0 B6R1.2 BrC1=CC=CS1 CS21414 [0,0,0,0,0,0|1,1,0]=2 1 B6R1.2 BrC1=CC=C[Se]1 MC114898 [0,0,0,0,0,0|1,1,0]=2 2 B6R1.2 BrC1=CC=NN1 CS17757 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CO1 MC105695 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 BrC1=CN=CS1 CS14114 [0,0,0,0,0,0|2,1,0]=3 5 B6R1.2 BrC1=CNC=N1 CS14270 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 BrC1=CNN=C1 CS13922 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 BrC1=COC=C1 CS19877 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 BrC1=CSC=C1 CS21415 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 BrC1=CSC=N1 MC20197 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 BrC1=NC=CN1 CS19858 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 BrC1=NC=CO1 MC104314 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 BrC1=NC=CS1 CS14242 [0,0,0,0,0,0|2,1,0]=3 13 B6R1.2 BrC1=NC=NS1 CS14599 [0,0,0,0,0,0|3,1,0]=4 14 B6R1.2 BrC1=NN=CN1 CS18124 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 BrC1=NN=CS1 CS21329 [0,0,0,0,0,0|3,1,0]=4 16 B6R1.2 BrC1=NNC=C1 CS19717 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 BrC1=NNC=N1 CS22126 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 BrC1=NOC=C1 MC113742 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 BrC1=NSC=C1 CS11529 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 CC1=CC=CN1 CS21660 [0,0,0,0,0,0|1,0,0]=1 21 B6R1.2 CC1=CC=CO1 MC41695 [0,0,0,0,0,0|0,0,0]=0 22 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,0,0,0|0,1,0]=1 23 B6R1.2 CC1=CC=NN1 MC21108 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 CC1=CN=CS1 CS10460 [0,0,0,0,0,0|1,1,0]=2 25 B6R1.2 CC1=CNC=C1 MC20689 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 CC1=CNC=N1 MC20397 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 CC1=CNN=C1 CS22982 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 CC1=CNN=N1 CS12910 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 CC1=COC=N1 MC427478 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 CC1=CSC=N1 CS15621 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 CC1=NC=CO1 CS11827 [0,0,0,0,0,0|1,0,0]=1 32 B6R1.2 CC1=NC=CS1 CS22598 [0,0,0,0,0,0|1,1,0]=2 33 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,0,0|1,0,3]=4 34 B6R1.2 CC1=NN=CO1 CS12863 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 CC1=NNC=C1 CS13720 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 CC1=NNC=N1 CS22353 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 CC1=NOC=C1 CS11533 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 CC1CCCO1 MC20580 [0,0,0,0,0,0|0,0,4]=4 39 B6R1.2 CN1C=CC=C1 CS20770 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.2 CN1C=CC=N1 CS19419 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 CN1C=CN=C1 CS19753 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 CN1C=CN=N1 CS20743 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 CN1C=NC=N1 CS20744 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 CN1C=NN=C1 MC20987 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 CN1C=NN=N1 MC445043 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 ClC1=CC=NN1 CS16937 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 ClC1=CN=CN1 CS10347 [0,0,0,0,0,0|3,0,0]=3 48 B6R1.2 ClC1=CNN=C1 CS18764 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 ClC1=CSC=N1 CS14317 [0,0,0,0,0,0|3,0,0]=3 50 B6R1.2 ClC1=NC=CO1 MC106420 [0,0,0,0,0,0|2,0,0]=2 51 B6R1.2 ClC1=NC=NS1 CS13994 [0,0,0,0,0,0|3,1,0]=4 52 B6R1.2 ClC1=NN=CN1 CS18465 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 ClC1=NNC=C1 MC103128 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 ClC1=NNC=N1 CS13947 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 FC1=CC=NN1 MC104307 [0,0,0,0,0,0|3,0,0]=3 56 B6R1.2 FC1=CN=CN1 MC429981 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.2 FC1=NC=CN1 MC430938 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 FC1=NC=CN1 MC431135 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 IC1=CC=CS1 CS21616 [0,0,0,0,0,0|1,1,0]=2 60 B6R1.2 IC1=CN=CS1 MC441132 [0,0,0,0,0,0|2,1,0]=3 61 B6R1.2 IC1=CNC=N1 CS14306 [0,0,0,0,0,0|3,0,0]=3 62 B6R1.2 IC1=CNN=C1 CS14308 [0,0,0,0,0,0|4,0,0]=4 63 B6R1.2 IC1=CSC=C1 CS22332 [0,0,0,0,0,0|3,0,0]=3 64 B6R1.2 IC1=NC=CN1 CS21881 [0,0,0,0,0,0|3,0,0]=3 65 B6R1.2 IC1=NC=CO1 MC103755 [0,0,0,0,0,0|2,0,0]=2 66 B6R1.2 IC1=NNC=C1 CS13669 [0,0,0,0,0,0|3,0,0]=3 67 B6R1.2 NC1=CC=NS1 MC20989 [0,0,0,0,0,0|2,1,0]=3 68 B6R1.2 NC1=CN=NS1 CS13955 [0,0,0,0,0,0|3,1,0]=4 69 B6R1.2 NC1=CNC=N1 CS16117 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 NC1=CNN=C1 CS18307 [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 NC1=CNN=N1 MC116513 [0,0,0,0,0,0|4,0,0]=4 72 B6R1.2 NC1=COC=N1 MC121309 [0,0,0,0,0,0|3,0,0]=3 73 B6R1.2 NC1=CON=C1 CS15739 [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 NC1=CSC=C1 CS12280 [0,0,0,0,0,0|3,0,0]=3 75 B6R1.2 NC1=CSC=N1 MC106910 [0,0,0,0,0,0|3,0,0]=3 76 B6R1.2 NC1=CSC=N1 MC121317 [0,0,0,0,0,0|3,0,0]=3 77 B6R1.2 NC1=NC=CN1 CS13716 [0,0,0,0,0,0|3,0,0]=3 78 B6R1.2 NC1=NC=CN1 CS16946 [0,0,0,0,0,0|3,0,0]=3 79 B6R1.2 NC1=NC=CO1 CS19070 [0,0,0,0,0,0|2,0,0]=2 80 B6R1.2 NC1=NC=CS1 CS16381 [0,0,0,0,0,0|2,1,0]=3 81 B6R1.2 NC1=NC=NN1 CS15608 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 NC1=NC=NS1 CS13953 [0,0,0,0,0,0|3,1,0]=4 83 B6R1.2 NC1=NC=NS1 CS15183 [0,0,0,0,0,0|3,1,0]=4 84 B6R1.2 NC1=NN=CS1 CS22505 [0,0,0,0,0,0|3,1,0]=4 85 B6R1.2 NC1=NNC=C1 CS22527 [0,0,0,0,0,0|3,0,0]=3 86 B6R1.2 NC1=NNC=N1 CS22032 [0,0,0,0,0,0|4,0,0]=4 87 B6R1.2 NC1=NOC=C1 CS14368 [0,0,0,0,0,0|3,0,0]=3 88 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,0,0,0|2,0,2]=4 89 B6R1.2 NN1C=CC=C1 MC10332 [0,0,0,0,0,0|3,0,0]=3 90 B6R1.2 NN1C=CC=N1 MC105737 [0,0,0,0,0,0|3,0,0]=3 91 B6R1.2 O=C1C=CNN1 MC106502 [0,0,0,0,0,0|3,0,0]=3 92 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,0,0,0|3,0,0]=3 93 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,0,0,0|3,0,0]=3 94 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,0,0,0|3,0,1]=4 95 B6R1.2 O=C1NC=CN1 MC20853 [0,0,0,0,0,0|3,0,0]=3 96 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,0,0,0|2,0,2]=4 97 B6R1.2 OC1=CNN=C1 MC41691 [0,0,0,0,0,0|4,0,0]=4 98 B6R1.2 OC1=NC=CS1 CS12100 [0,0,0,0,0,0|2,1,0]=3 99 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,0,0,0|2,0,2]=4 100 B6R1.2 ON1C=CC=N1 CS12818 [0,0,0,0,0,0|3,0,0]=3 101 B6R1.2 SC1=NN=CS1 MC20533 [0,0,0,0,0,0|3,1,0]=4 102 B5R1.1 C1=CCNC1 MC10278 [1,0,0,0,0,0|1,0,2]=4 103 B5R1.1 C1=CNC=C1 MC20798 [1,0,0,0,0,0|1,0,0]=2 104 B5R1.1 C1=CNC=N1 CS19767 [1,0,0,0,0,0|2,0,0]=3 105 B5R1.1 C1=CNN=C1 CS18933 [1,0,0,0,0,0|2,0,0]=3 106 B5R1.1 C1=CNN=N1 CS18218 [1,0,0,0,0,0|3,0,0]=4 107 B5R1.1 C1=CON=C1 MC20462 [1,0,0,0,0,0|1,0,0]=2 108 B5R1.1 C1=CSC=C1 MC41709 [1,0,0,0,0,0|0,1,0]=2 109 B5R1.1 C1=CSC=N1 MC425154 [1,0,0,0,0,0|1,1,0]=3 110 B5R1.1 C1=CSN=C1 MC20995 [1,0,0,0,0,0|1,1,0]=3 111 B5R1.1 C1=C[CH-]C=C1 MC21078 [1,0,0,0,0,0|1,0,0]=2 112 B5R1.1 C1=NC=NN1 CS19896 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 BrCC1=CC=CS1 MC111260 [0,1,0,0,0,0|0,1,0]=2 114 B7R1.1 BrCC1=CC=NO1 MC114075 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.1 BrCC1=COC=C1 MC111404 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.1 BrCC1=NC=CO1 MC106296 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.1 BrCC1=NC=CS1 CS12090 [0,1,0,0,0,0|1,1,0]=3 118 B7R1.1 Br[Zn]c1cccs1 MC121347 [0,1,0,0,0,0|1,1,0]=3 119 B7R1.1 Br[Zn]c1nccs1 MC121340 [0,1,0,0,0,0|2,1,0]=4 120 B7R1.1 CCC1=NC=CN1 CS21533 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 CCN1C=CC=N1 CS20681 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 CNC1=NC=CS1 CS12598 [0,1,0,0,0,0|1,1,0]=3 123 B7R1.1 COC1=CSC=C1 CS22351 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 COC1=NC=CS1 CS22597 [0,1,0,0,0,0|1,1,0]=3 125 B7R1.1 CSC1=CNN=C1 MC445675 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.1 CSC1=NC=CO1 CS17723 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.1 ClCC1=CC=CO1 CS13429 [0,1,0,0,0,0|0,0,0]=1 128 B7R1.1 ClCC1=CN=CO1 MC105780 [0,1,0,0,0,0|1,0,0]=2 129 B7R1.1 ClCC1=CN=CO1 MC114644 [0,1,0,0,0,0|1,0,0]=2 130 B7R1.1 ClCC1=CN=CS1 CS16156 [0,1,0,0,0,0|1,1,0]=3 131 B7R1.1 ClCC1=COC=N1 MC113786 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.1 ClCC1=NC=CN1 CS20896 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.1 ClCC1=NC=NN1 MC116571 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.1 ClCC1=NNC=C1 MC442276 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.1 I[Zn]c1ccsc1 MC116065 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.1 N#CC1=CC=CS1 CS22701 [0,1,0,0,0,0|0,1,1]=3 137 B7R1.1 N#CC1=CC=NO1 CS17495 [0,1,0,0,0,0|1,0,1]=3 138 B7R1.1 N#CC1=CN=CS1 CS12489 [0,1,0,0,0,0|1,1,1]=4 139 B7R1.1 N#CC1=CNC=N1 CS20707 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.1 N#CC1=COC=N1 CS18363 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.1 N#CC1=CSC=C1 CS17418 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.1 N#CC1=NC=CS1 CS12219 [0,1,0,0,0,0|1,1,1]=4 143 B7R1.1 N#CC1=NNC=C1 CS20722 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.1 NCC1=CC=CN1 CS14874 [0,1,0,0,0,0|1,0,0]=2 145 B7R1.1 NCC1=CC=CO1 MC41689 [0,1,0,0,0,0|0,0,0]=1 146 B7R1.1 NCC1=CC=CS1 CS22783 [0,1,0,0,0,0|0,1,0]=2 147 B7R1.1 NCC1=CN=CO1 CS17502 [0,1,0,0,0,0|1,0,0]=2 148 B7R1.1 NCC1=CN=CO1 CS18508 [0,1,0,0,0,0|1,0,0]=2 149 B7R1.1 NCC1=CN=CO1 MC104477 [0,1,0,0,0,0|1,0,0]=2 150 B7R1.1 NCC1=CNC=N1 CS15263 