C=CS1 MC429391 [0,1,0,0,0,0|0,1,0]=2 283 B6R0.1 CCOC(=O)CO CS11386 [0,0,1,0,0,0|1,0,2]=4 284 B6R0.6 C=CCCCCO CS10397 [0,0,1,0,0,0|1,0,2]=4 285 B6R1.6 OCC1CCO1 CS15009 [0,0,0,0,1,0|0,0,3]=4 286 B8R1.2 BrCC1=CC=CN=N1 CS15758 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.2 BrCC1=CC=NC=C1 CS22459 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.2 BrCC1=CC=NC=C1 MC111773 [0,0,0,0,0,1|2,0,0]=3 289 B8R1.2 BrCC1=CN=CN=C1 CS17938 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.2 BrCC1=NC=CC=N1 MC110628 [0,0,0,0,0,1|2,0,0]=3 291 B8R1.2 BrCC1=NC=CN=C1 MC115921 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.2 Br[Mg]c1cccnc1 MC121318 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.2 Br[Zn]c1ccccn1 MC121328 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.2 Br[Zn]c1cccnc1 MC121329 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.2 Br[Zn]c1ncccn1 MC116064 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.2 C#CC1=CC=CC=C1 CS19127 [0,0,0,0,0,1|2,0,1]=4 297 B8R1.2 C#CC1=CC=CN=N1 MC102367 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.2 C#CC1=CC=NC=C1 CS22825 [0,0,0,0,0,1|2,0,1]=4 299 B8R1.2 C#CC1=NC=CC=C1 CS21539 [0,0,0,0,0,1|2,0,1]=4 300 B8R1.2 C#CC1=NC=CC=N1 CS12611 [0,0,0,0,0,1|2,0,1]=4 301 B8R1.2 C#CC1=NC=CN=C1 MC104763 [0,0,0,0,0,1|2,0,1]=4 302 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,0,0,0,0,1|2,0,0]=3 304 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,0,0,0,0,1|2,0,0]=3 305 B8R1.2 CNC1=CC=CC=C1 CS11792 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.2 CNC1=CC=CN=C1 CS13856 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.2 CNC1=CC=NC=C1 MC41620 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.2 COC1=CC=CC=C1 MC41309 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.2 COC1=CC=CN=C1 CS22348 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.2 COC1=CC=CN=N1 CS22347 [0,0,0,0,0,1|3,0,0]=4 311 B8R1.2 COC1=CC=NC=C1 CS19206 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.2 COC1=NC=CC=C1 CS18780 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.2 COC1=NC=CN=C1 CS17887 [0,0,0,0,0,1|3,0,0]=4 314 B8R1.2 CSC1=CC=CC=C1 MC439137 [0,0,0,0,0,1|3,0,0]=4 315 B8R1.2 CSC1=NC=CC=C1 MC41628 [0,0,0,0,0,1|3,0,0]=4 316 B8R1.2 ClCC1=CC=CN=C1 CS19291 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.2 ClCC1=CC=CN=N1 CS16004 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.2 ClCC1=CC=CN=N1 MC112985 [0,0,0,0,0,1|2,0,0]=3 319 B8R1.2 ClCC1=CN=CN=C1 MC444367 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.2 ClCC1=NC=CC=C1 CS19289 [0,0,0,0,0,1|2,0,0]=3 321 B8R1.2 ClCC1=NC=CC=N1 CS20902 [0,0,0,0,0,1|2,0,0]=3 322 B8R1.2 ClCC1=NC=CN=C1 MC444156 [0,0,0,0,0,1|2,0,0]=3 323 B8R1.2 ICC1=CC=CC=C1 CS11000 [0,0,0,0,0,1|2,0,0]=3 324 B8R1.2 ICC1=CC=CN=C1 MC430640 [0,0,0,0,0,1|2,0,0]=3 325 B8R1.2 I[Zn]c1ccccc1 MC121332 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.2 N#CC1=CC=CC=C1 MC40623 [0,0,0,0,0,1|2,0,1]=4 327 B8R1.2 N#CC1=CC=CN=N1 MC444570 [0,0,0,0,0,1|2,0,1]=4 328 B8R1.2 N#CC1=CC=NC=C1 MC427074 [0,0,0,0,0,1|2,0,1]=4 329 B8R1.2 N#CC1=CN=CC=C1 CS22263 [0,0,0,0,0,1|2,0,1]=4 330 B8R1.2 N#CC1=NC=CC=C1 CS19642 [0,0,0,0,0,1|2,0,1]=4 331 B8R1.2 N#CC1=NC=CC=N1 CS17385 [0,0,0,0,0,1|2,0,1]=4 332 B8R1.2 N#CC1=NC=CN=C1 CS17380 [0,0,0,0,0,1|2,0,1]=4 333 B8R1.2 N#CC1=NC=NC=C1 CS12430 [0,0,0,0,0,1|2,0,1]=4 334 B8R1.2 N#Cc1ccccc1 CS13696 [0,0,0,0,0,1|2,0,1]=4 335 B8R1.2 NCC1=CC=CC=C1 MC40797 [0,0,0,0,0,1|2,0,0]=3 336 B8R1.2 NCC1=CC=CN=C1 CS14226 [0,0,0,0,0,1|2,0,0]=3 337 B8R1.2 NCC1=CC=CN=N1 MC444234 [0,0,0,0,0,1|2,0,0]=3 338 B8R1.2 NCC1=CC=NC=C1 CS11906 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.2 NCC1=CC=NC=C1 CS19023 [0,0,0,0,0,1|2,0,0]=3 340 B8R1.2 NCC1=CN=CN=C1 MC444384 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.2 NCC1=CN=NC=C1 CS15014 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.2 NCC1=CN=NC=C1 CS15515 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.2 NCC1=CN=NC=C1 MC444324 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.2 NCC1=NC=CC=N1 CS21304 [0,0,0,0,0,1|2,0,0]=3 345 B8R1.2 NCC1=NC=CC=N1 MC425460 [0,0,0,0,0,1|2,0,0]=3 346 B8R1.2 NCC1=NC=CN=C1 CS19691 [0,0,0,0,0,1|2,0,0]=3 347 B8R1.2 