0 B8R1.8 N#CCC1=CC=CS1 1287095 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.8 NCCC1=CN=CN1 2816948 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.8 NCCC1=CN=CN1 5662517 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 NCCC1=CNC=N1 3354315 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 NCCC1=CNC=N1 4434673 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 NCCC1=CSC=N1 7020691339 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 NCCC1=NC=CS1 1059793 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.8 NCCC1=NC=CS1 3851317 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.8 NCCN1C=CC=C1 1048773 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.8 NCCN1C=CC=C1 8916334 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 NCCN1C=CC=N1 7138650 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 NCCN1C=CN=C1 7138652 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 O=C=NC1=CC=CS1 2214454 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.8 OCCC1=CC=CS1 22430596 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.1 CCC1=CC=CS1 2825840 [1,0,0,0,0,0|0,0,0]=1 15 B7R1.1 CCC1=NC=CN1 2816718 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 CCN1C=CN=C1 1217863 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 CCN1C=CN=N1 6851998 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 CCN1C=NC=N1 6923396 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 N#CC1=CC=CO1 2825449 [1,0,0,0,0,0|0,1,2]=4 20 B7R1.1 NCC1=CC=CN1 7020542628 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.1 NCC1=CC=CO1 1038603 [1,0,0,0,0,0|0,1,0]=2 22 B7R1.1 NCC1=CC=CS1 1038604 [1,0,0,0,0,0|0,0,0]=1 23 B7R1.1 NCC1=NC=CS1 1044145 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.1 O=CC1=CC=CN1 7020420392 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 O=CC1=CC=CO1 988493 [1,0,0,0,0,0|1,1,1]=4 26 B7R1.1 O=CC1=CC=CS1 2048717 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.1 OCC1=CC=CO1 2084339 [1,0,0,0,0,0|1,1,0]=3 28 B7R1.1 OCC1=CC=NO1 2128179 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.1 OCC1=COC=C1 2816728 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 OCC1=NNC=C1 2652239 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.7 CC1=CC(CCN)=NO1 1150833 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.7 CC1=CN=C(CCN)O1 1036144 [0,1,0,0,0,0|1,1,0]=3 33 B9R1.7 CC1=CN=C(CCN)S1 7020542828 [0,1,0,0,0,0|1,0,0]=2 34 B9R1.7 CC1=CSC(CCN)=N1 15298383 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.7 CC1=CSC(CCN)=N1 7018890479 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.7 CC1=CSC(CCN)=N1 7110952733 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.7 CC1=NC(CCN)=CN1 1202296 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.7 CC1=NC(CCN)=CS1 7020410123 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.7 CC1=NC(CCN)=CS1 7110950887 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.7 CC1=NOC(CCN)=N1 1500003 [0,1,0,0,0,0|2,1,0]=4 41 B9R1.7 CC1=NOC(CCN)=N1 22588265 [0,1,0,0,0,0|2,1,0]=4 