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.1 NCC1=CNC=N1 CS16828 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.1 NCC1=CON=C1 MC104809 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.1 NCC1=CON=C1 MC114871 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.1 NCC1=CSC=C1 CS22417 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 NCC1=CSC=N1 MC116268 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.1 NCC1=NC=CS1 MC444202 [0,1,0,0,0,0|1,1,0]=3 157 B7R1.1 NCC1=NN=CO1 MC103312 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 NCC1=NNC=C1 CS15493 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.1 NCC1=NNC=N1 MC431455 [0,1,0,0,0,0|3,0,0]=4 160 B7R1.1 NCC1=NSC=C1 MC105065 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.1 NCc1cocn1 MC102412 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.1 O=CC1=CC=CN1 CS17764 [0,1,0,0,0,0|1,0,1]=3 163 B7R1.1 O=CC1=CC=CN1 MC434011 [0,1,0,0,0,0|1,0,1]=3 164 B7R1.1 O=CC1=CC=CO1 MC41686 [0,1,0,0,0,0|0,0,1]=2 165 B7R1.1 O=CC1=CC=CS1 CS16400 [0,1,0,0,0,0|0,1,1]=3 166 B7R1.1 O=CC1=CN=CO1 MC100355 [0,1,0,0,0,0|1,0,1]=3 167 B7R1.1 O=CC1=CN=CS1 CS15582 [0,1,0,0,0,0|1,1,1]=4 168 B7R1.1 O=CC1=CNC=C1 CS20728 [0,1,0,0,0,0|2,0,1]=4 169 B7R1.1 O=CC1=CNC=N1 CS14113 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.1 O=CC1=CSC=C1 CS14553 [0,1,0,0,0,0|2,0,1]=4 171 B7R1.1 O=CC1=CSC=N1 MC33021 [0,1,0,0,0,0|2,0,1]=4 172 B7R1.1 O=CC1=NC=CN1 CS15723 [0,1,0,0,0,0|2,0,1]=4 173 B7R1.1 O=CC1=NNC=C1 CS18284 [0,1,0,0,0,0|2,0,1]=4 174 B7R1.1 OCC1=CC=CO1 MC41687 [0,1,0,0,0,0|0,0,0]=1 175 B7R1.1 OCC1=CC=NO1 CS15343 [0,1,0,0,0,0|1,0,0]=2 176 B7R1.1 OCC1=CN=CS1 CS16191 [0,1,0,0,0,0|1,1,0]=3 177 B7R1.1 OCC1=CNN=C1 CS20094 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.1 OCC1=COC=C1 CS22303 [0,1,0,0,0,0|2,0,0]=3 179 B7R1.1 OCC1=CON=C1 MC104808 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.1 OCC1=CSC=C1 CS18039 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.1 OCC1=CSC=N1 CS22892 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.1 OCC1=NC=CS1 MC113802 [0,1,0,0,0,0|1,1,0]=3 183 B7R1.1 OCC1=NC=NN1 MC116570 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.1 OCC1=NN=CS1 MC107600 [0,1,0,0,0,0|2,1,0]=4 185 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,0,0,0|1,0,2]=4 186 B7R1.1 OCN1C=CC=N1 CS11902 [0,1,0,0,0,0|2,0,0]=3 187 B7R1.2 BrC1=CC=C(Br)S1 CS22553 [0,1,0,0,0,0|1,1,0]=3 188 B7R1.2 BrC1=CN=C(Br)S1 CS19923 [0,1,0,0,0,0|2,1,0]=4 189 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [0,1,0,0,0,0|1,1,0]=3 190 B7R1.2 BrC1=CSC(Br)=N1 CS13368 [0,1,0,0,0,0|2,1,0]=4 191 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,0,0,0|1,0,1]=3 192 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,0,0,0|0,0,1]=2 193 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,1,0,0,0,0|0,1,0]=2 195 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,1,0,0,0,0|1,0,0]=2 197 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,1,0,0,0,0|1,0,0]=2 199 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.2 CC1=CC=C(Br)S1 CS22735 [0,1,0,0,0,0|0,1,0]=2 201 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,1,0,0,0,0|1,0,0]=2 202 B7R1.2 CC1=CN(C)C=N1 MC111221 [0,1,0,0,0,0|2,0,0]=3 203 B7R1.2 CC1=CN(C)N=C1 CS20542 [0,1,0,0,0,0|2,0,0]=3 204 B7R1.2 CC1=CN(C)N=N1 MC103246 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.2 CC1=CN=C(Br)S1 CS12301 [0,1,0,0,0,0|1,1,0]=3 206 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,1,0,0,0,0|1,1,0]=3 207 B7R1.2 CC1=CN=C(N)S1 CS21821 [0,1,0,0,0,0|1,1,0]=3 208 B7R1.2 CC1=CNC(Br)=N1 MC111806 [0,1,0,0,0,0|2,0,0]=3 209 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.2 CC1=COC(Br)=N1 MC113513 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.2 CC1=CSC(Br)=N1 CS18300 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,1,0,0,0,0|1,1,0]=3 213 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,1,0,0,0,0|1,1,0]=3 214 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,1,0,0,0,0|1,1,0]=3 215 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,0,0,0|1,0,2]=4 216 B7R1.2 CC1=NC(I)=CS1 MC432141 [0,1,0,0,0,0|1,1,0]=3 217 B7R1.2 CC1=NC=C(I)N1 CS19295 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.2 CC1=NC=C(I)S1 MC441133 [0,1,0,0,0,0|1,1,0]=3 219 B7R1.2 CC1=NC=C(N)N1 MC445566 [0,1,0,0,0,0|2,0,0]=3 220 B7R1.2 CC1=NC=C(N)S1 CS15937 [0,1,0,0,0,0|1,1,0]=3 221 B7R1.2 CC1=NN(C)C=C1 CS20520 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.2 CC1=NN=C(Br)S1 CS22523 [0,1,0,0,0,0|2,1,0]=4 223 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.2 CC1=NN=C(N)N1 CS22083 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,1,0,0,0,0|2,0,1]=4 226 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,1,0,0,0,0|2,0,0]=3 227 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,1,0,0,0,0|2,1,0]=4 228 B7R1.2 CC1=NNC(C)=N1 MC444208 [0,1,0,0,0,0|3,0,0]=4 229 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,1,0,0,0,0|2,0,0]=3 230 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,1,0,0,0,0|2,0,0]=3 231 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,1,0,0,0,0|2,0,0]=3 232 B7R1.2 CC1=NSC(Br)=N1 MC115942 [0,1,0,0,0,0|3,0,0]=4 233 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,1,0,0,0,0|2,0,0]=3 234 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,1,0,0,0,0|2,0,0]=3 235 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,0,0,0|1,0,2]=4 236 B7R1.2 CN1C=C(Br)C=N1 CS19794 [0,1,0,0,0,0|2,0,0]=3 237 B7R1.2 CN1C=C(Br)N=N1 CS14890 [0,1,0,0,0,0|3,0,0]=4 238 B7R1.2 CN1C=C(Cl)C=N1 CS12276 [0,1,0,0,0,0|2,0,0]=3 239 B7R1.2 CN1C=C(I)C=N1 CS20765 [0,1,0,0,0,0|2,0,0]=3 240 B7R1.2 CN1C=C(N)C=N1 CS12134 [0,1,0,0,0,0|2,0,0]=3 241 B7R1.2 CN1C=C(N)C=N1 CS15973 [0,1,0,0,0,0|2,0,0]=3 242 B7R1.2 CN1C=C(N)C=N1 MC41661 [0,1,0,0,0,0|2,0,0]=3 243 B7R1.2 CN1C=C(N)N=N1 MC110917 [0,1,0,0,0,0|3,0,0]=4 244 B7R1.2 CN1C=CC(=O)N1 CS17197 [0,1,0,0,0,0|2,0,0]=3 245 B7R1.2 CN1C=CC(Br)=N1 CS20720 [0,1,0,0,0,0|2,0,0]=3 246 B7R1.2 CN1C=CC(I)=N1 MC442844 [0,1,0,0,0,0|2,0,0]=3 247 B7R1.2 CN1C=CC(N)=C1 CS17699 [0,1,0,0,0,0|2,0,0]=3 248 B7R1.2 CN1C=CC(N)=N1 CS13878 [0,1,0,0,0,0|2,0,0]=3 249 B7R1.2 CN1C=NC(Br)=N1 CS22130 [0,1,0,0,0,0|3,0,0]=4 250 B7R1.2 CN1C=NC(I)=C1 CS16068 [0,1,0,0,0,0|3,0,0]=4 251 B7R1.2 CN1C=NC(N)=C1 CS15605 [0,1,0,0,0,0|3,0,0]=4 252 B7R1.2 CN1C=NC(N)=C1 MC102995 [0,1,0,0,0,0|3,0,0]=4 253 B7R1.2 CN1C=NC(N)=N1 MC443496 [0,1,0,0,0,0|3,0,0]=4 254 B7R1.2 CN1N=CC(Br)=N1 CS17389 [0,1,0,0,0,0|3,0,0]=4 255 B7R1.2 ClC1=CC=C(I)S1 MC114731 [0,1,0,0,0,0|1,1,0]=3 256 B7R1.2 ClC1=CN=C(Br)S1 MC441007 [0,1,0,0,0,0|2,1,0]=4 257 B7R1.2 ClC1=CSC(Br)=N1 CS17180 [0,1,0,0,0,0|2,1,0]=4 258 B7R1.2 ClC1=CSC(Cl)=N1 CS14318 [0,1,0,0,0,0|2,1,0]=4 259 B7R1.2 ClC1=NC(Br)=CS1 MC425755 [0,1,0,0,0,0|2,1,0]=4 260 B7R1.2 ClC1=NC=C(Br)S1 MC441006 [0,1,0,0,0,0|2,1,0]=4 261 B7R1.2 FC1=CN=C(Br)S1 MC105255 [0,1,0,0,0,0|2,1,0]=4 262 B7R1.2 FC1=CSC(Br)=C1 MC430931 [0,1,0,0,0,0|1,1,0]=3 263 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,1,0,0,0,0|3,0,0]=4 264 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [0,1,0,0,0,0|1,1,0]=3 265 B7R1.2 NC1=CC(Cl)=NN1 MC103573 [0,1,0,0,0,0|3,0,0]=4 266 B7R1.2 NC1=CC(N)=NN1 MC106500 [0,1,0,0,0,0|3,0,0]=4 267 B7R1.2 NC1=CSC(Br)=N1 MC110924 [0,1,0,0,0,0|2,1,0]=4 268 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [0,1,0,0,0,0|1,1,0]=3 269 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [0,1,0,0,0,0|1,1,0]=3 270 B7R1.2 NC1=CSC(N)=N1 CS14359 [0,1,0,0,0,0|2,1,0]=4 271 B7R1.2 NC1=NC(Br)=CS1 CS18333 [0,1,0,0,0,0|2,1,0]=4 272 B7R1.2 NC1=NC(O)=CS1 MC111277 [0,1,0,0,0,0|2,1,0]=4 273 B7R1.2 NC1=NC=C(Cl)S1 CS21276 [0,1,0,0,0,0|2,1,0]=4 274 B7R1.2 NC1=NC=C(Cl)S1 MC442845 [0,1,0,0,0,0|2,1,0]=4 275 B7R1.2 NC1=NC=C(F)S1 CS10393 [0,1,0,0,0,0|2,1,0]=4 276 B7R1.2 NC1=NNC(Br)=C1 CS15854 [0,1,0,0,0,0|3,0,0]=4 277 B7R1.2 NC1=NNC(F)=C1 MC103696 [0,1,0,0,0,0|3,0,0]=4 278 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,1,0,0,0,0|2,0,1]=4 279 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,1,0,0,0,0|2,0,1]=4 280 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,1,0,0,0,0|3,0,0]=4 281 B7R1.2 OC1=NSC(Cl)=C1 MC31103 [0,1,0,0,0,0|2,1,0]=4 282 B7R1.4 BrC1=C(Br)SC=C1 CS22551 [0,1,0,0,0,0|1,1,0]=3 283 B7R1.4 BrC1=C(Br)SC=N1 MC442188 [0,1,0,0,0,0|2,1,0]=4 284 B7R1.4 BrC1=C(I)C=CS1 MC113889 [0,1,0,0,0,0|1,1,0]=3 285 B7R1.4 BrC1=C(I)SC=C1 MC431562 [0,1,0,0,0,0|1,1,0]=3 286 B7R1.4 BrC1=CSC=C1Br CS22554 [0,1,0,0,0,0|3,0,0]=4 287 B7R1.4 BrC1=CSC=C1I MC443772 [0,1,0,0,0,0|3,0,0]=4 288 B7R1.4 CC1=C(Br)C=NN1 CS16927 [0,1,0,0,0,0|2,0,0]=3 289 B7R1.4 CC1=C(Br)NN=N1 MC114929 [0,1,0,0,0,0|3,0,0]=4 290 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,1,0,0,0,0|1,1,0]=3 291 B7R1.4 CC1=C(C)NC=N1 MC20435 [0,1,0,0,0,0|2,0,0]=3 292 B7R1.4 CC1=C(C)SC=N1 CS22784 [0,1,0,0,0,0|1,1,0]=3 293 B7R1.4 CC1=CC=NN1C CS19266 [0,1,0,0,0,0|2,0,0]=3 294 B7R1.4 CC1=CNN=C1C CS13346 [0,1,0,0,0,0|2,0,0]=3 295 B7R1.4 CC1=CSC=C1Br MC441134 [0,1,0,0,0,0|2,0,0]=3 296 B7R1.4 CC1=CSC=C1N MC427269 [0,1,0,0,0,0|2,0,0]=3 297 B7R1.4 CC1=NNC=C1Br CS15947 [0,1,0,0,0,0|2,0,0]=3 298 B7R1.4 CC1=NNC=C1I CS22358 [0,1,0,0,0,0|2,0,0]=3 299 B7R1.4 CC1=NOC=C1N CS17073 [0,1,0,0,0,0|2,0,0]=3 300 B7R1.4 CC1=NSC=C1Br MC100263 [0,1,0,0,0,0|2,0,0]=3 301 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,0,0,0|0,0,3]=4 302 B7R1.4 CN1C=CN=C1Br MC428146 [0,1,0,0,0,0|3,0,0]=4 303 B7R1.4 CN1C=CN=C1I CS21609 [0,1,0,0,0,0|3,0,0]=4 304 B7R1.4 CN1C=NC=C1Br CS17783 [0,1,0,0,0,0|3,0,0]=4 305 B7R1.4 