NCC1=NC=CN=C1 CS20245 [0,0,0,0,0,1|2,0,0]=3 348 B8R1.2 NCC1=NC=NC=C1 MC444325 [0,0,0,0,0,1|2,0,0]=3 349 B8R1.2 NNC1=CC=CC=C1 CS15210 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.2 NNC1=CC=CC=C1 MC427075 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.2 NNC1=CC=CN=C1 CS15491 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.2 NNC1=CC=CN=C1 CS22308 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.2 NNC1=CC=NC=C1 MC20777 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.2 NNC1=NC=CC=C1 CS15589 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.2 NNC1=NC=CC=C1 CS21573 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.2 NNC1=NC=CC=N1 MC425172 [0,0,0,0,0,1|3,0,0]=4 357 B8R1.2 NNC1=NC=CN=C1 MC444188 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.2 O=CC1=CC=CN=N1 MC121079 [0,0,0,0,0,1|1,0,2]=4 359 B8R1.2 O=CC1=CN=CC=C1 CS19090 [0,0,0,0,0,1|1,0,2]=4 360 B8R1.2 O=CC1=NC=CC=C1 CS18610 [0,0,0,0,0,1|1,0,2]=4 361 B8R1.2 O=CC1=NC=CC=N1 MC444571 [0,0,0,0,0,1|1,0,2]=4 362 B8R1.2 O=CC1=NC=CN=C1 CS18375 [0,0,0,0,0,1|1,0,2]=4 363 B8R1.2 O=NC1=CC=CC=C1 MC33163 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.2 OCC1=CC=CC=C1 MC40684 [0,0,0,0,0,1|1,0,0]=2 365 B8R1.2 OCC1=CC=CN=C1 CS22409 [0,0,0,0,0,1|1,0,0]=2 366 B8R1.2 OCC1=CC=CN=N1 CS21870 [0,0,0,0,0,1|1,0,0]=2 367 B8R1.2 OCC1=CC=NC=C1 CS19163 [0,0,0,0,0,1|1,0,0]=2 368 B8R1.2 OCC1=CN=CN=C1 MC444370 [0,0,0,0,0,1|2,0,0]=3 369 B8R1.2 OCC1=CN=NC=C1 MC444363 [0,0,0,0,0,1|2,0,0]=3 370 B8R1.2 OCC1=NC=CC=C1 CS19164 [0,0,0,0,0,1|1,0,0]=2 371 B8R1.2 OCC1=NC=CC=N1 CS19924 [0,0,0,0,0,1|1,0,0]=2 372 B8R1.2 OCC1=NC=CN=C1 CS21749 [0,0,0,0,0,1|1,0,0]=2 373 B8R1.2 OCC1=NC=NC=C1 CS11915 [0,0,0,0,0,1|1,0,0]=2 374 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,0,0,1|0,0,2]=3 375 B8R1.2 SCC1=NC=CN=C1 MC110936 [0,0,0,0,0,1|1,1,0]=3 376 B5R0.1 C\C=C\B(O)O MC116392 [1,0,1,0,0,0|1,0,1]=4 377 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,1,0,0,0|0,0,2]=4 378 B5R0.2 C#C\C=C\CO MC428290 [1,0,1,0,0,0|0,0,2]=4 379 B5R0.2 OC\C=C\CCl MC10262 [1,0,1,0,0,0|1,0,1]=4 380 B5R0.2 OC\C=C\CO MC41968 [1,0,1,0,0,0|0,0,1]=3 381 B5R0.2 OC\C=C\CO MC424009 [1,0,1,0,0,0|0,0,1]=3 382 B5R0.3 C=C(CO)CO CS21689 [1,0,1,0,0,0|1,0,1]=4 383 B5R0.3 COC(=O)CO CS19433 [1,0,1,0,0,0|1,0,1]=4 384 B5R0.3 O=CC(=O)CO MC427604 [1,0,1,0,0,0|1,0,1]=4 385 B5R0.3 O=CC(O)CO MC107096 [1,0,1,0,0,0|1,0,1]=4 386 B5R0.3 O=CC(O)CO MC20361 [1,0,1,0,0,0|1,0,1]=4 387 B5R0.3 O=CC(O)CO MC20362 [1,0,1,0,0,0|1,0,1]=4 388 B5R1.1 C1=CNC=C1 MC20798 [2,0,0,0,0,0|1,0,0]=3 389 B5R1.1 C1=CNC=N1 CS19767 [2,0,0,0,0,0|2,0,0]=4 390 B5R1.1 C1=CNN=C1 CS18933 [2,0,0,0,0,0|2,0,0]=4 391 B5R1.1 C1=CON=C1 MC20462 [2,0,0,0,0,0|1,0,0]=3 392 B5R1.1 C1=CSC=C1 MC41709 [2,0,0,0,0,0|0,1,0]=3 393 B5R1.1 C1=CSC=N1 MC425154 [2,0,0,0,0,0|1,1,0]=4 394 B5R1.1 C1=CSN=C1 MC20995 [2,0,0,0,0,0|1,1,0]=4 395 B5R1.1 C1=C[CH-]C=C1 MC21078 [2,0,0,0,0,0|1,0,0]=3 396 B7R0.3 C=CCOC(=O)CCl MC428296 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,1,1,0,0,0|2,0,0]=4 398 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [1,1,0,0,0,0|1,1,0]=4 399 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [1,1,0,0,0,0|1,1,0]=4 400 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,1,0,0,0,0|1,0,1]=4 401 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,1,0,0,0,0|0,0,1]=3 402 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,1,0,0,0,0|0,1,0]=3 404 B7R1.2 CC1=CC(Br)=NN1 CS12832 [1,1,0,0,0,0|2,0,0]=4 405 B7R1.2 CC1=CC(Br)=NO1 MC113406 [1,1,0,0,0,0|1,0,0]=3 406 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,1,0,0,0,0|2,0,0]=4 407 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,1,0,0,0,0|1,0,0]=3 408 B7R1.2 CC1=CC(I)=NN1 CS16887 [1,1,0,0,0,0|2,0,0]=4 409 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,1,0,0,0,0|0,1,0]=3 410 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,1,0,0,0,0|1,0,0]=3 411 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,1,0,0,0,0|2,0,0]=4 412 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,1,0,0,0,0|2,0,0]=4 413 B7R1.2 CC1=CN=C(Br)S1 CS12301 [1,1,0,0,0,0|1,1,0]=4 414 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,1,0,0,0,0|1,1,0]=4 415 B7R1.2 CC1=CN=C(N)S1 CS21821 [1,1,0,0,0,0|1,1,0]=4 416 B7R1.2 CC1=CNC(Br)=N1 MC111806 [1,1,0,0,0,0|2,0,0]=4 417 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,1,0,0,0,0|2,0,0]=4 418 B7R1.2 CC1=COC(Br)=N1 MC113513 [1,1,0,0,0,0|2,0,0]=4 419 B7R1.2 CC1=CSC(Br)=N1 CS18300 [1,1,0,0,0,0|2,0,0]=4 420 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,1,0,0,0,0|1,1,0]=4 421 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,1,0,0,0,0|1,1,0]=4 422 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,1,0,0,0,0|1,1,0]=4 423 B7R1.2 CC1=NC(I)=CS1 MC432141 [1,1,0,0,0,0|1,1,0]=4 424 B7R1.2 CC1=NC=C(I)N1 CS19295 [1,1,0,0,0,0|2,0,0]=4 425 B7R1.2 CC1=NC=C(I)S1 MC441133 [1,1,0,0,0,0|1,1,0]=4 426 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,1,0,0,0,0|2,0,0]=4 427 B7R1.2 CC1=NC=C(N)S1 CS15937 [1,1,0,0,0,0|1,1,0]=4 428 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,1,0,0,0,0|2,0,0]=4 429 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,1,0,0,0,0|2,0,0]=4 430 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,1,0,0,0,0|2,0,0]=4 431 B7R1.2 CC1=NOC(N)=C1 CS16239 [1,1,0,0,0,0|2,0,0]=4 432 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,1,0,0,0,0|2,0,0]=4 433 B7R1.2 CC1=NSC(Br)=C1 CS10288 [1,1,0,0,0,0|2,0,0]=4 434 B7R1.2 CC1=NSC(I)=C1 MC100265 [1,1,0,0,0,0|2,0,0]=4 435 B7R1.2 CC1=NSC(N)=C1 CS16387 [1,1,0,0,0,0|2,0,0]=4 436 B7R1.2 CN1C=C(Br)C=N1 CS19794 [1,1,0,0,0,0|2,0,0]=4 437 B7R1.2 CN1C=C(Cl)C=N1 CS12276 [1,1,0,0,0,0|2,0,0]=4 438 B7R1.2 CN1C=C(I)C=N1 CS20765 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.2 CN1C=C(N)C=N1 CS12134 [1,1,0,0,0,0|2,0,0]=4 440 B7R1.2 CN1C=C(N)C=N1 CS15973 [1,1,0,0,0,0|2,0,0]=4 441 B7R1.2 CN1C=C(N)C=N1 MC41661 [1,1,0,0,0,0|2,0,0]=4 442 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,1,0,0,0,0|2,0,0]=4 443 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,1,0,0,0,0|2,0,0]=4 444 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.2 CN1C=CC(N)=C1 CS17699 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,1,0,0,0,0|2,0,0]=4 447 B7R1.2 ClC1=CC=C(I)S1 MC114731 [1,1,0,0,0,0|1,1,0]=4 448 B7R1.2 FC1=CSC(Br)=C1 MC430931 [1,1,0,0,0,0|1,1,0]=4 449 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [1,1,0,0,0,0|1,1,0]=4 450 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [1,1,0,0,0,0|1,1,0]=4 451 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [1,1,0,0,0,0|1,1,0]=4 452 B7R1.2 NC1=NC(O)=CS1 MC111277 [1,1,0,0,0,0|2,0,0]=4 453 B7R1.2 OC1=NSC(Cl)=C1 MC31103 [1,1,0,0,0,0|2,0,0]=4 454 B7R1.4 BrC1=C(Br)SC=C1 CS22551 [1,1,0,0,0,0|1,1,0]=4 455 B7R1.4 BrC1=C(I)C=CS1 MC113889 [1,1,0,0,0,0|1,1,0]=4 456 B7R1.4 BrC1=C(I)SC=C1 MC431562 [1,1,0,0,0,0|1,1,0]=4 457 B7R1.4 CC1=C(Br)C=NN1 CS16927 [1,1,0,0,0,0|2,0,0]=4 458 B7R1.4 CC1=C(Br)SC=C1 CS13700 [1,1,0,0,0,0|1,1,0]=4 459 B7R1.4 CC1=C(C)NC=N1 MC20435 [1,1,0,0,0,0|2,0,0]=4 460 B7R1.4 CC1=C(C)SC=N1 CS22784 [1,1,0,0,0,0|1,1,0]=4 461 B7R1.4 CC1=CC=NN1C CS19266 [1,1,0,0,0,0|2,0,0]=4 462 B7R1.4 CC1=CNN=C1C CS13346 [1,1,0,0,0,0|2,0,0]=4 463 B7R1.4 CC1=CSC=C1Br MC441134 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.4 CC1=CSC=C1N MC427269 [1,1,0,0,0,0|2,0,0]=4 465 B7R1.4 CC1=NNC=C1Br CS15947 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.4 CC1=NNC=C1I CS22358 [1,1,0,0,0,0|2,0,0]=4 467 B7R1.4 CC1=NOC=C1N CS17073 [1,1,0,0,0,0|2,0,0]=4 468 B7R1.4 CC1=NSC=C1Br MC100263 [1,1,0,0,0,0|2,0,0]=4 469 B7R1.4 CN1N=CC=C1Br CS12124 [1,1,0,0,0,0|2,0,0]=4 470 B7R1.4 CN1N=CC=C1N CS22609 [1,1,0,0,0,0|2,0,0]=4 471 B7R1.4 CN1N=CC=C1O CS10399 [1,1,0,0,0,0|2,0,0]=4 472 B7R1.4 ClC1=C(Br)C=CS1 CS22555 [1,1,0,0,0,0|1,1,0]=4 473 B7R1.4 ClC1=C(Br)SC=C1 MC442573 [1,1,0,0,0,0|1,1,0]=4 474 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [0,1,0,0,0,1|1,0,0]=3 483 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.1 CC1=CN=C(CCl)C=N1 MC103599 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.1 CC1=CN=C(CCl)N=C1 CS15667 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.1 CC1=CN=C(CCl)N=C1 MC104693 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.1 CC1=CN=C(CN)N=C1 MC103801 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.1 CC1=CN=C(CO)C=N1 CS12383 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.1 CC1=CN=C(CO)N=C1 MC102095 