42 B9R1.7 CCCC1=NOC(N)=C1 1218519 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 CN1C=NC(CCN)=C1 3514215 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.7 CN1C=NC(CCN)=N1 15298431 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 NC1=NN=C(CCBr)S1 1169444 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 NC1=NN=C(CCBr)S1 1705447 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.7 NCCC1=CC(Cl)=CS1 11639058 [0,1,0,0,0,0|0,0,0]=1 48 B9R1.11 CCC(=O)C1=CC=CS1 1043815 [0,1,0,0,0,0|1,0,1]=3 49 B9R1.11 NCC(O)C1=CC=CS1 1055858 [0,1,0,0,0,0|0,0,0]=1 50 B9R1.11 NNC(=O)C1=CC=CO1 7113240459 [0,1,0,0,0,0|1,1,1]=4 51 B9R1.11 NNC(=O)C1=CC=CS1 7210740705 [0,1,0,0,0,0|1,0,1]=3 52 B9R1.11 O=C(CCl)C1=CC=CS1 1313194 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.11 O=C(CO)C1=CC=CO1 2826306 [0,1,0,0,0,0|1,1,1]=4 54 B9R1.12 CNCCC1=CN=CN1 4667144 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.12 CNCCC1=CNC=N1 4667147 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.12 N#CCCC1=CC=CS1 1655095 [0,1,0,0,0,0|0,0,1]=2 57 B9R1.12 N#C\C=C\C1=CC=CS1 1655094 [0,1,0,0,0,0|0,0,3]=4 58 B9R1.12 NCCCN1C=CN=C1 7020210302 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.13 NC(=O)CC1=CC=CS1 1375218 [0,1,0,0,0,0|0,0,1]=2 60 B9R1.13 NC(=S)CN1C=CC=N1 2818662 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.13 O=C(Cl)CC1=CC=CS1 1051727 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.13 O=C(O)CC1=CC=CO1 1287105 [0,1,0,0,0,0|1,1,1]=4 63 B9R1.13 O=C(O)CC1=CC=CS1 1287112 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.33 CC1=NC=CN1CCN 7138653 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.33 CN1C=NC=C1CCN 6850082 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.33 NCCC1=C(Br)N=CN1 6095770 [0,1,0,0,0,0|2,0,0]=3 67 B9R2.39 NC1CC2C=CC1C2 5980864 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.8 BrCCC1=CC=CC=C1 2889217 [0,0,0,0,0,1|2,0,0]=3 69 B9R1.8 CCCC1=CC=CC=C1 2826136 [0,0,0,0,0,1|2,0,0]=3 70 B9R1.8 CCNC1=CC=CC=C1 1220427 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.8 CCOC1=CC=CC=C1 2826174 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.8 CNCC1=CC=CC=C1 1268163 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.8 ClCCC1=CC=CC=C1 2827551 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.8 N#CCC1=CC=CC=C1 1519434 [0,0,0,0,0,1|1,0,2]=4 75 B9R1.8 N#CCC1=NC=CC=C1 1287098 [0,0,0,0,0,1|1,0,2]=4 76 B9R1.8 NCCC1=CC=CC=C1 1038619 [0,0,0,0,0,1|1,0,0]=2 77 B9R1.8 NCCC1=CCCCC1 2826290 [0,0,0,0,0,1|1,0,2]=4 78 B9R1.8 NNCC1=CC=CC=C1 1972969 [0,0,0,0,0,1|2,0,0]=3 79 B9R1.8 O=CCC1=CC=CC=C1 1204419 [0,0,0,0,0,1|2,0,1]=4 80 B9R1.8 OCCC1=CC=CC=C1 1204382 [0,0,0,0,0,1|2,0,0]=3 81 B9R1.8 OCCC1=CC=CC=N1 1204379 [0,0,0,0,0,1|2,0,0]=3 82 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [0,0,0,0,0,1|3,0,0]=4 83 B6R1.2 BrC1=CC=CS1 1362078 [2,0,0,0,0,0|1,0,0]=3 84 B6R1.2 CC1=CC=CO1 2825319 [2,0,0,0,0,0|0,1,0]=3 85 B6R1.2 CC1=CC=CS1 2825522 [2,0,0,0,0,0|0,0,0]=2 86 B6R1.2 CC1=CC=NN1 5009700 [2,0,0,0,0,0|2,0,0]=4 87 B6R1.2 