CN1C=NC=C1F MC429980 [0,1,0,0,0,0|3,0,0]=4 306 B7R1.4 CN1C=NC=C1I CS16077 [0,1,0,0,0,0|3,0,0]=4 307 B7R1.4 CN1C=NC=C1N CS17122 [0,1,0,0,0,0|3,0,0]=4 308 B7R1.4 CN1C=NC=C1N MC106511 [0,1,0,0,0,0|3,0,0]=4 309 B7R1.4 CN1N=CC=C1Br CS12124 [0,1,0,0,0,0|2,0,0]=3 310 B7R1.4 CN1N=CC=C1N CS22609 [0,1,0,0,0,0|2,0,0]=3 311 B7R1.4 CN1N=CC=C1O CS10399 [0,1,0,0,0,0|2,0,0]=3 312 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,0,0,0|2,0,1]=4 313 B7R1.4 CN1N=CN=C1N MC443221 [0,1,0,0,0,0|3,0,0]=4 314 B7R1.4 CN1N=NC=C1I MC442290 [0,1,0,0,0,0|3,0,0]=4 315 B7R1.4 ClC1=C(Br)C=CS1 CS22555 [0,1,0,0,0,0|1,1,0]=3 316 B7R1.4 ClC1=C(Br)SC=C1 MC442573 [0,1,0,0,0,0|1,1,0]=3 317 B7R1.4 IC1=C(I)NC=N1 MC443844 [0,1,0,0,0,0|3,0,0]=4 318 B7R1.4 NC1=C(Br)C=NN1 CS14320 [0,1,0,0,0,0|3,0,0]=4 319 B7R1.4 NC1=CNN=C1Cl MC33007 [0,1,0,0,0,0|3,0,0]=4 320 B7R1.4 NC1=CNN=C1Cl MC41659 [0,1,0,0,0,0|3,0,0]=4 321 B7R1.4 NC1=NOC=C1Br CS17964 [0,1,0,0,0,0|3,0,0]=4 322 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,0,0,0|2,0,1]=4 323 B7R1.14 O=S1(=O)C=CCO1 CS13255 [0,1,0,0,0,0|2,0,1]=4 324 B5R0.1 C=C(C)CCBr CS14513 [0,0,1,0,0,0|2,0,1]=4 325 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,1,0,0,0|2,0,1]=4 326 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,1,0,0,0|2,0,1]=4 327 B5R0.1 CC(C)=CCBr MC41900 [0,0,1,0,0,0|2,0,1]=4 328 B5R0.1 C\C=C\B(O)O MC116392 [0,0,1,0,0,0|2,0,1]=4 329 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,1,0,0,0|1,0,1]=3 330 B5R0.2 C#C\C=C\CO MC428290 [0,0,1,0,0,0|0,0,3]=4 331 B5R0.2 C\C=C\C[Pd]Cl MC444919 [0,0,1,0,0,0|2,0,1]=4 332 B5R0.2 OC\C=C\CCl MC10262 [0,0,1,0,0,0|1,0,2]=4 333 B5R0.2 OC\C=C\CO MC41968 [0,0,1,0,0,0|1,0,2]=4 334 B5R0.2 OC\C=C\CO MC424009 [0,0,1,0,0,0|1,0,2]=4 335 B7R1.3 BrC1=CC=CC=C1 MC41456 [0,0,0,0,0,1|2,0,0]=3 336 B7R1.3 BrC1=CC=CN=C1 CS19218 [0,0,0,0,0,1|2,0,0]=3 337 B7R1.3 BrC1=CC=NC=C1 CS13376 [0,0,0,0,0,1|2,0,0]=3 338 B7R1.3 BrC1=CN=CN=C1 CS22560 [0,0,0,0,0,1|3,0,0]=4 339 B7R1.3 BrC1=CN=NC=C1 MC427110 [0,0,0,0,0,1|3,0,0]=4 340 B7R1.3 BrC1=NC=CC=C1 CS17815 [0,0,0,0,0,1|2,0,0]=3 341 B7R1.3 BrC1=NC=CC=N1 CS13369 [0,0,0,0,0,1|2,0,0]=3 342 B7R1.3 BrC1=NC=CN=C1 CS15000 [0,0,0,0,0,1|2,0,0]=3 343 B7R1.3 BrC1=NC=NC=C1 MC106563 [0,0,0,0,0,1|2,0,0]=3 344 B7R1.3 CC1=CC=CN=C1 MC107850 [0,0,0,0,0,1|1,0,0]=2 345 B7R1.3 CC1=CC=CN=N1 CS22374 [0,0,0,0,0,1|1,0,0]=2 346 B7R1.3 CC1=CC=NC=C1 MC31239 [0,0,0,0,0,1|1,0,0]=2 347 B7R1.3 CC1=CC=NC=C1 MC41625 [0,0,0,0,0,1|1,0,0]=2 348 B7R1.3 CC1=CN=CN=C1 CS18851 [0,0,0,0,0,1|2,0,0]=3 349 B7R1.3 CC1=CN=NC=C1 CS22983 [0,0,0,0,0,1|2,0,0]=3 350 B7R1.3 CC1=NC=CC=C1 MC41623 [0,0,0,0,0,1|1,0,0]=2 351 B7R1.3 CC1=NC=NC=C1 CS19795 [0,0,0,0,0,1|1,0,0]=2 352 B7R1.3 CN1CC=CCC1 CS20742 [0,0,0,0,0,1|2,0,1]=4 353 B7R1.3 C[N+]1=CC=CC=C1 CS17683 [0,0,0,0,0,1|2,0,0]=3 354 B7R1.3 ClC1=CC=CC=C1 MC41469 [0,0,0,0,0,1|2,0,0]=3 355 B7R1.3 ClC1=CC=CN=N1 MC444264 [0,0,0,0,0,1|2,0,0]=3 356 B7R1.3 ClC1=CC=NC=C1 CS13378 [0,0,0,0,0,1|2,0,0]=3 357 B7R1.3 ClC1=CN=CN=C1 CS15471 [0,0,0,0,0,1|3,0,0]=4 358 B7R1.3 ClC1=CN=NC=C1 MC427202 [0,0,0,0,0,1|3,0,0]=4 359 B7R1.3 ClC1=NC=CC=C1 MC20672 [0,0,0,0,0,1|2,0,0]=3 360 B7R1.3 ClC1=NC=CC=N1 MC10446 [0,0,0,0,0,1|2,0,0]=3 361 B7R1.3 ClC1=NC=CN=C1 CS15454 [0,0,0,0,0,1|2,0,0]=3 362 B7R1.3 ClC1=NC=NC=C1 MC444346 [0,0,0,0,0,1|2,0,0]=3 363 B7R1.3 FC1=CC=CC=C1 MC41489 [0,0,0,0,0,1|2,0,0]=3 364 B7R1.3 FC1=CC=CN=C1 MC20006 [0,0,0,0,0,1|2,0,0]=3 365 B7R1.3 FC1=CC=NC=C1 MC429573 [0,0,0,0,0,1|2,0,0]=3 366 B7R1.3 FC1=CC=NC=C1 MC433050 [0,0,0,0,0,1|2,0,0]=3 367 B7R1.3 FC1=NC=CC=C1 MC20005 [0,0,0,0,0,1|2,0,0]=3 368 B7R1.3 FC1=NC=CC=N1 MC429402 [0,0,0,0,0,1|2,0,0]=3 369 B7R1.3 FC1=NC=CN=C1 MC33147 [0,0,0,0,0,1|2,0,0]=3 370 B7R1.3 F[N+]1=CC=CC=C1 MC426120 [0,0,0,0,0,1|3,0,0]=4 371 B7R1.3 F[N+]1=CC=CC=C1 MC429468 [0,0,0,0,0,1|3,0,0]=4 372 B7R1.3 IC1=CC=CC=C1 CS19958 [0,0,0,0,0,1|2,0,0]=3 373 B7R1.3 IC1=CN=CN=C1 CS12325 [0,0,0,0,0,1|3,0,0]=4 374 B7R1.3 IC1=NC=CC=C1 CS14565 [0,0,0,0,0,1|2,0,0]=3 375 B7R1.3 IC1=NC=CC=N1 CS14968 [0,0,0,0,0,1|2,0,0]=3 376 B7R1.3 IC1=NC=CN=C1 MC425096 [0,0,0,0,0,1|2,0,0]=3 377 B7R1.3 IC1=NC=NC=C1 MC442584 [0,0,0,0,0,1|2,0,0]=3 378 B7R1.3 NC1=CC=CC=C1 MC40851 [0,0,0,0,0,1|2,0,0]=3 379 B7R1.3 NC1=CC=CN=C1 CS19073 [0,0,0,0,0,1|2,0,0]=3 380 B7R1.3 NC1=CC=CN=N1 CS18539 [0,0,0,0,0,1|2,0,0]=3 381 B7R1.3 NC1=CC=CN=N1 CS19775 [0,0,0,0,0,1|2,0,0]=3 382 B7R1.3 NC1=CC=NC=C1 MC20017 [0,0,0,0,0,1|2,0,0]=3 383 B7R1.3 NC1=CN=CN=C1 CS18383 [0,0,0,0,0,1|3,0,0]=4 384 B7R1.3 NC1=CN=NC=C1 CS18154 [0,0,0,0,0,1|3,0,0]=4 385 B7R1.3 NC1=NC=CC=C1 MC41600 [0,0,0,0,0,1|2,0,0]=3 386 B7R1.3 NC1=NC=CC=N1 CS13370 [0,0,0,0,0,1|2,0,0]=3 387 B7R1.3 NC1=NC=CN=C1 CS16102 [0,0,0,0,0,1|2,0,0]=3 388 B7R1.3 NC1=NC=NC=C1 CS19707 [0,0,0,0,0,1|2,0,0]=3 389 B7R1.3 O=C1C=CC=CN1 CS18724 [0,0,0,0,0,1|2,0,0]=3 390 B7R1.3 O=C1C=CC=NN1 CS19793 [0,0,0,0,0,1|2,0,0]=3 391 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,0,0,1|2,0,1]=4 392 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,0,0,1|2,0,1]=4 393 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,0,0,1|1,0,1]=3 394 B7R1.3 O=C1C=CN=CN1 CS19105 [0,0,0,0,0,1|2,0,0]=3 395 B7R1.3 O=C1C=CNN=C1 MC427203 [0,0,0,0,0,1|3,0,0]=4 396 B7R1.3 OC1=CC=CC=C1 MC41210 [0,0,0,0,0,1|2,0,0]=3 397 B7R1.3 OC1=CC=CN=C1 CS17813 [0,0,0,0,0,1|2,0,0]=3 398 B7R1.3 OC1=CC=NC=C1 CS19216 [0,0,0,0,0,1|2,0,0]=3 399 B7R1.3 OC1=CN=CN=C1 CS10407 [0,0,0,0,0,1|3,0,0]=4 400 B7R1.3 OC1=CN=NC=C1 CS17666 [0,0,0,0,0,1|3,0,0]=4 401 B7R1.3 OC1=NC=CC=C1 CS21602 [0,0,0,0,0,1|2,0,0]=3 402 B7R1.3 OC1=NC=CC=N1 CS14246 [0,0,0,0,0,1|2,0,0]=3 403 B7R1.3 OC1=NC=CC=N1 CS16090 [0,0,0,0,0,1|2,0,0]=3 404 B7R1.3 OC1=NC=CC=N1 MC41651 [0,0,0,0,0,1|2,0,0]=3 405 B7R1.3 OC1=NC=CN=C1 CS21601 [0,0,0,0,0,1|2,0,0]=3 406 B7R1.3 OC1=NC=NC=C1 CS15728 [0,0,0,0,0,1|2,0,0]=3 407 B7R1.3 PC1=CC=CC=C1 MC444841 [0,0,0,0,0,1|2,0,0]=3 408 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [0,0,0,0,0,1|2,0,0]=3 409 B4R0.1 C=CC(N)=O MC41857 [1,0,1,0,0,0|1,0,1]=4 410 B4R0.1 C\C=C(/C)Br MC10255 [1,0,1,0,0,0|1,0,1]=4 411 B4R0.2 C=COCC MC41915 [1,0,1,0,0,0|0,0,1]=3 412 B4R0.2 CCOC=N MC33024 [1,0,1,0,0,0|1,0,1]=4 413 B4R0.2 CCOC=O MC41912 [1,0,1,0,0,0|1,0,1]=4 414 B4R0.2 C\C=C\C=O MC41879 [1,0,1,0,0,0|0,0,1]=3 415 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,1,0,0,0|1,0,1]=4 416 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,1,0,0,0|0,0,2]=4 417 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,1,0,0,0|0,0,2]=4 418 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,1,0,0,0|1,0,1]=4 419 B6R0.3 C=CC(N)C(=O)O MC21080 [0,1,1,0,0,0|1,0,1]=4 420 B6R0.4 C=CCCC(=O)O CS15216 [0,1,1,0,0,0|1,0,1]=4 421 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,1,1,0,0,0|1,0,0]=3 422 B6R0.4 CN(C)\C=C\C=O MC42238 [0,1,1,0,0,0|2,0,0]=4 423 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,1,0,0,0|0,0,2]=4 424 B8R1.2 BrCC1=CC=CN=N1 CS15758 [0,1,0,0,0,1|1,0,0]=3 425 B8R1.2 BrCC1=CC=NC=C1 CS22459 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.2 BrCC1=CC=NC=C1 MC111773 [0,1,0,0,0,1|1,0,0]=3 427 B8R1.2 BrCC1=CN=CN=C1 CS17938 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.2 BrCC1=NC=CC=N1 MC110628 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.2 BrCC1=NC=CN=C1 MC115921 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.2 Br[Mg]c1cccnc1 MC121318 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.2 Br[Zn]c1ccccn1 MC121328 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.2 Br[Zn]c1cccnc1 MC121329 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.2 Br[Zn]c1ncccn1 MC116064 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.2 C#CC1=CC=CC=C1 CS19127 [0,1,0,0,0,1|1,0,1]=4 435 B8R1.2 C#CC1=CC=CN=N1 MC102367 [0,1,0,0,0,1|1,0,1]=4 436 B8R1.2 C#CC1=CC=NC=C1 CS22825 [0,1,0,0,0,1|1,0,1]=4 437 B8R1.2 C#CC1=NC=CC=C1 CS21539 [0,1,0,0,0,1|1,0,1]=4 438 B8R1.2 C#CC1=NC=CC=N1 CS12611 [0,1,0,0,0,1|1,0,1]=4 439 B8R1.2 C#CC1=NC=CN=C1 MC104763 [0,1,0,0,0,1|1,0,1]=4 440 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.2 CNC1=CC=CC=C1 CS11792 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.2 CNC1=CC=CN=C1 CS13856 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.2 CNC1=CC=NC=C1 MC41620 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.2 COC1=CC=CC=C1 MC41309 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.2 COC1=CC=CN=C1 CS22348 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.2 COC1=CC=CN=N1 CS22347 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.2 COC1=CC=NC=C1 CS19206 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.2 COC1=CN=CN=C1 MC428182 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.2 COC1=CN=NC=C1 MC427243 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.2 COC1=NC=CC=C1 CS18780 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.2 COC1=NC=CN=C1 CS17887 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.2 CSC1=CC=CC=C1 MC439137 [0,1,0,0,0,1|1,0,0]=3 455 B8R1.2 CSC1=NC=CC=C1 MC41628 [0,1,0,0,0,1|1,0,0]=3 456 B8R1.2 ClCC1=CC=CN=C1 CS19291 [0,1,0,0,0,1|1,0,0]=3 457 B8R1.2 ClCC1=CC=CN=N1 CS16004 [0,1,0,0,0,1|1,0,0]=3 458 B8R1.2 ClCC1=CC=CN=N1 MC112985 [0,1,0,0,0,1|1,0,0]=3 459 B8R1.2 ClCC1=CN=CN=C1 MC444367 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.2 ClCC1=NC=CC=C1 CS19289 [0,1,0,0,0,1|1,0,0]=3 461 B8R1.2 ClCC1=NC=CC=N1 CS20902 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.2 ClCC1=NC=CN=C1 MC444156 [0,1,0,0,0,1|1,0,0]=3 463 B8R1.2 ICC1=CC=CC=C1 CS11000 [0,1,0,0,0,1|1,0,0]=3 464 B8R1.2 ICC1=CC=CN=C1 MC430640 [0,1,0,0,0,1|1,0,0]=3 