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.1 CC1=NC=C(CO)C=N1 CS13969 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.1 ClCC1=CC=C(Cl)N=N1 CS15407 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.1 ClCC1=NC=C(Cl)C=N1 MC104700 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.1 FC1=CN=C(CCl)N=C1 MC104697 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.1 NCC1=CC=C(Br)N=C1 CS11090 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.1 NCC1=CC=C(Cl)N=C1 CS16390 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.1 NCC1=CC=C(Cl)N=N1 MC105810 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.1 NCC1=NC=C(Br)C=N1 MC102033 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.1 NCC1=NC=C(F)C=N1 MC104531 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [0,1,0,0,0,1|1,0,0]=3 537 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [0,1,0,0,0,1|1,0,0]=3 538 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [0,1,0,0,0,1|1,0,0]=3 539 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [0,1,0,0,0,1|1,0,0]=3 540 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [0,1,0,0,0,1|1,0,0]=3 541 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [0,1,0,0,0,1|1,0,0]=3 542 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.1 OCC1=CN=C(Cl)N=C1 MC444180 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.1 OCC1=NC=C(Br)C=N1 MC104533 [0,1,0,0,0,1|1,0,0]=3 546 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [0,1,0,0,0,1|1,0,0]=3 547 B9R1.1 OCC1=NC=C(Cl)C=N1 MC104698 [0,1,0,0,0,1|1,0,0]=3 548 B9R1.1 OCC1=NC=C(Cl)N=C1 CS14569 [0,1,0,0,0,1|1,0,0]=3 549 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [0,1,0,0,0,1|1,0,0]=3 550 B9R1.1 OCC1=NC=C(F)C=N1 MC103703 [0,1,0,0,0,1|1,0,0]=3 551 B9R1.2 BrCC1=CC(I)=CC=C1 MC40562 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.2 BrCC1=CC=CC(Br)=C1 CS19344 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 CC1=CC(CCl)=NC=C1 CS15442 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,1,0,0,0,1|1,0,0]=3 557 B9R1.2 CC1=CC(CO)=NC=N1 MC103804 [0,1,0,0,0,1|1,0,0]=3 558 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,1,0,0,0,1|1,0,0]=3 563 B9R1.2 CC1=CN=CC(CCl)=C1 CS14445 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.2 CC1=CN=CC(CCl)=N1 CS17402 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,1,0,0,0,1|1,0,0]=3 566 B9R1.2 CC1=CN=NC(CN)=C1 MC104119 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.2 CC1=NC(CCl)=NC=C1 MC113392 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.2 CC1=NC(CN)=NC=C1 MC431122 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,1,0,0,0,1|1,0,0]=3 570 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.2 CCC1=CC(=O)N=CN1 MC106508 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.2 CCC1=CC(Cl)=NC=N1 MC106509 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.2 CCC1=CC=C[N+]([O-])=C1 MC427174 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.2 CCC1=CN=CC(Br)=C1 CS11907 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.2 CCC1=NC=CC(N)=C1 MC105214 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.2 ClC1=CC(CBr)=NC=C1 MC111259 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.2 ClC1=CC=CC(CBr)=C1 CS22235 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.2 ClC1=CN=CC(CBr)=C1 MC107431 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.2 ClCC1=CC(Br)=CC=C1 MC40579 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.2 ClCC1=CC(Cl)=CC=C1 MC40582 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.2 ClCC1=CN=CC(Br)=C1 MC425679 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.2 FC1=CC=CC(CBr)=C1 MC40552 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.2 FC1=CC=CC(CCl)=C1 CS19068 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.2 FCC1=CC=CC(F)=C1 MC433530 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.2 NC1=CC(CO)=NC=C1 MC33483 [0,1,0,0,0,1|1,0,0]=3 591 B9R1.2 NC1=CC(CO)=NC=N1 MC121194 [0,1,0,0,0,1|1,0,0]=3 592 B9R1.2 NC1=CC(CO)=NC=N1 MC425257 [0,1,0,0,0,1|1,0,0]=3 593 B9R1.2 NC1=CC=CC(CO)=C1 CS18821 [0,1,0,0,0,1|1,0,0]=3 594 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [0,1,0,0,0,1|1,0,0]=3 595 B9R1.2 NC1=CN=CC(CO)=C1 