CC1=CN=CN1 22430348 [2,0,0,0,0,0|2,0,0]=4 88 B6R1.2 CC1=CSC=C1 2816743 [2,0,0,0,0,0|2,0,0]=4 89 B6R1.2 CC1=CSC=N1 1287022 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 CC1=NC=CN1 2825323 [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 CC1=NNC=C1 2816612 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 CN1C=CC=C1 2825317 [2,0,0,0,0,0|2,0,0]=4 93 B6R1.2 ClC1=CC=CS1 2826105 [2,0,0,0,0,0|1,0,0]=3 94 B6R1.2 NC1=CC=NN1 1182234 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 NC1=CN=CN1 4666719 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 NC1=NC=CS1 2825567 [2,0,0,0,0,0|1,0,0]=3 97 B6R1.2 NC1=NC=NS1 1178564 [2,0,0,0,0,0|2,0,0]=4 98 B6R1.2 NC1=NN=CS1 1333491 [2,0,0,0,0,0|2,0,0]=4 99 B6R1.2 NC1=NNC=C1 2816613 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.1 CC1=CC=C(CS)O1 5810409 [1,1,0,0,0,0|1,1,0]=4 101 B8R1.1 CC1=CSC(CN)=N1 1044146 [1,1,0,0,0,0|1,0,0]=3 102 B8R1.1 CC1=NC(CN)=CS1 7020617634 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.1 CCC1=CN=C(N)S1 2223233 [1,1,0,0,0,0|1,0,0]=3 104 B8R1.1 CCC1=CN=C(S)N1 7010463 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.1 CCC1=CSC(N)=N1 2220844 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.1 NCC1=CC(Cl)=CS1 11639171 [1,1,0,0,0,0|0,0,0]=2 107 B8R1.1 OCC1=CC(Cl)=CS1 11165208 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.7 CC(=O)C1=CC=CO1 1778595 [1,1,0,0,0,0|0,1,1]=4 109 B8R1.7 CC(=O)C1=CC=CS1 14605036 [1,1,0,0,0,0|0,0,1]=3 110 B8R1.7 CC(=O)C1=CN=CS1 2422437 [1,1,0,0,0,0|1,0,1]=4 111 B8R1.7 CC(O)C1=CC=CS1 1366588 [1,1,0,0,0,0|0,0,0]=2 112 B8R1.7 C[C@H](N)C1=NC=CS1 2630925 [1,1,0,0,0,0|1,0,0]=3 113 B8R1.7 N=C(N)C1=CC=CS1 22588250 [1,1,0,0,0,0|0,0,1]=3 114 B8R1.7 NC(=S)C1=CC=CS1 7020331311 [1,1,0,0,0,0|0,0,1]=3 115 B8R1.7 O=C(Cl)C1=CC=CS1 1051705 [1,1,0,0,0,0|1,0,1]=4 116 B8R1.7 O=C(O)C1=CC=CS1 1509751 [1,1,0,0,0,0|1,0,1]=4 117 B8R1.7 OB(O)C1=CC=CS1 2817633 [1,1,0,0,0,0|2,0,0]=4 118 B8R1.11 CN1C=CN=C1CN 7020542515 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.1 CC1=CC=C(CCCl)C=C1 1277178 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [0,1,0,0,0,1|1,0,0]=3 123 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [0,1,0,0,0,1|1,0,0]=3 124 B10R1.1 OCCC1=CC=C(Br)C=C1 1204413 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [0,1,0,0,0,1|1,0,0]=3 126 B10R1.4 NCCC1=CC=CC=C1F 6051017 [0,1,0,0,0,1|1,0,0]=3 127 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [0,1,0,0,0,1|1,0,0]=3 128 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [0,1,0,0,0,1|1,0,0]=3 129 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [0,1,0,0,0,1|1,0,0]=3 130 B10R1.15 CC(CN)C1=NC=CC=C1 1883428 [0,1,0,0,0,1|1,0,0]=3 131 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [0,1,0,0,0,1|1,0,1]=4 134 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.17 CCCCC1=CC=CC=C1 2827024 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.17 CCNCC1=CC=CC=C1 1366645 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [0,1,0,0,0,1|1,0,0]=3 140 B10R1.17 CNCCC1=NC=CC=C1 4347309 [0,1,0,0,0,1|1,0,0]=3 141 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [0,1,0,0,0,1|1,0,1]=4 142 B10R1.17 N#CCCC1=NC=CC=C1 1973037 [0,1,0,0,0,1|1,0,1]=4 143 B10R1.17 NCCCC1=CC=CN=C1 1038705 [0,1,0,0,0,1|1,0,0]=3 144 B10R1.17 NCCNC1=NC=CC=N1 15298417 [0,1,0,0,0,1|1,0,0]=3 145 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [0,1,0,0,0,1|1,0,0]=3 146 B10R1.17 NCCSC1=CC=CC=C1 6137840 [0,1,0,0,0,1|1,0,0]=3 147 B10R1.17 NNCCC1=CC=CC=C1 9080668 [0,1,0,0,0,1|1,0,0]=3 148 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.17 OCCNC1=CC=CC=C1 1866520 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.17 OCCOC1=CC=CC=C1 1275759 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.17 SCCOC1=CC=CC=C1 1310591 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [0,1,0,0,0,1|1,0,1]=4 153 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 1313202 [0,2,0,0,0,0|1,0,1]=4 154 B10R1.16 CC1=CN=C(CCCN)O1 1036165 [0,2,0,0,0,0|1,1,0]=4 155 B10R1.16 CC1=CSC(CCCN)=N1 1044404 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.54 O=C(O)CC1=CC=C(Br)S1 19767649 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.96 CCC1=NC=C(CCN)N1 5981296 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.130 CC1=CC(C)=NN1CCN 7020210277 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.130 CC1=CC(C)=NN1CCN 7138651 [0,2,0,0,0,0|2,0,0]=4 160 B10R1.131 CC1=C(C)SC(CCN)=N1 7020380044 [0,2,0,0,0,0|1,0,0]=3 161 B10R1.131 CC1=NC(CCN)=CN1C 3514213 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.6 CC(C)(CN)C1=CC=CO1 1287136 [0,2,0,0,0,0|0,1,0]=3 163 B10R1.6 CC(C)(CN)C1=CC=CS1 1287130 [0,2,0,0,0,0|0,0,0]=2 164 B10R1.11 CNCC(O)C1=CC=CS1 1055886 [0,2,0,0,0,0|0,0,0]=2 165 B10R1.11 N#CCC(=O)C1=CC=CS1 7020640009 [0,2,0,0,0,0|0,0,2]=4 166 B10R1.23 O=C(C1=CC=CS1)C(O)O 7118240024 [0,2,0,0,0,0|1,0,1]=4 167 B10R1.21 C=CCNCC1=CC=CO1 1366671 [0,2,0,0,0,0|1,1,0]=4 168 B10R1.21 CCCCCC1=CC=CS1 11639053 [0,2,0,0,0,0|1,0,0]=3 169 B10R1.21 NOCCCC1=CC=CO1 1204451 [0,2,0,0,0,0|0,1,0]=3 170 B10R1.27 COC(=O)CC1=CC=CS1 1973364 [0,2,0,0,0,0|1,0,1]=4 171 B10R1.27 NC(C=O)CC1=CNC=N1 22430642 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.66 CC(C)NCC1=CC=CO1 1089622 [0,2,0,0,0,0|1,1,0]=4 173 B10R1.66 O=C(O)CCC1=CC=CN1 4668011 [0,2,0,0,0,0|2,0,0]=4 174 B10R1.66 O=C(O)CCC1=CC=CO1 7118560814 [0,2,0,0,0,0|1,1,0]=4 175 B10R1.66 O=C(O)CCC1=CC=CS1 7020400395 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 NCC1=CC=CC=C1 1038608 [0,0,1,1,0,0|1,0,1]=4 177 B8R1.2 NCC1=CC=CC=C1 6057147 [0,0,1,1,0,0|1,0,1]=4 178 B8R1.2 NCC1=CC=CN=C1 1038606 [0,0,1,1,0,0|1,0,1]=4 179 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [0,0,0,1,0,1|1,0,0]=3 180 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [0,0,0,1,0,1|2,0,0]=4 181 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [0,0,0,1,0,1|1,0,0]=3 182 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [0,0,0,1,0,1|2,0,0]=4 183 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [0,0,0,1,0,1|2,0,0]=4 184 B10R2.2 NC1=NC2=C(CCC2)S1 15386197 [0,1,0,1,0,0|2,0,0]=4