465 B8R1.2 I[Zn]c1ccccc1 MC121332 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.2 N#CC1=CC=CC=C1 MC40623 [0,1,0,0,0,1|1,0,1]=4 467 B8R1.2 N#CC1=CC=CN=N1 MC444570 [0,1,0,0,0,1|1,0,1]=4 468 B8R1.2 N#CC1=CC=NC=C1 MC427074 [0,1,0,0,0,1|1,0,1]=4 469 B8R1.2 N#CC1=CN=CC=C1 CS22263 [0,1,0,0,0,1|1,0,1]=4 470 B8R1.2 N#CC1=NC=CC=C1 CS19642 [0,1,0,0,0,1|1,0,1]=4 471 B8R1.2 N#CC1=NC=CC=N1 CS17385 [0,1,0,0,0,1|1,0,1]=4 472 B8R1.2 N#CC1=NC=CN=C1 CS17380 [0,1,0,0,0,1|1,0,1]=4 473 B8R1.2 N#CC1=NC=NC=C1 CS12430 [0,1,0,0,0,1|1,0,1]=4 474 B8R1.2 N#Cc1ccccc1 CS13696 [0,1,0,0,0,1|1,0,1]=4 475 B8R1.2 NCC1=CC=CC=C1 MC40797 [0,1,0,0,0,1|1,0,0]=3 476 B8R1.2 NCC1=CC=CN=C1 CS14226 [0,1,0,0,0,1|1,0,0]=3 477 B8R1.2 NCC1=CC=CN=N1 MC444234 [0,1,0,0,0,1|1,0,0]=3 478 B8R1.2 NCC1=CC=NC=C1 CS11906 [0,1,0,0,0,1|1,0,0]=3 479 B8R1.2 NCC1=CC=NC=C1 CS19023 [0,1,0,0,0,1|1,0,0]=3 480 B8R1.2 NCC1=CN=CN=C1 MC444384 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.2 NCC1=CN=NC=C1 CS15014 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.2 NCC1=CN=NC=C1 CS15515 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.2 NCC1=CN=NC=C1 MC444324 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.2 NCC1=NC=CC=N1 CS21304 [0,1,0,0,0,1|1,0,0]=3 485 B8R1.2 NCC1=NC=CC=N1 MC425460 [0,1,0,0,0,1|1,0,0]=3 486 B8R1.2 NCC1=NC=CN=C1 CS19691 [0,1,0,0,0,1|1,0,0]=3 487 B8R1.2 NCC1=NC=CN=C1 CS20245 [0,1,0,0,0,1|1,0,0]=3 488 B8R1.2 NCC1=NC=NC=C1 MC444325 [0,1,0,0,0,1|1,0,0]=3 489 B8R1.2 NNC1=CC=CC=C1 CS15210 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.2 NNC1=CC=CC=C1 MC427075 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.2 NNC1=CC=CN=C1 CS15491 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.2 NNC1=CC=CN=C1 CS22308 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.2 NNC1=CC=NC=C1 MC20777 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.2 NNC1=NC=CC=C1 CS15589 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.2 NNC1=NC=CC=C1 CS21573 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.2 NNC1=NC=CC=N1 MC425172 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.2 NNC1=NC=CN=C1 MC444188 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.2 O=CC1=CC=CN=N1 MC121079 [0,1,0,0,0,1|1,0,1]=4 499 B8R1.2 O=CC1=CN=CC=C1 CS19090 [0,1,0,0,0,1|1,0,1]=4 500 B8R1.2 O=CC1=NC=CC=C1 CS18610 [0,1,0,0,0,1|1,0,1]=4 501 B8R1.2 O=CC1=NC=CC=N1 MC444571 [0,1,0,0,0,1|1,0,1]=4 502 B8R1.2 O=CC1=NC=CN=C1 CS18375 [0,1,0,0,0,1|1,0,1]=4 503 B8R1.2 O=NC1=CC=CC=C1 MC33163 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.2 OCC1=CC=CC=C1 MC40684 [0,1,0,0,0,1|1,0,0]=3 505 B8R1.2 OCC1=CC=CN=C1 CS22409 [0,1,0,0,0,1|1,0,0]=3 506 B8R1.2 OCC1=CC=CN=N1 CS21870 [0,1,0,0,0,1|1,0,0]=3 507 B8R1.2 OCC1=CC=NC=C1 CS19163 [0,1,0,0,0,1|1,0,0]=3 508 B8R1.2 OCC1=CN=CN=C1 MC444370 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.2 OCC1=CN=NC=C1 MC444363 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.2 OCC1=NC=CC=C1 CS19164 [0,1,0,0,0,1|1,0,0]=3 511 B8R1.2 OCC1=NC=CC=N1 CS19924 [0,1,0,0,0,1|1,0,0]=3 512 B8R1.2 OCC1=NC=CN=C1 CS21749 [0,1,0,0,0,1|1,0,0]=3 513 B8R1.2 OCC1=NC=NC=C1 CS11915 [0,1,0,0,0,1|1,0,0]=3 514 B8R1.2 OCC1CCC=CO1 MC20505 [0,1,0,0,0,1|0,0,2]=4 515 B8R1.2 SCC1=NC=CN=C1 MC110936 [0,1,0,0,0,1|1,0,0]=3 516 B8R1.3 BrC1=CC=C(Br)C=C1 MC41477 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.3 BrC1=CC=C(Br)N=N1 CS19665 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.3 BrC1=CC=C(I)C=C1 CS22911 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.3 BrC1=CN=C(Br)C=C1 CS21792 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.3 BrC1=CN=C(Br)C=N1 CS18888 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.3 BrC1=CN=C(Br)N=C1 CS14147 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.3 BrC1=CN=C(I)C=C1 CS22029 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.3 BrC1=CN=C(I)N=C1 CS15284 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.3 BrC1=NC=C(I)C=C1 CS15803 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.3 BrC1=NC=C(I)C=N1 MC432399 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [0,1,0,0,0,1|1,0,0]=3 527 B8R1.3 CC1=CC=C(Br)N=N1 CS12937 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,1,0,0,0,1|1,0,0]=3 529 B8R1.3 CC1=CC=C(Cl)N=N1 CS17682 [0,1,0,0,0,1|1,0,0]=3 530 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [0,1,0,0,0,1|1,0,0]=3 531 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [0,1,0,0,0,1|1,0,0]=3 532 B8R1.3 CC1=CC=C(I)N=N1 MC444284 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [0,1,0,0,0,1|1,0,0]=3 534 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.3 CC1=CC=C(N)N=N1 MC444230 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,1,0,0,0,1|1,0,0]=3 537 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,1,0,0,0,1|1,0,0]=3 538 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [0,1,0,0,0,1|1,0,0]=3 540 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [0,1,0,0,0,1|1,0,0]=3 541 B8R1.3 CC1=CN=C(Br)N=C1 CS12207 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [0,1,0,0,0,1|1,0,0]=3 544 B8R1.3 CC1=CN=C(Cl)C=N1 CS21471 [0,1,0,0,0,1|1,0,0]=3 545 B8R1.3 CC1=CN=C(Cl)N=C1 CS19723 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.3 CC1=CN=C(I)N=C1 MC443807 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.3 CC1=CN=C(N)C=N1 CS18361 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.3 CC1=CN=C(N)N=C1 CS21761 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,1,0,0,0,1|1,0,0]=3 552 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [0,1,0,0,0,1|1,0,0]=3 553 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [0,1,0,0,0,1|1,0,0]=3 555 B8R1.3 CC1=NC=C(Br)C=N1 CS18474 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.3 CC1=NC=C(Cl)C=N1 CS10333 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [0,1,0,0,0,1|1,0,0]=3 558 B8R1.3 CC1=NC=C(F)C=N1 CS14641 [0,1,0,0,0,1|1,0,0]=3 559 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [0,1,0,0,0,1|1,0,0]=3 560 B8R1.3 CC1=NC=C(N)C=N1 CS14284 [0,1,0,0,0,1|1,0,0]=3 561 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [0,1,0,0,0,1|1,0,0]=3 562 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,1,0,0,0,1|1,0,0]=3 563 B8R1.3 ClC1=CC=C(Br)C=C1 CS22677 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.3 ClC1=CC=C(Cl)N=N1 CS13684 [0,1,0,0,0,1|2,0,0]=4 565 B8R1.3 ClC1=CC=C(I)C=C1 CS19235 [0,1,0,0,0,1|2,0,0]=4 566 B8R1.3 ClC1=CC=C(I)N=N1 CS22233 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.3 ClC1=CN=C(Br)C=C1 CS17275 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.3 ClC1=CN=C(Br)N=C1 MC442585 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.3 ClC1=CN=C(Cl)C=C1 CS13779 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.3 ClC1=CN=C(Cl)C=N1 CS18838 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.3 ClC1=CN=C(Cl)N=C1 CS19746 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.3 ClC1=CN=C(I)C=C1 CS18901 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.3 ClC1=CN=C(I)N=C1 CS18983 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.3 ClC1=NC=C(Br)C=C1 CS14919 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.3 ClC1=NC=C(Br)C=N1 CS15254 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.3 ClC1=NC=C(I)C=C1 CS17315 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.3 ClC1=NC=C(I)C=N1 CS14950 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.3 ClC1=NC=C(I)N=C1 CS12211 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.3 FC1=CC=C(Br)C=C1 MC20092 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.3 FC1=CC=C(Cl)C=C1 CS20666 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.3 FC1=CC=C(Cl)N=N1 CS17436 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.3 FC1=CC=C(F)C=C1 MC41485 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.3 FC1=CC=C(F)N=N1 CS12455 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.3 FC1=CC=C(I)C=C1 CS22840 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.3 FC1=CC=C(S)C=C1 MC20299 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.3 FC1=CN=C(Br)C=C1 CS21836 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.3 FC1=CN=C(Br)C=N1 MC442841 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.3 FC1=CN=C(Br)N=C1 MC444173 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.3 FC1=CN=C(Cl)C=C1 CS21851 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.3 FC1=CN=C(Cl)N=C1 CS15365 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.3 FC1=CN=C(F)N=C1 MC107344 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.3 FC1=CN=C(I)C=C1 CS10383 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.3 FC1=NC=C(Br)C=C1 CS22028 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.3 FC1=NC=C(Br)C=N1 MC10154 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.3 FC1=NC=C(Cl)C=C1 CS17313 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.3 FC1=NC=C(I)C=C1 CS17371 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.3 FC1=NC=C(I)C=N1 CS21549 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.3 IC1=CC=C(I)C=C1 CS19213 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.3 NC1=CC=C(Br)C=C1 MC40858 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.3 NC1=CC=C(Br)C=C1 MC40859 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.3 NC1=CC=C(Br)N=C1 CS21910 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.3 NC1=CC=C(Br)N=N1 CS10641 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.3 NC1=CC=C(Cl)C=C1 CS18588 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.3 