CS22079 [0,1,0,0,0,1|1,0,0]=3 596 B9R1.2 NC1=NC=CC(CCl)=C1 MC431205 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.2 NC1=NC=CC(CF)=N1 MC430731 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.2 NC1=NC=CC(CO)=C1 CS17807 [0,1,0,0,0,1|1,0,0]=3 599 B9R1.2 NC1=NC=CC(CO)=N1 CS21291 [0,1,0,0,0,1|1,0,0]=3 600 B9R1.2 NCC1=CC(=O)N=CN1 MC112983 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.2 NCC1=CC(Br)=CC=C1 CS19652 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.2 NCC1=CC(Br)=CC=C1 MC40798 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.2 NCC1=CC(Br)=CN=C1 MC106753 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.2 NCC1=CC(Br)=NC=C1 CS17247 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.2 NCC1=CC(Cl)=CC=C1 MC33134 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.2 NCC1=CC(Cl)=NC=C1 CS16037 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.2 NCC1=CC(F)=CC=C1 MC33025 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.2 NCC1=CC(F)=CN=C1 MC431591 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.2 NCC1=CC(F)=NC=C1 MC116260 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.2 NCC1=CC(I)=CC=C1 CS22330 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.2 NCC1=CC(N)=NC=C1 CS17453 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.2 NCC1=CC(N)=NC=N1 MC113023 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.2 NCC1=CC(N)=NC=N1 MC115658 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.2 NCC1=CN=CC(N)=C1 MC33458 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.2 NCC1=NC(Cl)=CN=C1 MC106438 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.2 NCC1=NC(Cl)=CN=C1 MC111184 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.2 NCC1=NC(O)=NC=C1 MC104065 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.2 NCC1=NC=CC(Br)=C1 CS12824 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.2 NCC1=NC=CC(Br)=C1 CS15559 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.2 NCC1=NC=CC(Cl)=C1 MC113773 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.2 NCC1=NC=NC(Cl)=C1 MC113046 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.2 OC1=CC(CBr)=CC=C1 MC425573 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.2 OCC1=CC(Br)=CN=C1 CS18272 [0,1,0,0,0,1|1,0,0]=3 627 B9R1.2 OCC1=CC(Br)=NC=C1 CS19256 [0,1,0,0,0,1|1,0,0]=3 628 B9R1.2 OCC1=CC(F)=CC=C1 CS19069 [0,1,0,0,0,1|1,0,0]=3 629 B9R1.2 OCC1=CC(F)=CN=C1 MC430713 [0,1,0,0,0,1|1,0,0]=3 630 B9R1.2 OCC1=CC(F)=NC=C1 CS21547 [0,1,0,0,0,1|1,0,0]=3 631 B9R1.2 OCC1=CC(O)=CC=C1 MC40720 [0,1,0,0,0,1|1,0,0]=3 632 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [0,1,0,0,0,1|1,0,0]=3 633 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [0,1,0,0,0,1|1,0,0]=3 634 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [0,1,0,0,0,1|1,0,0]=3 635 B9R1.2 OCC1=NC(Cl)=CN=C1 CS16124 [0,1,0,0,0,1|1,0,0]=3 636 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [0,1,0,0,0,1|1,0,0]=3 637 B9R1.2 OCC1=NC=CC(Br)=C1 CS18696 [0,1,0,0,0,1|1,0,0]=3 638 B9R1.2 OCC1=NC=CC(Cl)=C1 MC20517 [0,1,0,0,0,1|1,0,0]=3 639 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [0,1,0,0,0,1|1,0,0]=3 640 B9R1.2 OCC1=NC=NC(Cl)=C1 MC444425 [0,1,0,0,0,1|1,0,0]=3 641 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,1,0,0,0,1|1,0,0]=3 651 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,1,0,0,0,1|1,0,0]=3 652 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,1,0,0,0,1|1,0,0]=3 653 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.6 FC(F)C1=CC=CN=C1 MC429164 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.6 FC(F)C1=CC=NC=C1 MC429159 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,1,0,0,0,1|1,0,1]=4 659 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,1,0,0,0,1|1,0,1]=4 660 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,1,0,0,0,1|1,0,1]=4 661 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,1,0,0,0,1|1,0,1]=4 662 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,1,0,0,0,1|1,0,1]=4 663 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,1,0,0,0,1|1,0,1]=4 664 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,1,0,0,0,1|1,0,1]=4 665 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.6 