NC1=CC=C(Cl)N=C1 CS21849 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.3 NC1=CC=C(Cl)N=N1 CS15607 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.3 NC1=CC=C(F)C=C1 CS19763 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.3 NC1=CC=C(F)N=C1 CS22740 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.3 NC1=CC=C(F)N=N1 CS17801 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.3 NC1=CC=C(N)C=C1 CS18589 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.3 NC1=CC=C(N)N=N1 CS12076 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.3 NC1=CC=C(S)C=C1 MC20109 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.3 NC1=CN=C(Br)N=C1 CS21412 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.3 NC1=CN=C(Cl)N=C1 CS15662 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.3 NC1=CN=C(F)N=C1 MC431546 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.3 NC1=CN=C(N)C=C1 CS15186 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.3 NC1=CN=C(N)N=C1 CS19880 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.3 NC1=CN=C(O)C=C1 CS10211 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.3 NC1=CN=C(O)C=C1 CS18129 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.3 NC1=CN=C(O)N=C1 MC444379 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.3 NC1=NC=C(Br)C=C1 CS21813 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.3 NC1=NC=C(Br)C=N1 CS21814 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.3 NC1=NC=C(Br)N=C1 CS15187 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.3 NC1=NC=C(Cl)C=C1 CS21816 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.3 NC1=NC=C(Cl)C=N1 CS15629 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.3 NC1=NC=C(Cl)N=C1 CS18243 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.3 NC1=NC=C(F)C=C1 CS21818 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.3 NC1=NC=C(F)C=N1 CS21760 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.3 NC1=NC=C(I)C=C1 CS17736 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.3 NC1=NC=C(O)C=N1 CS17222 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.3 O=C1C=CC(Br)=NN1 CS18174 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.3 O=C1C=CC(Cl)=NN1 CS19694 [0,1,0,0,0,1|2,0,0]=4 637 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.3 O=C1N=CC(Br)=CN1 CS10266 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.3 O=C1N=CC(I)=CN1 CS10410 [0,1,0,0,0,1|2,0,0]=4 640 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.3 OC1=CC=C(O)N=N1 CS13566 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.3 OC1=CN=C(Br)N=C1 MC444174 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.3 OC1=CN=C(Cl)N=C1 CS14550 [0,1,0,0,0,1|2,0,0]=4 652 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.3 OC1=NC=C(Br)C=C1 CS22706 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.3 OC1=NC=C(Br)C=N1 CS15434 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.3 OC1=NC=C(Br)N=C1 CS19024 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.3 OC1=NC=C(Cl)C=N1 MC436855 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.3 OC1=NC=C(Cl)N=C1 CS19402 [0,1,0,0,0,1|2,0,0]=4 658 B8R1.3 OC1=NC=C(F)C=C1 MC429397 [0,1,0,0,0,1|2,0,0]=4 659 B8R1.3 OC1=NC=C(I)C=C1 CS13623 [0,1,0,0,0,1|2,0,0]=4 660 B8R1.3 SC1=CC=C(Br)C=C1 MC20198 [0,1,0,0,0,1|2,0,0]=4 661 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 CS22699 [0,1,0,0,0,1|2,0,0]=4 662 B8R1.4 BrC1=CC(Br)=NC=C1 CS15110 [0,1,0,0,0,1|2,0,0]=4 663 B8R1.4 BrC1=CC(Br)=NC=N1 CS22500 [0,1,0,0,0,1|2,0,0]=4 664 B8R1.4 BrC1=CC(I)=CC=C1 MC433479 [0,1,0,0,0,1|2,0,0]=4 665 B8R1.4 BrC1=CC(I)=CN=C1 CS13981 [0,1,0,0,0,1|2,0,0]=4 666 B8R1.4 BrC1=CC=CC(Br)=C1 CS19814 [0,1,0,0,0,1|2,0,0]=4 667 B8R1.4 BrC1=CC=CC(Br)=N1 CS21793 [0,1,0,0,0,1|2,0,0]=4 668 B8R1.4 BrC1=CN=CC(Br)=C1 CS21896 [0,1,0,0,0,1|2,0,0]=4 669 B8R1.4 BrC1=CN=CC(Br)=N1 CS12199 [0,1,0,0,0,1|2,0,0]=4 670 B8R1.4 BrC1=CN=NC(Br)=C1 MC33339 [0,1,0,0,0,1|2,0,0]=4 671 B8R1.4 BrC1=NC(Br)=NC=C1 CS10554 [0,1,0,0,0,1|2,0,0]=4 672 B8R1.4 BrC1=NC=CC(I)=C1 CS17279 [0,1,0,0,0,1|2,0,0]=4 673 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,1,0,0,0,1|2,0,0]=4 674 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,1,0,0,0,1|1,0,0]=3 675 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [0,1,0,0,0,1|1,0,0]=3 676 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,1,0,0,0,1|1,0,0]=3 677 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,1,0,0,0,1|1,0,0]=3 678 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,1,0,0,0,1|1,0,0]=3 679 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [0,1,0,0,0,1|1,0,0]=3 680 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,1,0,0,0,1|1,0,0]=3 681 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,1,0,0,0,1|1,0,0]=3 682 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [0,1,0,0,0,1|1,0,0]=3 683 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,1,0,0,0,1|1,0,0]=3 684 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,1,0,0,0,1|1,0,0]=3 686 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,1,0,0,0,1|1,0,0]=3 687 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [0,1,0,0,0,1|1,0,0]=3 688 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,1,0,0,0,1|1,0,0]=3 689 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [0,1,0,0,0,1|1,0,0]=3 690 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [0,1,0,0,0,1|1,0,0]=3 691 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [0,1,0,0,0,1|1,0,0]=3 693 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [0,1,0,0,0,1|1,0,0]=3 695 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [0,1,0,0,0,1|1,0,0]=3 697 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,1,0,0,0,1|1,0,0]=3 698 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,1,0,0,0,1|1,0,0]=3 699 B8R1.4 CC1=CC=C[N+]([O-])=C1 MC41624 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.4 CC1=CN=CC(Br)=N1 MC429040 [0,1,0,0,0,1|1,0,0]=3 702 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,1,0,0,0,1|1,0,0]=3 703 B8R1.4 CC1=CN=CC(Cl)=N1 CS21486 [0,1,0,0,0,1|1,0,0]=3 704 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,1,0,0,0,1|1,0,0]=3 705 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,1,0,0,0,1|1,0,0]=3 706 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,1,0,0,0,1|1,0,0]=3 707 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [0,1,0,0,0,1|1,0,0]=3 708 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,1,0,0,0,1|1,0,0]=3 709 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [0,1,0,0,0,1|1,0,0]=3 710 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,1,0,0,0,1|1,0,0]=3 711 B8R1.4 CC1=CN=NC(Cl)=C1 MC444261 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.4 CC1=CN=NC(N)=C1 MC427168 [0,1,0,0,0,1|2,0,0]=4 713 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [0,1,0,0,0,1|1,0,0]=3 714 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [0,1,0,0,0,1|1,0,0]=3 715 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [0,1,0,0,0,1|1,0,0]=3 716 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,1,0,0,0,1|1,0,0]=3 717 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,1,0,0,0,1|1,0,0]=3 718 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,1,0,0,0,1|1,0,0]=3 719 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [0,1,0,0,0,1|1,0,0]=3 720 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,1,0,0,0,1|1,0,0]=3 721 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,1,0,0,0,1|1,0,0]=3 722 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,1,0,0,0,1|1,0,0]=3 723 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [0,1,0,0,0,1|1,0,0]=3 724 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,1,0,0,0,1|1,0,0]=3 725 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [0,1,0,0,0,1|1,0,0]=3 726 B8R1.4 ClC1=CC(Br)=NC=C1 CS13973 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.4 ClC1=CC(Br)=NC=N1 MC442087 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.4 ClC1=CC(Cl)=NC=C1 CS17291 [0,1,0,0,0,1|2,0,0]=4 729 B8R1.4 ClC1=CC(Cl)=NC=N1 CS21954 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.4 ClC1=CC(I)=CC=C1 CS20663 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.4 ClC1=CC(I)=NC=C1 CS15413 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.4 ClC1=CC=CC(Br)=C1 CS22170 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.4 ClC1=CC=CC(Br)=N1 CS14668 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.4 ClC1=CC=CC(Cl)=N1 CS18899 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.4 ClC1=CN=CC(Br)=C1 CS15808 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.4 ClC1=CN=CC(Br)=N1 MC33389 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.4 ClC1=CN=CC(Cl)=C1 CS14008 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.4 ClC1=CN=CC(Cl)=N1 CS22559 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.4 ClC1=CN=NC(Cl)=C1 CS21984 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.4 ClC1=NC(Cl)=NC=C1 CS22557 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.4 ClC1=NC(I)=CC=C1 MC41607 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.4 ClC1=NC=CC(Br)=C1 CS21986 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.4 ClC1=NC=CC(Br)=N1 MC21047 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.4 ClC1=NC=CC(I)=C1 CS22695 [0,1,0,0,0,1|2,0,0]=4 745 B8R1.4 ClC1=NC=NC(I)=C1 MC442088 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.4 FC1=CC(Br)=CN=C1 CS22034 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.4 