OB(O)C1=CC=NC=C1 CS22018 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.6 OB(O)C1=NC=NC=C1 MC20899 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.8 CCCC1=CC=CN=C1 CS22402 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.8 CCNC1=CC=CC=C1 MC40913 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.8 CCOC1=NC=CC=C1 CS18732 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.8 CCOC1=NC=CN=C1 CS21524 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.8 CNCC1=CC=CC=C1 MC10559 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.8 CNCC1=CC=CC=C1 MC20323 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.8 CNCC1=CC=CC=C1 MC21006 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.8 CNCC1=CC=CN=C1 CS18846 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.8 COCC1=NC=CC=C1 CS20909 [0,1,0,0,0,1|1,0,0]=3 681 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.8 FCCC1=CC=CC=C1 MC41557 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.8 N#CCC1=CC=CN=N1 MC102380 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.8 N#CCC1=NC=CC=N1 MC444200 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.8 N#CCC1=NC=NC=C1 MC101900 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.8 NCCC1=CC=CC=C1 MC40983 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.8 NCCC1=CC=CN=C1 CS21892 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.8 NCCC1=NC=CC=C1 CS14064 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.8 NCCC1=NC=NC=C1 MC104796 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.8 NNCC1=CC=CC=C1 CS11006 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.8 NNCC1=CC=CC=C1 CS12127 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.8 NNCC1=CC=CN=C1 MC111189 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.8 NNCC1=CC=CN=C1 MC111240 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.8 NNCC1=CC=CN=N1 MC104509 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.8 NNCC1=CC=NC=C1 MC111241 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.8 NNCC1=NC=CC=C1 MC111239 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.8 NNCC1=NC=CC=N1 MC102372 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.8 NNCC1=NC=CN=C1 MC105289 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.8 NOCC1=CC=CC=C1 CS14063 [0,1,0,0,0,1|1,0,0]=3 704 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [0,1,0,0,0,1|1,0,1]=4 705 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [0,1,0,0,0,1|1,0,1]=4 706 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [0,1,0,0,0,1|1,0,1]=4 707 B9R1.8 OCCC1=CC=CC=C1 MC40745 [0,1,0,0,0,1|1,0,0]=3 708 B9R1.8 OCCC1=CN=CN=C1 CS12401 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.8 ONCC1=CC=CC=C1 CS11753 [0,1,0,0,0,1|1,0,0]=3 710 B9R1.15 BrCC1=C(Br)C=CC=C1 MC20808 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.15 BrCC1=C(I)C=CC=C1 MC40561 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 CC1=C(CBr)C=CC=C1 CS14791 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.15 CC1=C(CBr)C=NC=C1 CS17496 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 CC1=C(CCl)C=NC=C1 MC104833 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 CC1=C(CN)C=CC=C1 MC33216 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 CC1=C(CN)C=NC=C1 CS20204 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.15 CC1=C(CO)C=NC=C1 MC443666 [0,1,0,0,0,1|1,0,0]=3 718 B9R1.15 CC1=CC=CN=C1CCl CS15725 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.15 CC1=CC=CN=C1CO CS19225 [0,1,0,0,0,1|1,0,0]=3 720 B9R1.15 CC1=NC=CC=C1CCl MC104832 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.15 CC1=NC=CC=C1CN MC102930 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.15 CC1=NC=CC=C1CO CS20145 [0,1,0,0,0,1|1,0,0]=3 723 B9R1.15 CC1=NC=CN=C1CCl MC104771 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.15 CC1=NC=CN=C1CN MC103464 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.15 CCC1=C(Br)C=CC=C1 CS20980 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.15 CCC1=C(Br)C=CN=C1 MC427078 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.15 CCC1=C(N)C=CC=C1 MC40911 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.15 CCC1=NC=CC=C1Br MC105746 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.15 CCC1=NC=NC=C1F CS19573 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.15 ClC1=C(CBr)C=CC=C1 CS19190 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.15 ClC1=CC=CN=C1CBr MC116292 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.15 ClCC1=C(Cl)C=CC=C1 CS19964 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.15 ClCC1=CC=CC=C1Br MC30029 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.15 FC1=C(CBr)C=CC=C1 CS21562 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 FC1=C(CCl)C=CC=C1 MC40597 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 FC1=CC=CN=C1CBr MC430869 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.15 FC1=CC=CN=C1CCl MC425766 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 FC1=NC=CC=C1CBr MC430634 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.15 FC1=NC=CC=C1CCl MC429652 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.15 NC1=C(CO)C=CC=C1 CS19122 [0,1,0,0,0,1|1,0,0]=3 744 B9R1.15 NC1=NC=CC=C1CO CS13983 [0,1,0,0,0,1|1,0,0]=3 745 B9R1.15 NCC1=C(Br)C=CC=C1 CS19534 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.15 NCC1=C(Br)C=NC=C1 CS17629 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.15 NCC1=C(F)C=CC=C1 MC40826 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.15 NCC1=C(F)C=NC=C1 MC116263 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.15 NCC1=C(F)C=NC=C1 MC431082 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.15 NCC1=C(N)C=CC=C1 MC40796 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.15 NCC1=C(O)C=CC=C1 CS20889 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.15 NCC1=NC=CC=C1Cl MC114379 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.15 NCC1=NC=CC=C1F MC104008 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.15 NCC1=NC=CC=C1O MC443567 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.15 OCC1=C(Br)C=CC=C1 CS18828 [0,1,0,0,0,1|1,0,0]=3 758 B9R1.15 OCC1=C(Br)C=NC=C1 CS12881 [0,1,0,0,0,1|1,0,0]=3 759 B9R1.15 OCC1=C(Cl)C=CC=C1 CS21494 [0,1,0,0,0,1|1,0,0]=3 760 B9R1.15 OCC1=C(Cl)C=CN=C1 CS17105 [0,1,0,0,0,1|1,0,0]=3 761 B9R1.15 OCC1=C(F)C=CC=C1 MC33139 [0,1,0,0,0,1|1,0,0]=3 762 B9R1.15 OCC1=C(I)C=CC=C1 CS19102 [0,1,0,0,0,1|1,0,0]=3 763 B9R1.15 OCC1=C(O)C=CC=C1 CS16243 [0,1,0,0,0,1|1,0,0]=3 764 B9R1.15 OCC1=CC=CN=C1Cl CS14328 [0,1,0,0,0,1|1,0,0]=3 765 B9R1.15 OCC1=CC=CN=C1F CS18697 [0,1,0,0,0,1|1,0,0]=3 766 B9R1.15 OCC1=CN=CN=C1Cl MC444026 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.15 OCC1=NC=CC=C1Br MC431297 [0,1,0,0,0,1|1,0,0]=3 768 B9R1.15 OCC1=NC=CC=C1Br MC431298 [0,1,0,0,0,1|1,0,0]=3 769 B9R1.15 OCC1=NC=CC=C1Cl CS17318 [0,1,0,0,0,1|1,0,0]=3 770 B9R1.15 OCC1=NC=CC=C1F MC430870 [0,1,0,0,0,1|1,0,0]=3 771 B9R1.15 OCC1=NC=CC=C1O MC20200 [0,1,0,0,0,1|1,0,0]=3 772 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [0,1,0,0,0,1|1,0,0]=3 773 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [0,2,0,0,0,0|0,0,2]=4 774 B9R1.7 COCC1=CC(N)=NN1 MC103472 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.7 COCC1=CC(N)=NO1 MC107872 [0,2,0,0,0,0|1,0,0]=3 776 B9R1.7 NC1=NN(CCO)C=C1 CS16129 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [0,2,0,0,0,0|1,1,0]=4 778 B9R1.7 NNCC1=CC=C(Cl)S1 MC104513 [0,2,0,0,0,0|1,1,0]=4 779 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.21 CCC1=CC(CO)=NO1 MC106101 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.21 N#CC1=CC=C(CBr)S1 CS10149 [0,2,0,0,0,0|1,1,0]=4 782 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,2,0,0,0,0|0,0,2]=4 783 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,2,0,0,0,0|1,0,0]=3 784 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,2,0,0,0,0|0,0,0]=2 785 B9R1.21 OCC1=CC=C(CO)O1 CS10151 [0,2,0,0,0,0|0,0,0]=2 786 B9R1.22 CC1=C(CCl)OC(=O)O1 CS17711 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.22 CC1=C(CO)OC(=O)O1 CS15068 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.22 CC1=C(CO)SC(Br)=N1 MC432524 [0,2,0,0,0,0|1,1,0]=4 789 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 CS13821 [0,2,0,0,0,0|1,1,0]=4 790 B9R1.23 CC1=CC(CO)=NN1C MC429810 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.23 CN1N=C(CO)C=C1Br MC429813 