FC1=CC(Br)=NC=C1 CS14190 [0,1,0,0,0,1|2,0,0]=4 748 B8R1.4 FC1=CC(Cl)=NC=C1 CS17300 [0,1,0,0,0,1|2,0,0]=4 749 B8R1.4 FC1=CC(F)=NC=C1 CS19909 [0,1,0,0,0,1|2,0,0]=4 750 B8R1.4 FC1=CC(F)=NC=N1 MC41646 [0,1,0,0,0,1|2,0,0]=4 751 B8R1.4 FC1=CC(I)=CC=C1 CS18882 [0,1,0,0,0,1|2,0,0]=4 752 B8R1.4 FC1=CC(I)=CN=C1 CS18467 [0,1,0,0,0,1|2,0,0]=4 753 B8R1.4 FC1=CC=CC(Br)=C1 MC41467 [0,1,0,0,0,1|2,0,0]=4 754 B8R1.4 FC1=CC=CC(Br)=N1 CS13708 [0,1,0,0,0,1|2,0,0]=4 755 B8R1.4 FC1=CC=CC(Cl)=C1 MC41473 [0,1,0,0,0,1|2,0,0]=4 756 B8R1.4 FC1=CC=CC(Cl)=N1 CS18859 [0,1,0,0,0,1|2,0,0]=4 757 B8R1.4 FC1=CC=CC(F)=N1 CS18752 [0,1,0,0,0,1|2,0,0]=4 758 B8R1.4 FC1=CC=CC(S)=C1 MC20298 [0,1,0,0,0,1|2,0,0]=4 759 B8R1.4 FC1=CN=CC(Cl)=C1 CS19936 [0,1,0,0,0,1|2,0,0]=4 760 B8R1.4 FC1=CN=CC(F)=C1 CS13374 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.4 FC1=NC(Br)=CC=C1 MC429392 [0,1,0,0,0,1|2,0,0]=4 762 B8R1.4 FC1=NC(Cl)=NC=C1 MC429933 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.4 FC1=NC(F)=NC=C1 MC429251 [0,1,0,0,0,1|2,0,0]=4 764 B8R1.4 FC1=NC=CC(Br)=C1 CS17277 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.4 FC1=NC=CC(Cl)=C1 CS14178 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.4 FC1=NC=CC(I)=C1 CS13375 [0,1,0,0,0,1|2,0,0]=4 767 B8R1.4 IC1=CC=CC(I)=C1 MC433521 [0,1,0,0,0,1|2,0,0]=4 768 B8R1.4 IC1=CC=CC(I)=N1 CS18354 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.4 NC1=CC(=O)NN=C1 MC104083 [0,1,0,0,0,1|2,0,0]=4 770 B8R1.4 NC1=CC(Br)=CC=C1 CS19169 [0,1,0,0,0,1|2,0,0]=4 771 B8R1.4 NC1=CC(Br)=CN=C1 CS22730 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.4 NC1=CC(Br)=CN=N1 MC103242 [0,1,0,0,0,1|2,0,0]=4 773 B8R1.4 NC1=CC(Br)=NC=C1 CS21962 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.4 NC1=CC(Br)=NC=C1 MC425916 [0,1,0,0,0,1|2,0,0]=4 775 B8R1.4 NC1=CC(Cl)=CC=C1 CS22234 [0,1,0,0,0,1|2,0,0]=4 776 B8R1.4 NC1=CC(Cl)=CN=C1 MC31090 [0,1,0,0,0,1|2,0,0]=4 777 B8R1.4 NC1=CC(Cl)=CN=C1 MC442692 [0,1,0,0,0,1|2,0,0]=4 778 B8R1.4 NC1=CC(Cl)=CN=N1 MC103570 [0,1,0,0,0,1|2,0,0]=4 779 B8R1.4 NC1=CC(Cl)=NC=C1 CS21964 [0,1,0,0,0,1|2,0,0]=4 780 B8R1.4 NC1=CC(F)=CC=C1 CS19913 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.4 NC1=CC(F)=CN=C1 CS13934 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.4 NC1=CC(F)=NC=C1 CS13865 [0,1,0,0,0,1|2,0,0]=4 783 B8R1.4 NC1=CC(I)=CC=C1 CS19215 [0,1,0,0,0,1|2,0,0]=4 784 B8R1.4 NC1=CC(I)=CN=C1 MC431279 [0,1,0,0,0,1|2,0,0]=4 785 B8R1.4 NC1=CC(N)=NC=C1 CS11909 [0,1,0,0,0,1|2,0,0]=4 786 B8R1.4 NC1=CC(N)=NC=N1 MC425881 [0,1,0,0,0,1|2,0,0]=4 787 B8R1.4 NC1=CC(O)=NC=C1 CS18280 [0,1,0,0,0,1|2,0,0]=4 788 B8R1.4 NC1=CC(O)=NC=C1 MC41598 [0,1,0,0,0,1|2,0,0]=4 789 B8R1.4 NC1=CC=CC(=O)N1 CS22760 [0,1,0,0,0,1|2,0,0]=4 790 B8R1.4 NC1=CC=CC(N)=C1 MC40944 [0,1,0,0,0,1|2,0,0]=4 791 B8R1.4 NC1=CC=CC(N)=N1 CS13686 [0,1,0,0,0,1|2,0,0]=4 792 B8R1.4 NC1=CC=CC(O)=C1 MC41145 [0,1,0,0,0,1|2,0,0]=4 793 B8R1.4 NC1=CC=NC(=O)N1 MC114510 [0,1,0,0,0,1|2,0,0]=4 794 B8R1.4 NC1=CN=CC(F)=C1 MC430057 [0,1,0,0,0,1|2,0,0]=4 795 B8R1.4 NC1=CN=CC(N)=C1 CS21958 [0,1,0,0,0,1|2,0,0]=4 796 B8R1.4 NC1=CN=CC(N)=N1 CS15121 [0,1,0,0,0,1|2,0,0]=4 797 B8R1.4 NC1=CN=CC(N)=N1 MC100335 [0,1,0,0,0,1|2,0,0]=4 798 B8R1.4 NC1=CN=CC(O)=C1 CS12372 [0,1,0,0,0,1|2,0,0]=4 799 B8R1.4 NC1=CN=CC(O)=C1 CS22080 [0,1,0,0,0,1|2,0,0]=4 800 B8R1.4 NC1=CN=NC(Br)=C1 MC116221 [0,1,0,0,0,1|2,0,0]=4 801 B8R1.4 NC1=CN=NC(Cl)=C1 CS13017 [0,1,0,0,0,1|2,0,0]=4 802 B8R1.4 NC1=NC(=O)NC=C1 CS22211 [0,1,0,0,0,1|2,0,0]=4 803 B8R1.4 NC1=NC(Br)=CC=C1 CS17641 [0,1,0,0,0,1|2,0,0]=4 804 B8R1.4 NC1=NC(Br)=NC=C1 MC442843 [0,1,0,0,0,1|2,0,0]=4 805 B8R1.4 NC1=NC(Cl)=CC=C1 CS17675 [0,1,0,0,0,1|2,0,0]=4 806 B8R1.4 NC1=NC(Cl)=CN=C1 MC20457 [0,1,0,0,0,1|2,0,0]=4 807 B8R1.4 NC1=NC(Cl)=NC=C1 CS22581 [0,1,0,0,0,1|2,0,0]=4 808 B8R1.4 NC1=NC(F)=CC=C1 CS17727 [0,1,0,0,0,1|2,0,0]=4 809 B8R1.4 NC1=NC(N)=NC=C1 CS22603 [0,1,0,0,0,1|2,0,0]=4 810 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [0,1,0,0,0,1|2,0,0]=4 811 B8R1.4 NC1=NC=CC(Br)=C1 CS16114 [0,1,0,0,0,1|2,0,0]=4 812 B8R1.4 NC1=NC=CC(Br)=N1 MC442842 [0,1,0,0,0,1|2,0,0]=4 813 B8R1.4 NC1=NC=CC(Cl)=C1 CS17669 [0,1,0,0,0,1|2,0,0]=4 814 B8R1.4 NC1=NC=CC(Cl)=N1 CS15619 [0,1,0,0,0,1|2,0,0]=4 815 B8R1.4 NC1=NC=CC(F)=C1 CS21251 [0,1,0,0,0,1|2,0,0]=4 816 B8R1.4 NC1=NC=CC(F)=N1 MC104377 [0,1,0,0,0,1|2,0,0]=4 817 B8R1.4 NC1=NC=CC(I)=C1 MC425094 [0,1,0,0,0,1|2,0,0]=4 818 B8R1.4 NC1=NC=CC(I)=N1 CS12109 [0,1,0,0,0,1|2,0,0]=4 819 B8R1.4 NC1=NC=CC(O)=C1 CS14161 [0,1,0,0,0,1|2,0,0]=4 820 B8R1.4 NC1=NC=NC(Br)=C1 CS12354 [0,1,0,0,0,1|2,0,0]=4 821 B8R1.4 NC1=NC=NC(Cl)=C1 CS15652 [0,1,0,0,0,1|2,0,0]=4 822 B8R1.4 NC1=NC=NC(I)=C1 CS12484 [0,1,0,0,0,1|2,0,0]=4 823 B8R1.4 NC1=NC=NC(O)=C1 CS22588 [0,1,0,0,0,1|2,0,0]=4 824 B8R1.4 O=C1C=C(Cl)C=NN1 CS12688 [0,1,0,0,0,1|2,0,0]=4 825 B8R1.4 O=C1C=C(I)C=CN1 CS22900 [0,1,0,0,0,1|2,0,0]=4 826 B8R1.4 O=C1C=C(I)C=NN1 CS12955 [0,1,0,0,0,1|2,0,0]=4 827 B8R1.4 O=C1C=C(O)C=CN1 CS19356 [0,1,0,0,0,1|2,0,0]=4 828 B8R1.4 O=C1C=CC=C(Cl)N1 CS10672 [0,1,0,0,0,1|2,0,0]=4 829 B8R1.4 O=C1C=CNC(=O)N1 CS19249 [0,1,0,0,0,1|2,0,0]=4 830 B8R1.4 OC1=CC(Br)=CC=C1 CS15169 [0,1,0,0,0,1|2,0,0]=4 831 B8R1.4 OC1=CC(Br)=CN=C1 CS17456 [0,1,0,0,0,1|2,0,0]=4 832 B8R1.4 OC1=CC(Br)=NC=C1 CS14221 [0,1,0,0,0,1|2,0,0]=4 833 B8R1.4 OC1=CC(Cl)=CC=C1 CS19764 [0,1,0,0,0,1|2,0,0]=4 834 B8R1.4 OC1=CC(Cl)=NC=C1 CS22712 [0,1,0,0,0,1|2,0,0]=4 835 B8R1.4 OC1=CC(F)=CC=C1 CS19021 [0,1,0,0,0,1|2,0,0]=4 836 B8R1.4 OC1=CC(F)=CN=C1 CS13932 [0,1,0,0,0,1|2,0,0]=4 837 B8R1.4 OC1=CC(I)=CC=C1 CS19969 [0,1,0,0,0,1|2,0,0]=4 838 B8R1.4 OC1=CC(O)=NC=N1 CS15744 [0,1,0,0,0,1|2,0,0]=4 839 B8R1.4 OC1=CC=CC(S)=C1 MC20381 [0,1,0,0,0,1|2,0,0]=4 840 B8R1.4 OC1=CN=CC(Cl)=C1 MC41606 [0,1,0,0,0,1|2,0,0]=4 841 B8R1.4 OC1=CN=CC(O)=C1 CS21992 [0,1,0,0,0,1|2,0,0]=4 842 B8R1.4 OC1=CN=NC(Cl)=C1 MC107685 [0,1,0,0,0,1|2,0,0]=4 843 B8R1.4 OC1=NC(Br)=CC=C1 CS14076 [0,1,0,0,0,1|2,0,0]=4 844 B8R1.4 OC1=NC(Cl)=CN=C1 CS12934 [0,1,0,0,0,1|2,0,0]=4 845 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [0,1,0,0,0,1|2,0,0]=4 846 B8R1.4 OC1=NC=CC(Br)=C1 CS14220 [0,1,0,0,0,1|2,0,0]=4 847 B8R1.4 OC1=NC=CC(Cl)=C1 CS18294 [0,1,0,0,0,1|2,0,0]=4 848 B8R1.4 OC1=NC=CC(F)=C1 CS21583 [0,1,0,0,0,1|2,0,0]=4 849 B8R1.4 OC1=NC=NC(Br)=C1 CS14406 [0,1,0,0,0,1|2,0,0]=4 850 B8R1.4 OC1=NC=NC(Cl)=C1 CS22568 [0,1,0,0,0,1|2,0,0]=4 851 B8R1.4 [O-][N+]1=CC(Cl)=CC=C1 MC442468 [0,1,0,0,0,1|2,0,0]=4 852 B8R1.4 [O-][N+]1=CC(F)=CC=C1 MC433049 [0,1,0,0,0,1|2,0,0]=4 853 B8R1.5 BrC1=C(Br)C=CC=C1 CS19765 [0,1,0,0,0,1|2,0,0]=4 854 B8R1.5 BrC1=C(Br)C=NC=C1 CS13628 [0,1,0,0,0,1|2,0,0]=4 855 B8R1.5 BrC1=C(I)C=CC=C1 CS19157 [0,1,0,0,0,1|2,0,0]=4 856 B8R1.5 BrC1=CC=CN=C1Br CS22670 [0,1,0,0,0,1|2,0,0]=4 857 B8R1.5 BrC1=NC=CC=C1I MC110926 [0,1,0,0,0,1|2,0,0]=4 858 B8R1.5 BrC1=NC=CN=C1Br CS12573 [0,1,0,0,0,1|2,0,0]=4 859 B8R1.5 CC1=C(Br)C=CC=C1 MC20187 [0,1,0,0,0,1|1,0,0]=3 860 B8R1.5 CC1=C(Br)C=CN=C1 CS13416 [0,1,0,0,0,1|1,0,0]=3 861 B8R1.5 CC1=C(Br)C=NC=C1 CS21916 [0,1,0,0,0,1|1,0,0]=3 862 B8R1.5 CC1=C(Cl)C=CC=C1 CS20009 [0,1,0,0,0,1|1,0,0]=3 863 B8R1.5 CC1=C(Cl)C=CN=C1 CS18038 [0,1,0,0,0,1|1,0,0]=3 864 B8R1.5 CC1=C(Cl)C=NC=C1 CS15751 [0,1,0,0,0,1|1,0,0]=3 865 B8R1.5 CC1=C(Cl)N=NC=C1 MC444260 [0,1,0,0,0,1|2,0,0]=4 866 B8R1.5 CC1=C(F)C=CC=C1 MC41519 [0,1,0,0,0,1|1,0,0]=3 867 B8R1.5 CC1=C(F)C=CN=C1 MC433051 [0,1,0,0,0,1|1,0,0]=3 868 B8R1.5 CC1=C(F)C=NC=C1 CS19332 [0,1,0,0,0,1|1,0,0]=3 869 B8R1.5 CC1=C(I)C=CC=C1 CS19198 [0,1,0,0,0,1|1,0,0]=3 870 B8R1.5 CC1=C(N)C=CN=C1 CS19521 [0,1,0,0,0,1|1,0,0]=3 871 B8R1.5 CC1=C(N)C=NC=C1 CS21907 [0,1,0,0,0,1|1,0,0]=3 872 B8R1.5 CC1=C(O)C=CN=C1 CS13965 [0,1,0,0,0,1|1,0,0]=3 873 B8R1.5 CC1=C(O)C=NC=C1 CS22316 [0,1,0,0,0,1|1,0,0]=3 874 B8R1.5 CC1=CC=CC=C1C MC41549 [0,1,0,0,0,1|1,0,0]=3 875 B8R1.5 CC1=CC=CC=C1N CS20592 [0,1,0,0,0,1|1,0,0]=3 876 B8R1.5 CC1=CC=CC=C1O CS11813 [0,1,0,0,0,1|1,0,0]=3 877 B8R1.5 CC1=CC=CN=C1Br CS23002 [0,1,0,0,0,1|1,0,0]=3 878 B8R1.5 CC1=CC=CN=C1C CS21050 [0,1,0,0,0,1|1,0,0]=3 879 B8R1.5 CC1=CC=CN=C1Cl CS13857 [0,1,0,0,0,1|1,0,0]=3 880 B8R1.5 CC1=CC=CN=C1F CS19328 [0,1,0,0,0,1|1,0,0]=3 881 B8R1.5 CC1=CC=CN=C1N CS13775 [0,1,0,0,0,1|1,0,0]=3 882 B8R1.5 CC1=CC=CN=C1O CS19498 [0,1,0,0,0,1|1,0,0]=3 883 B8R1.5 CC1=CN=CN=C1Br CS12572 [0,1,0,0,0,1|2,0,0]=4 884 B8R1.5 CC1=CN=CN=C1Cl CS19938 [0,1,0,0,0,1|2,0,0]=4 885 B8R1.5 CC1=CN=CN=C1N CS12501 [0,1,0,0,0,1|2,0,0]=4 886 B8R1.5 CC1=CN=CN=C1O CS10459 [0,1,0,0,0,1|2,0,0]=4 887 B8R1.5 CC1=NC=CC=C1Br MC20012 [0,1,0,0,0,1|1,0,0]=3 888 B8R1.5 CC1=NC=CC=C1Cl MC425470 [0,1,0,0,0,1|1,0,0]=3 889 B8R1.5 CC1=NC=CC=C1F CS19850 [0,1,0,0,0,1|1,0,0]=3 890 B8R1.5 CC1=NC=CC=C1N CS19518 [0,1,0,0,0,1|1,0,0]=3 891 B8R1.5 CC1=NC=CC=C1O MC20374 [0,1,0,0,0,1|1,0,0]=3 892 B8R1.5 CC1=NC=CN=C1Br CS12416 [0,1,0,0,0,1|1,0,0]=3 893 B8R1.5 CC1=NC=CN=C1C CS10108 [0,1,0,0,0,1|1,0,0]=3 894 B8R1.5 CC1=NC=CN=C1Cl CS17680 [0,1,0,0,0,1|1,0,0]=3 895 B8R1.5 CC1=NC=CN=C1N CS21232 [0,1,0,0,0,1|1,0,0]=3 896 B8R1.5 CC1=NC=CN=C1O CS21577 [0,1,0,0,0,1|1,0,0]=3 897 B8R1.5 CC1=NC=NC=C1Br CS11920 [0,1,0,0,0,1|1,0,0]=3 898 B8R1.5 CC1=NC=NC=C1I CS12766 [0,1,0,0,0,1|1,0,0]=3 899 B8R1.5 CC1=NC=NC=C1N CS19908 [0,1,0,0,0,1|1,0,0]=3 900 B8R1.5 C[N+]1=C(Cl)C=CC=C1 CS19467 [0,1,0,0,0,1|2,0,0]=4 901 B8R1.5 ClC1=C(Br)C=CC=C1 CS21391 [0,1,0,0,0,1|2,0,0]=4 902 B8R1.5 ClC1=C(Br)C=CN=C1 CS15809 [0,1,0,0,0,1|2,0,0]=4 903 B8R1.5 ClC1=C(Cl)C=CC=C1 MC41478 [0,1,0,0,0,1|2,0,0]=4 904 B8R1.5 ClC1=C(Cl)C=NC=C1 CS14992 [0,1,0,0,0,1|2,0,0]=4 905 B8R1.5 ClC1=C(Cl)N=NC=C1 MC102217 [0,1,0,0,0,1|2,0,0]=4 906 B8R1.5 ClC1=C(I)C=CN=C1 