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,2,0,0,0,0|0,0,2]=4 793 B9R1.35 CC(O)C1=CN(C)C=N1 MC103373 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,2,0,0,0,0|0,0,1]=3 795 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,2,0,0,0,0|0,1,1]=4 796 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,2,0,0,0,0|1,0,1]=4 797 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,2,0,0,0,0|0,0,1]=3 798 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,2,0,0,0,0|1,0,1]=4 799 B9R1.35 CC1=CSC(B(O)O)=C1 MC430054 [0,2,0,0,0,0|1,1,0]=4 800 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,2,0,0,0,0|1,0,1]=4 801 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,2,0,0,0,0|1,0,1]=4 802 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,2,0,0,0,0|0,0,1]=3 803 B9R1.35 FC(F)C1=CC=C(Br)S1 MC432136 [0,2,0,0,0,0|1,1,0]=4 804 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,2,0,0,0,0|0,0,2]=4 805 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,2,0,0,0,0|0,0,2]=4 806 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,2,0,0,0,0|1,0,1]=4 807 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,2,0,0,0,0|0,0,1]=3 808 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,2,0,0,0,0|0,1,1]=4 809 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,2,0,0,0,0|1,0,1]=4 810 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,2,0,0,0,0|1,0,1]=4 811 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,2,0,0,0,0|1,0,1]=4 812 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,2,0,0,0,0|0,0,1]=3 813 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,2,0,0,0,0|0,1,1]=4 814 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,2,0,0,0,0|0,0,1]=3 815 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,2,0,0,0,0|0,1,1]=4 816 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,2,0,0,0,0|1,0,1]=4 817 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,2,0,0,0,0|0,1,1]=4 818 B9R1.35 OB(O)C1=CC(Br)=CS1 MC107120 [0,2,0,0,0,0|1,1,0]=4 819 B9R1.35 OB(O)C1=CC(F)=CS1 MC430811 [0,2,0,0,0,0|1,1,0]=4 820 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,2,0,0,0,0|1,0,1]=4 821 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,2,0,0,0,0|0,0,1]=3 822 B9R1.19 FC(F)(F)C1=CC=CN1 MC428266 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.41 CC1=C(B(O)O)SC=C1 MC441627 [0,2,0,0,0,0|1,1,0]=4 824 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,2,0,0,0,0|1,0,1]=4 825 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,2,0,0,0,0|1,0,1]=4 826 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,2,0,0,0,0|0,1,1]=4 827 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,2,0,0,0,0|0,1,1]=4 828 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,2,0,0,0,0|0,1,1]=4 829 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,2,0,0,0,0|0,1,1]=4 830 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,2,0,0,0,0|0,1,1]=4 831 B9R1.41 OB(O)C1=C(Br)C=CS1 MC441628 [0,2,0,0,0,0|1,1,0]=4 832 B9R1.41 OB(O)C1=C(Cl)C=CS1 MC441626 [0,2,0,0,0,0|1,1,0]=4 833 B9R1.12 CCOCC1=CC=CO1 CS17009 [0,2,0,0,0,0|0,0,0]=2 834 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [0,2,0,0,0,0|0,0,2]=4 835 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [0,2,0,0,0,0|0,0,2]=4 836 B9R1.12 OCCCC1=CN=CN1 MC443843 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,2,0,0,0,0|1,0,0]=3 838 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,2,0,0,0,0|0,1,0]=3 839 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,2,0,0,0,0|2,0,0]=4 840 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,2,0,0,0,0|1,1,0]=4 841 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.33 CC1=C(CCO)SC=N1 CS19563 [0,2,0,0,0,0|1,1,0]=4 844 B9R1.33 CCOC1=C(C)N=CO1 MC20466 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.33 CN1C=CC=C1CCO MC106498 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.33 NC1=CC=NN1CCO CS18267 [0,2,0,0,0,0|2,0,0]=4 847 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,1,1,0,0|0,0,2]=4 848 B7R1.3 OC1=CC=CC=C1 MC41210 [0,0,1,1,0,0|1,0,1]=4 849 B7R1.3 OC1=CC=CN=C1 CS17813 [0,0,1,1,0,0|1,0,1]=4 850 B7R1.3 OC1=NC=CC=C1 CS21602 [0,0,1,1,0,0|2,0,0]=4 851 B9R2.50 C1=CC=C2CCC2=C1 CS19267 [0,0,0,1,0,1|2,0,0]=4