CS17639 [0,1,0,0,0,1|2,0,0]=4 907 B8R1.5 ClC1=C(I)C=CN=C1 CS19993 [0,1,0,0,0,1|2,0,0]=4 908 B8R1.5 ClC1=C(I)C=NC=C1 CS17640 [0,1,0,0,0,1|2,0,0]=4 909 B8R1.5 ClC1=CC=CN=C1Br CS17272 [0,1,0,0,0,1|2,0,0]=4 910 B8R1.5 ClC1=CC=CN=C1Cl CS13373 [0,1,0,0,0,1|2,0,0]=4 911 B8R1.5 ClC1=NC=CC=C1Br CS22671 [0,1,0,0,0,1|2,0,0]=4 912 B8R1.5 ClC1=NC=CC=C1I CS22694 [0,1,0,0,0,1|2,0,0]=4 913 B8R1.5 ClC1=NC=NC=C1Br CS22769 [0,1,0,0,0,1|2,0,0]=4 914 B8R1.5 ClC1=NC=NC=C1I CS19722 [0,1,0,0,0,1|2,0,0]=4 915 B8R1.5 FC1=C(Br)C=CC=C1 CS19658 [0,1,0,0,0,1|2,0,0]=4 916 B8R1.5 FC1=C(Br)C=CN=C1 MC429590 [0,1,0,0,0,1|2,0,0]=4 917 B8R1.5 FC1=C(Br)C=NC=C1 CS13534 [0,1,0,0,0,1|2,0,0]=4 918 B8R1.5 FC1=C(Cl)C=CC=C1 MC429398 [0,1,0,0,0,1|2,0,0]=4 919 B8R1.5 FC1=C(Cl)C=CN=C1 MC429592 [0,1,0,0,0,1|2,0,0]=4 920 B8R1.5 FC1=C(F)C=CC=C1 CS20490 [0,1,0,0,0,1|2,0,0]=4 921 B8R1.5 FC1=C(F)C=NC=C1 MC431362 [0,1,0,0,0,1|2,0,0]=4 922 B8R1.5 FC1=C(I)C=CC=C1 MC429560 [0,1,0,0,0,1|2,0,0]=4 923 B8R1.5 FC1=C(I)C=CN=C1 CS18172 [0,1,0,0,0,1|2,0,0]=4 924 B8R1.5 FC1=C(S)C=CC=C1 MC429404 [0,1,0,0,0,1|2,0,0]=4 925 B8R1.5 FC1=CC=CN=C1Br CS14296 [0,1,0,0,0,1|2,0,0]=4 926 B8R1.5 FC1=CC=CN=C1Cl CS17308 [0,1,0,0,0,1|2,0,0]=4 927 B8R1.5 FC1=CC=CN=C1F CS18753 [0,1,0,0,0,1|2,0,0]=4 928 B8R1.5 FC1=CN=CN=C1Cl CS11918 [0,1,0,0,0,1|2,0,0]=4 929 B8R1.5 FC1=NC=CC=C1Br CS14198 [0,1,0,0,0,1|2,0,0]=4 930 B8R1.5 FC1=NC=CC=C1Cl CS18743 [0,1,0,0,0,1|2,0,0]=4 931 B8R1.5 FC1=NC=CC=C1I CS21866 [0,1,0,0,0,1|2,0,0]=4 932 B8R1.5 IC1=C(I)C=CC=C1 MC41488 [0,1,0,0,0,1|2,0,0]=4 933 B8R1.5 NC1=C(Br)C=CC=C1 CS19197 [0,1,0,0,0,1|2,0,0]=4 934 B8R1.5 NC1=C(Br)C=CN=C1 CS13987 [0,1,0,0,0,1|2,0,0]=4 935 B8R1.5 NC1=C(Br)C=NC=C1 CS21968 [0,1,0,0,0,1|2,0,0]=4 936 B8R1.5 NC1=C(Cl)C=CC=C1 CS19766 [0,1,0,0,0,1|2,0,0]=4 937 B8R1.5 NC1=C(Cl)C=CN=C1 CS22737 [0,1,0,0,0,1|2,0,0]=4 938 B8R1.5 NC1=C(Cl)C=NC=C1 CS13897 [0,1,0,0,0,1|2,0,0]=4 939 B8R1.5 NC1=C(F)C=CC=C1 MC40915 [0,1,0,0,0,1|2,0,0]=4 940 B8R1.5 NC1=C(F)C=CN=C1 MC106328 [0,1,0,0,0,1|2,0,0]=4 941 B8R1.5 NC1=C(F)C=NC=C1 CS13971 [0,1,0,0,0,1|2,0,0]=4 942 B8R1.5 NC1=C(I)C=CC=C1 CS23020 [0,1,0,0,0,1|2,0,0]=4 943 B8R1.5 NC1=C(I)C=CN=C1 CS17808 [0,1,0,0,0,1|2,0,0]=4 944 B8R1.5 NC1=C(I)C=NC=C1 CS18532 [0,1,0,0,0,1|2,0,0]=4 945 B8R1.5 NC1=C(N)C=NC=C1 CS22778 [0,1,0,0,0,1|2,0,0]=4 946 B8R1.5 NC1=C(O)C=CC=C1 CS21309 [0,1,0,0,0,1|2,0,0]=4 947 B8R1.5 NC1=C(O)C=CN=C1 MC427456 [0,1,0,0,0,1|2,0,0]=4 948 B8R1.5 NC1=C(O)C=NC=C1 CS14741 [0,1,0,0,0,1|2,0,0]=4 949 B8R1.5 NC1=C(S)C=CC=C1 MC41400 [0,1,0,0,0,1|2,0,0]=4 950 B8R1.5 NC1=C(S)C=CN=C1 MC427552 [0,1,0,0,0,1|2,0,0]=4 951 B8R1.5 NC1=C(S)C=NC=C1 MC427410 [0,1,0,0,0,1|2,0,0]=4 952 B8R1.5 NC1=CC=CC=C1N CS11822 [0,1,0,0,0,1|2,0,0]=4 953 B8R1.5 NC1=CC=CN=C1Br CS22729 [0,1,0,0,0,1|2,0,0]=4 954 B8R1.5 NC1=CC=CN=C1Cl CS17686 [0,1,0,0,0,1|2,0,0]=4 955 B8R1.5 NC1=CC=CN=C1F CS22742 [0,1,0,0,0,1|2,0,0]=4 956 B8R1.5 NC1=CC=CN=C1I CS18159 [0,1,0,0,0,1|2,0,0]=4 957 B8R1.5 NC1=CC=CN=C1N CS21785 [0,1,0,0,0,1|2,0,0]=4 958 B8R1.5 NC1=CC=CNC1=O CS15503 [0,1,0,0,0,1|2,0,0]=4 959 B8R1.5 NC1=CC=CNC1=S CS20821 [0,1,0,0,0,1|2,0,0]=4 960 B8R1.5 NC1=CC=NNC1=O CS15772 [0,1,0,0,0,1|2,0,0]=4 961 B8R1.5 NC1=CN=CN=C1Br CS12371 [0,1,0,0,0,1|2,0,0]=4 962 B8R1.5 NC1=CN=CN=C1Cl CS10217 [0,1,0,0,0,1|2,0,0]=4 963 B8R1.5 NC1=CN=CN=C1N MC10418 [0,1,0,0,0,1|2,0,0]=4 964 B8R1.5 NC1=NC=CC=C1Br CS17634 [0,1,0,0,0,1|2,0,0]=4 965 B8R1.5 NC1=NC=CC=C1Cl CS17664 [0,1,0,0,0,1|2,0,0]=4 966 B8R1.5 NC1=NC=CC=C1F CS13951 [0,1,0,0,0,1|2,0,0]=4 967 B8R1.5 NC1=NC=CC=C1I CS13464 [0,1,0,0,0,1|2,0,0]=4 968 B8R1.5 NC1=NC=CC=C1O CS22765 [0,1,0,0,0,1|2,0,0]=4 969 B8R1.5 NC1=NC=CC=C1S MC110834 [0,1,0,0,0,1|2,0,0]=4 970 B8R1.5 NC1=NC=CN=C1Br CS21229 [0,1,0,0,0,1|2,0,0]=4 971 B8R1.5 NC1=NC=CN=C1Cl CS18423 [0,1,0,0,0,1|2,0,0]=4 972 B8R1.5 NC1=NC=CN=C1I CS12456 [0,1,0,0,0,1|2,0,0]=4 973 B8R1.5 NC1=NC=CN=C1O CS21231 [0,1,0,0,0,1|2,0,0]=4 974 B8R1.5 NC1=NC=NC=C1Br CS18005 [0,1,0,0,0,1|2,0,0]=4 975 B8R1.5 NC1=NC=NC=C1Cl CS12255 [0,1,0,0,0,1|2,0,0]=4 976 B8R1.5 NC1=NC=NC=C1F CS12828 [0,1,0,0,0,1|2,0,0]=4 977 B8R1.5 NC1=NC=NC=C1O CS16658 [0,1,0,0,0,1|2,0,0]=4 978 B8R1.5 O=C1C=COC=C1O CS16007 [0,1,0,0,0,1|1,0,0]=3 979 B8R1.5 O=C1N=CNC=C1Br CS10567 [0,1,0,0,0,1|2,0,0]=4 980 B8R1.5 O=C1N=CNC=C1Br CS12515 [0,1,0,0,0,1|2,0,0]=4 981 B8R1.5 O=C1NC=CC=C1Cl CS13621 [0,1,0,0,0,1|2,0,0]=4 982 B8R1.5 O=C1NC=CC=C1F CS13754 [0,1,0,0,0,1|2,0,0]=4 983 B8R1.5 O=C1NC=CC=C1I CS16075 [0,1,0,0,0,1|2,0,0]=4 984 B8R1.5 O=C1NC=CC=C1O CS22752 [0,1,0,0,0,1|2,0,0]=4 985 B8R1.5 O=C1NC=NC=C1O CS15721 [0,1,0,0,0,1|2,0,0]=4 986 B8R1.5 O=C1NN=CC=C1Cl CS15942 [0,1,0,0,0,1|2,0,0]=4 987 B8R1.5 O=C1OC=CC=C1O CS22311 [0,1,0,0,0,1|1,0,0]=3 988 B8R1.5 OC1=C(Br)C=CC=C1 CS19429 [0,1,0,0,0,1|2,0,0]=4 989 B8R1.5 OC1=C(Br)C=CN=C1 CS13781 [0,1,0,0,0,1|2,0,0]=4 990 B8R1.5 OC1=C(Br)C=NC=C1 CS14222 [0,1,0,0,0,1|2,0,0]=4 991 B8R1.5 OC1=C(Cl)C=CC=C1 MC41174 [0,1,0,0,0,1|2,0,0]=4 992 B8R1.5 OC1=C(Cl)C=CN=C1 CS16383 [0,1,0,0,0,1|2,0,0]=4 993 B8R1.5 OC1=C(Cl)C=NC=C1 CS16225 [0,1,0,0,0,1|2,0,0]=4 994 B8R1.5 OC1=C(F)C=CC=C1 MC20096 [0,1,0,0,0,1|2,0,0]=4 995 B8R1.5 OC1=C(F)C=NC=C1 CS22284 [0,1,0,0,0,1|2,0,0]=4 996 B8R1.5 OC1=C(I)C=CC=C1 MC20193 [0,1,0,0,0,1|2,0,0]=4 997 B8R1.5 OC1=C(I)C=CN=C1 CS12130 [0,1,0,0,0,1|2,0,0]=4 998 B8R1.5 OC1=C(I)C=NC=C1 MC425611 [0,1,0,0,0,1|2,0,0]=4 999 B8R1.5 OC1=CC=CC=C1O CS11109 [0,1,0,0,0,1|2,0,0]=4 1000 B8R1.5 OC1=CC=CN=C1Br CS17449 [0,1,0,0,0,1|2,0,0]=4 1001 B8R1.5 OC1=CC=CN=C1Cl CS17508 [0,1,0,0,0,1|2,0,0]=4 1002 B8R1.5 OC1=CC=CN=C1F CS13836 [0,1,0,0,0,1|2,0,0]=4 1003 B8R1.5 OC1=CC=CN=C1I CS14294 [0,1,0,0,0,1|2,0,0]=4 1004 B8R1.5 OC1=NC=CC=C1Br CS18703 [0,1,0,0,0,1|2,0,0]=4 1005 B8R1.5 OC1=NC=NC=C1F CS22574 [0,1,0,0,0,1|2,0,0]=4 1006 B8R1.5 OC1=NC=NC=C1I CS12263 [0,1,0,0,0,1|2,0,0]=4 1007 B8R1.5 SC1=C(I)C=CC=C1 MC41410 [0,1,0,0,0,1|2,0,0]=4 1008 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 MC427271 [0,1,0,0,0,1|2,0,0]=4 1009 B8R1.5 [O-][N+]1=C(O)C=CC=C1 CS21603 [0,1,0,0,0,1|2,0,0]=4 1010 B8R1.1 BrCC1=CC(Br)=CS1 MC107253 [0,2,0,0,0,0|0,1,0]=3 1011 B8R1.1 BrCC1=NC(Br)=NO1 MC115168 [0,2,0,0,0,0|2,0,0]=4 1012 B8R1.1 Br[Mg]c1ccc(Br)s1 MC116055 [0,2,0,0,0,0|1,1,0]=4 1013 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [0,2,0,0,0,0|0,1,1]=4 1014 B8R1.1 C#CC1=CSC(Cl)=C1 MC104599 [0,2,0,0,0,0|1,1,0]=4 1015 B8R1.1 CC1=CC(C#N)=NN1 MC10461 [0,2,0,0,0,0|2,0,0]=4 1016 B8R1.1 CC1=CC(C#N)=NO1 CS10448 [0,2,0,0,0,0|1,0,0]=3 1017 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,2,0,0,0,0|0,1,0]=3 1018 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,2,0,0,0,0|2,0,0]=4 1019 B8R1.1 CC1=CC=C(C#N)N1 CS16878 [0,2,0,0,0,0|1,0,0]=3 1020 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,2,0,0,0,0|1,0,0]=3 1021 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,2,0,0,0,0|0,1,0]=3 1022 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,2,0,0,0,0|1,1,0]=4 1023 B8R1.1 CC1=CNC(C#N)=N1 CS17142 [0,2,0,0,0,0|2,0,0]=4 1024 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,2,0,0,0,0|0,0,1]=3 1025 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,2,0,0,0,0|1,0,1]=4 1026 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,2,0,0,0,0|0,0,0]=2 1027 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [0,2,0,0,0,0|2,0,0]=4 1028 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,2,0,0,0,0|2,0,0]=4 1029 B8R1.1 CC1=NC(C#N)=CS1 MC106832 [0,2,0,0,0,0|1,1,0]=4 1030 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,2,0,0,0,0|1,1,0]=4 1031 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,2,0,0,0,0|2,0,0]=4 1032 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,2,0,0,0,0|1,1,0]=4 1033 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [0,2,0,0,0,0|1,1,0]=4 1034 B8R1.1 CC1=NSC(C#N)=C1 MC116143 [0,2,0,0,0,0|2,0,0]=4 1035 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,2,0,0,0,0|2,0,0]=4 1036 B8R1.1 CCC1=NNC(N)=C1 CS18101 [0,2,0,0,0,0|2,0,0]=4 1037 B8R1.1 CCN1C=C(N)C=N1 MC21175 [0,2,0,0,0,0|2,0,0]=4 1038 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [0,2,0,0,0,0|2,0,0]=4 1039 B8R1.1 CN1C=C(CCl)C=N1 MC425489 [0,2,0,0,0,0|2,0,0]=4 1040 B8R1.1 CN1C=C(CCl)C=N1 MC425794 [0,2,0,0,0,0|2,0,0]=4 1041 B8R1.1 CN1C=C(CO)C=N1 CS19818 [0,2,0,0,0,0|2,0,0]=4 1042 B8R1.1 CN1C=CC(C#N)=N1 CS20751 [0,2,0,0,0,0|2,0,0]=4 1043 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,2,0,0,0,0|2,0,0]=4 1044 B8R1.1 CN1C=NC(CN)=C1 MC103434 [0,2,0,0,0,0|2,0,0]=4 1045 B8R1.1 CN1C=NC(CN)=C1 MC444306 [0,2,0,0,0,0|2,0,0]=4 1046 B8R1.1 CN1C=NC(CO)=C1 CS18049 [0,2,0,0,0,0|2,0,0]=4 1047 B8R1.1 CNC1=NC(N)=CS1 MC102822 [0,2,0,0,0,0|1,1,0]=4 1048 B8R1.1 COC1=CC(N)=NO1 CS18977 [0,2,0,0,0,0|1,0,0]=3 1049 B8R1.1 CSC1=NNC(N)=C1 CS16036 [0,2,0,0,0,0|2,0,0]=4 1050 B8R1.1 ClC1=NC(CBr)=CO1 MC442485 [0,2,0,0,0,0|2,0,0]=4 1051 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [0,2,0,0,0,0|0,1,0]=3 1052 B8R1.1 ClCC1=CN=C(Cl)S1 CS22566 [0,2,0,0,0,0|1,1,0]=4 1053 B8R1.1 ClCC1=CSC(Br)=N1 MC442178 [0,2,0,0,0,0|2,0,0]=4 1054 B8R1.1 N#CC1=CC(Cl)=CN1 MC115459 [0,2,0,0,0,0|1,0,1]=4 1055 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,2,0,0,0,0|0,0,1]=3 1056 B8R1.1 N#CC1=CC=C(Br)S1 CS10307 [0,2,0,0,0,0|0,1,1]=4 1057 B8R1.1 N#CC1=CC=C(N)S1 CS17201 [0,2,0,0,0,0|0,1,1]=4 1058 B8R1.1 N#CC1=COC(Br)=N1 CS17607 [0,2,0,0,0,0|2,0,0]=4 1059 B8R1.1 N#CC1=COC(Cl)=N1 CS17604 [0,2,0,0,0,0|2,0,0]=4 1060 B8R1.1 N#CC1=CSC(Br)=C1 MC104029 [0,2,0,0,0,0|1,1,0]=4 1061 B8R1.1 NC1=CC(CO)=NN1 MC444277 [0,2,0,0,0,0|2,0,0]=4 1062 B8R1.1 NC1=NC(CCl)=CS1 CS18388 [0,2,0,0,0,0|2,0,0]=4 1063 B8R1.1 NC1=NC(CO)=CS1 CS14646 [0,2,0,0,0,0|2,0,0]=4 1064 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,2,0,0,0,0|0,0,0]=2 1065 B8R1.1 NCC1=CN=C(Cl)S1 CS12616 [0,2,0,0,0,0|1,1,0]=4 1066 B8R1.1 NCC1=CN=C(Cl)S1 CS19827 [0,2,0,0,0,0|1,1,0]=4 1067 B8R1.1 NCC1=NC=C(Br)S1 MC103526 [0,2,0,0,0,0|1,1,0]=4 1068 B8R1.1 NCC1=NC=C(Br)S1 MC104137 [0,2,0,0,0,0|1,1,0]=4 1069 B8R1.1 NCC1=NC=C(Cl)S1 MC104486 [0,2,0,0,0,0|1,1,0]=4 1070 B8R1.1 NCc1cc(=O)no1 MC437997 [0,2,0,0,0,0|1,0,0]=3 1071 B8R1.1 NCc1ccc(F)s1 MC102141 [0,2,0,0,0,0|0,1,0]=3 1072 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,2,0,0,0,0|0,0,1]=3 1073 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [0,2,0,0,0,0|1,0,1]=4 1074 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [0,2,0,0,0,0|0,0,1]=3 1075 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [0,2,0,0,0,0|0,1,1]=4 1076 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [0,2,0,0,0,0|1,0,1]=4 1077 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [0,2,0,0,0,0|0,1,1]=4 1078 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [0,2,0,0,0,0|0,1,1]=4 1079 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,2,0,0,0,0|0,1,1]=4 1080 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,2,0,0,0,0|0,0,1]=3 1081 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [0,2,0,0,0,0|1,1,0]=4 1082 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [0,2,0,0,0,0|0,1,0]=3 1083 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,2,0,0,0,0|0,0,0]=2 1084 B8R1.1 OCC1=CC=C(F)S1 MC113611 [0,2,0,0,0,0|0,1,0]=3 1085 B8R1.1 OCC1=CN=C(Br)S1 CS18424 [0,2,0,0,0,0|1,1,0]=4 1086 B8R1.1 OCC1=CSC(Br)=N1 CS15600 [0,2,0,0,0,0|2,0,0]=4 1087 B8R1.1 OCC1=CSC(Cl)=C1 MC102400 [0,2,0,0,0,0|1,1,0]=4 1088 B8R1.1 OCC1=NC(Br)=CS1 MC103530 [0,2,0,0,0,0|1,1,0]=4 1089 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,2,0,0,0,0|0,0,0]=2 1090 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,2,0,0,0,0|0,1,0]=3 1091 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,2,0,0,0,0|1,0,0]=3 1092 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,2,0,0,0,0|2,0,0]=4 1093 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,2,0,0,0,0|2,0,0]=4 1094 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,2,0,0,0,0|2,0,0]=4 1095 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,2,0,0,0,0|1,0,0]=3 1096 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,2,0,0,0,0|1,1,0]=4 1097 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,2,0,0,0,0|2,0,0]=4 1098 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,2,0,0,0,0|2,0,0]=4 1099 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,2,0,0,0,0|0,0,0]=2 1100 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,2,0,0,0,0|2,0,0]=4 1101 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,2,0,0,0,0|1,1,0]=4 1102 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,2,0,0,0,0|1,1,0]=4 1103 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [0,2,0,0,0,0|1,0,1]=4 1104 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [0,2,0,0,0,0|1,0,1]=4 1105 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,2,0,0,0,0|1,0,1]=4 1106 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,2,0,0,0,0|0,0,1]=3 1107 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,2,0,0,0,0|0,1,1]=4 1108 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,2,0,0,0,0|1,0,1]=4 1109 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,2,0,0,0,0|1,0,1]=4 1110 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,2,0,0,0,0|2,0,0]=4 1111 B8R1.7 OB(O)C1=CC=CN1 MC113759 [0,2,0,0,0,0|2,0,0]=4 1112 B8R1.7 OB(O)C1=CC=CO1 CS22587 [0,2,0,0,0,0|1,0,0]=3 1113 B8R1.7 OB(O)C1=CC=CS1 CS22584 [0,2,0,0,0,0|1,1,0]=4 1114 B8R1.8 CCCC1=NC=CN1 CS14621 [0,2,0,0,0,0|2,0,0]=4 1115 B8R1.8 COCC1=NC=CN1 MC104489 [0,2,0,0,0,0|2,0,0]=4 1116 B8R1.8 N#CCC1=CC=CS1 CS22998 [0,2,0,0,0,0|0,1,0]=3 1117 B8R1.8 N#CCC1=CSC=C1 CS13644 [0,2,0,0,0,0|2,0,0]=4 1118 B8R1.8 N#CCC1=NC=CS1 MC103865 [0,2,0,0,0,0|1,1,0]=4 1119 B8R1.8 N#CCC1=NNC=C1 MC105297 [0,2,0,0,0,0|2,0,0]=4 1120 B8R1.8 NCCC1=CNC=N1 CS18264 [0,2,0,0,0,0|2,0,0]=4 1121 B8R1.8 NCCC1=CSC=C1 CS22098 [0,2,0,0,0,0|2,0,0]=4 1122 B8R1.8 NNCC1=CC=CS1 MC104512 [0,2,0,0,0,0|0,1,0]=3 1123 B8R1.8 NNCC1=CSC=C1 MC104511 [0,2,0,0,0,0|2,0,0]=4 1124 B8R1.8 O=CCC1=CC=CS1 CS17423 [0,2,0,0,0,0|0,1,0]=3 1125 B8R1.8 OCCC1=CC=CS1 CS14939 [0,2,0,0,0,0|0,1,0]=3 1126 B8R1.8 OCCC1=CNC=N1 CS18186 [0,2,0,0,0,0|2,0,0]=4 1127 B8R1.8 OCCC1=CSC=C1 CS20858 [0,2,0,0,0,0|2,0,0]=4 1128 B8R1.8 OCCC1=NC=CN1 MC431716 [0,2,0,0,0,0|2,0,0]=4 1129 B8R1.11 Br[Zn]c1sccc1Br MC121354 [0,2,0,0,0,0|1,1,0]=4 1130 B8R1.11 CC1=C(CBr)ON=C1 MC111382 [0,2,0,0,0,0|1,0,0]=3 1131 B8R1.11 CC1=C(CO)NC=N1 CS14250 [0,2,0,0,0,0|2,0,0]=4 1132 B8R1.11 CC1=CSC=C1C#N MC427492 [0,2,0,0,0,0|2,0,0]=4 1133 B8R1.11 CC1=NNC=C1C=O CS22355 [0,2,0,0,0,0|2,0,0]=4 1134 B8R1.11 CC1=NSC=C1C#N MC116152 [0,2,0,0,0,0|2,0,0]=4 1135 B8R1.11 CCC1=NNC=C1I MC106505 [0,2,0,0,0,0|2,0,0]=4 1136 B8R1.11 CCN1N=CC=C1N MC444111 [0,2,0,0,0,0|2,0,0]=4 1137 B8R1.11 CN1C=CN=C1CO CS13833 [0,2,0,0,0,0|2,0,0]=4 1138 B8R1.11 CN1N=CC=C1C=O CS18205 [0,2,0,0,0,0|2,0,0]=4 1139 B8R1.11 ClC1=C(CBr)C=CS1 CS14290 [0,2,0,0,0,0|1,1,0]=4 1140 B8R1.11 N#CC1=C(Br)C=CS1 CS22192 [0,2,0,0,0,0|0,1,1]=4 1141 B8R1.11 N#CC1=C(Cl)C=CS1 MC442674 [0,2,0,0,0,0|0,1,1]=4 1142 B8R1.11 N#CC1=C(N)NC=C1 CS21218 [0,2,0,0,0,0|2,0,0]=4 1143 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [0,2,0,0,0,0|0,1,1]=4 1144 B8R1.11 NCC1=C(Br)C=CS1 MC103352 [0,2,0,0,0,0|0,1,0]=3 1145 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [0,2,0,0,0,0|1,0,1]=4 1146 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [0,2,0,0,0,0|0,1,1]=4 1147 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [0,2,0,0,0,0|1,1,0]=4 1148 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [0,2,0,0,0,0|1,0,1]=4 1149 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [0,2,0,0,0,0|1,1,0]=4 1150 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [0,2,0,0,0,0|0,1,1]=4 1151 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [0,2,0,0,0,0|1,1,0]=4 1152 B8R1.11 OCC1=C(Br)N=CS1 CS12138 [0,2,0,0,0,0|1,1,0]=4 1153 B8R1.11 OCC1=C(Br)SC=C1 MC442201 [0,2,0,0,0,0|1,1,0]=4 1154 B8R1.11 OCC1=C(F)C=CS1 MC429391 [0,2,0,0,0,0|0,1,0]=3 1155 B8R1.18 BrC1=CC(Br)=C(Br)S1 MC41711 [0,2,0,0,0,0|1,1,0]=4 1156 B8R1.18 CC1=C(Br)N=C(Br)S1 MC442181 [0,2,0,0,0,0|1,1,0]=4 1157 B8R1.18 CC1=C(Br)NC(Br)=N1 CS19876 [0,2,0,0,0,0|2,0,0]=4 1158 B8R1.18 CC1=C(Br)SC(Br)=C1 MC442189 [0,2,0,0,0,0|1,1,0]=4 1159 B8R1.18 CC1=C(Br)SC(N)=N1 CS15953 [0,2,0,0,0,0|2,0,0]=4 1160 B8R1.18 CC1=C(Br)SC(N)=N1 CS21269 [0,2,0,0,0,0|2,0,0]=4 1161 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,2,0,0,0,0|1,0,0]=3 1162 B8R1.18 CC1=C(C)SC(Br)=N1 CS13229 [0,2,0,0,0,0|1,1,0]=4 1163 B8R1.18 CC1=C(C)SC(N)=N1 CS21234 [0,2,0,0,0,0|1,1,0]=4 1164 B8R1.18 CC1=C(Cl)N=C(Cl)S1 CS16846 [0,2,0,0,0,0|1,1,0]=4 1165 B8R1.18 CC1=C(Cl)SC(Br)=C1 MC442569 [0,2,0,0,0,0|1,1,0]=4 1166 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS17499 [0,2,0,0,0,0|1,1,0]=4 1167 B8R1.18 CC1=C(I)NC(I)=N1 CS19843 [0,2,0,0,0,0|2,0,0]=4 1168 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,2,0,0,0,0|2,0,0]=4 1169 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,2,0,0,0,0|1,0,1]=4 1170 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,2,0,0,0,0|2,0,0]=4 1171 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,2,0,0,0,0|0,1,0]=3 1172 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,2,0,0,0,0|2,0,0]=4 1173 B8R1.18 CC1=NC(Br)=CN1C MC107044 [0,2,0,0,0,0|2,0,0]=4 1174 B8R1.18 CC1=NN(C)C=C1I MC431130 [0,2,0,0,0,0|2,0,0]=4 1175 B8R1.18 CN1C=C(Br)C(N)=N1 CS22065 [0,2,0,0,0,0|2,0,0]=4 1176 B8R1.18 CN1N=C(Br)C=C1N CS14912 [0,2,0,0,0,0|2,0,0]=4 1177 B8R1.18 CN1N=C(Cl)C=C1N MC105283 [0,2,0,0,0,0|2,0,0]=4 1178 B8R1.18 ClC1=C(Cl)SC(Br)=C1 CS16855 [0,2,0,0,0,0|1,1,0]=4 1179 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,2,0,0,0,0|1,0,0]=3 1180 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,2,0,0,0,0|1,0,1]=4 1181 B8R1.50 CC1=C(C)C(N)=NN1 CS22497 [0,2,0,0,0,0|2,0,0]=4 1182 B8R1.50 CC1=C(C)C(N)=NO1 CS13675 [0,2,0,0,0,0|1,0,0]=3 1183 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,2,0,0,0,0|1,0,1]=4 1184 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,2,0,0,0,0|1,0,0]=3 1185 B8R1.50 CC1=CSC(C)=C1Br CS16729 [0,2,0,0,0,0|0,1,0]=3 1186 B8R1.50 CC1=NC=C(Br)N1C MC425507 [0,2,0,0,0,0|2,0,0]=4 1187 B8R1.50 CC1=NNC(C)=C1Br CS18052 [0,2,0,0,0,0|2,0,0]=4 1188 B8R1.50 CC1=NNC(C)=C1I CS18086 [0,2,0,0,0,0|2,0,0]=4 1189 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,2,0,0,0,0|1,0,0]=3 1190 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,2,0,0,0,0|1,0,0]=3 1191 B8R1.50 CN1N=CC(Br)=C1N CS16215 [0,2,0,0,0,0|2,0,0]=4 1192 B8R1.50 CN1N=CC(F)=C1Cl MC430174 [0,2,0,0,0,0|2,0,0]=4 1193 B6R1.1 C1=CC=NC=C1 CS19760 [0,0,1,1,0,0|1,0,1]=4 1194 B6R1.1 C1=CC=NC=C1 MC21088 [0,0,1,1,0,0|1,0,1]=4 1195 B6R1.1 C1=CC=NC=C1 MC32204 [0,0,1,1,0,0|1,0,1]=4 1196 B6R1.1 C1=CC=NC=C1 MC41630 [0,0,1,1,0,0|1,0,1]=4 1197 B6R1.1 C1=CC=[NH+]C=C1 MC20763 [0,0,1,1,0,0|1,0,1]=4 1198 B6R1.1 C1=CCOCC1 MC427315 [0,0,1,1,0,0|0,0,2]=4 1199 B6R1.1 C1=CN=NC=C1 CS11905 [0,0,1,1,0,0|2,0,0]=4 1200 B6R1.1 C1=COCCC1 MC20500 [0,0,1,1,0,0|0,0,2]=4 1201 B6R1.1 c1ccccc1 MC444977 [0,0,1,1,0,0|1,0,1]=4 1202 B8R2.34 C1=CC2C=CC1C2 MC445000 [0,0,0,1,0,1|1,0,1]=4 1203 B4R1.2 CC1=CC1 MC20873 [0,0,0,0,2,0|0,0,1]=3 1204 B4R1.2 CC1CO1 MC428272 [0,0,0,0,2,0|0,0,2]=4