0 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 COC1=NC=CS1 BB_SC-12407 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.1 NCC1=CC=CO1 BB_SC-06537 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [0,0,0,0,0,0|1,1,1]=3 5 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.2 BrC1=CN=CN1 BB_SC-06082 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 BrC1=NC=CS1 BB_SC-04599 [1,0,0,0,0,0|2,1,0]=4 9 B6R1.2 CC1=CC=NN1 BB_SC-03908 [1,0,0,0,0,0|2,0,0]=3 10 B6R1.2 CC1=NC=CN1 BB_SC-06891 [1,0,0,0,0,0|2,0,0]=3 11 B6R1.2 CN1C=CC=N1 BB_SC-04178 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 CN1C=CN=C1 BB_SC-06980 [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 ClC1=CC=CS1 BB_SC-08899 [1,0,0,0,0,0|1,1,0]=3 14 B6R1.2 NC1=CC=NN1 BB_SC-08263 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 NC1=NC=CN1 BB_SC-09635 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 NC1=NC=CS1 BB_SC-10668 [1,0,0,0,0,0|2,1,0]=4 17 B6R1.2 NC1=NOC=C1 BB_SC-12691 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 O=C1OC=CO1 BB_SC-06550 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.1 CC1=CC=C(CN)O1 BB_SC-07231 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.1 CC1=NC(CN)=CS1 BB_SC-10677 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=NOC(CCl)=N1 BB_SC-09742 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=NOC(CN)=N1 BB_SC-07494 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.1 CC1=NOC(CN)=N1 BB_SC-12184 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.1 CCC1=NC(Br)=NN1 BB_SC-07580 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CCC1=NC(C)=CN1 BB_SC-05574 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.1 CCC1=NC(Cl)=NN1 BB_SC-08093 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 CCC1=NC(N)=NN1 BB_SC-07579 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.1 O=CC1=CC=C(Br)S1 BB_SC-07348 [0,1,0,0,0,0|1,1,1]=4 31 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,1,0,0,0,0|0,0,1]=2 33 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.7 CC(C)C1=NC=CN1 BB_SC-05536 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,1,0,0,0,0|1,1,1]=4 36 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.8 CNCC1=CN=CN1 BB_SC-12539 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.8 ClCCN1C=CC=N1 BB_SC-05015 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.8 NCCC1=CC=CO1 BB_SC-03286 [0,1,0,0,0,0|0,0,0]=1 41 B8R1.8 NCCC1=CNC=N1 BB_NC-01195 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.8 NCCN1C=CC=N1 BB_SC-11753 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.8 NCCN1C=CN=C1 BB_SC-11752 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.8 O\N=C\C1=CC=CO1 BB_SC-06763 [0,1,0,0,0,0|1,0,1]=3 45 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [0,1,0,0,0,0|1,1,1]=4 46 B8R1.11 CC1=C(CO)NC=N1 BB_SC-01730 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.11 NCC1=CC=CN1C BB_SC-10080 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [0,0,0,0,0,1|1,0,2]=4 50 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [0,0,0,0,0,1|1,0,2]=4 51 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [0,0,0,0,0,1|2,0,0]=3 53 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.2 N#CC1=CC=CN=C1 BB_SC-12614 [0,0,0,0,0,1|2,0,1]=4 56 B8R1.2 N#CC1=CC=NC=C1 BB_SC-07019 [0,0,0,0,0,1|2,0,1]=4 57 B8R1.2 N#CC1=NC=CC=C1 BB_SC-08696 [0,0,0,0,0,1|2,0,1]=4 58 B8R1.2 N#CC1=NC=CN=C1 BB_SC-08694 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.2 NNC1=NC=CC=C1 BB_SC-07490 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [0,0,0,0,0,1|2,0,1]=4 64 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [0,0,0,0,0,1|2,0,1]=4 65 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [0,0,0,0,0,1|2,0,1]=4 66 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [0,0,0,0,0,1|2,0,0]=3 67 B5R0.1 C=COC(C)=O BB_SC-12396 [1,0,1,0,0,0|1,0,0]=3 68 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,0,1,0,0,0|1,0,1]=4 69 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,0,1,0,0,0|1,0,1]=4 70 B5R1.1 C1=CNC=C1 BB_SC-07205 [2,0,0,0,0,0|1,0,0]=3 71 B5R1.1 C1=CNC=N1 BB_SC-06938 [2,0,0,0,0,0|2,0,0]=4 72 B5R1.1 C1=CNN=C1 BB_SC-04986 [2,0,0,0,0,0|2,0,0]=4 73 B5R1.1 C1=COCC1 BB_SC-06597 [2,0,0,0,0,0|0,0,2]=4 74 B5R1.1 C1=CON=C1 BB_SC-08801 [2,0,0,0,0,0|1,0,0]=3 75 B5R1.1 C1=CSC=N1 BB_SC-08800 [2,0,0,0,0,0|1,1,0]=4 76 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,1,1,0,0,0|0,0,2]=4 77 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,1,1,0,0,0|0,0,1]=3 78 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [0,1,1,0,0,0|0,0,1]=3 79 B7R1.2 CC1=CC(C)=NN1 BB_SC-02785 [1,1,0,0,0,0|2,0,0]=4 80 B7R1.2 CC1=CC(N)=NN1 BB_SC-06362 [1,1,0,0,0,0|2,0,0]=4 81 B7R1.2 CC1=CC(N)=NO1 BB_NC-00012 [1,1,0,0,0,0|1,0,0]=3 82 B7R1.2 CC1=CC(O)=NO1 BB_SC-10988 [1,1,0,0,0,0|1,0,0]=3 83 B7R1.2 CC1=CN=C(Br)S1 BB_SC-08425 [1,1,0,0,0,0|1,1,0]=4 84 B7R1.2 CC1=CN=C(Cl)S1 BB_SC-08359 [1,1,0,0,0,0|1,1,0]=4 85 B7R1.2 CC1=CN=C(N)S1 BB_SC-07259 [1,1,0,0,0,0|1,1,0]=4 86 B7R1.2 CC1=CNC(C)=N1 BB_SC-07154 [1,1,0,0,0,0|2,0,0]=4 87 B7R1.2 CC1=NC(N)=NO1 BB_SC-11784 [1,1,0,0,0,0|2,0,0]=4 88 B7R1.2 CC1=NOC(N)=C1 BB_SC-03667 [1,1,0,0,0,0|2,0,0]=4 89 B7R1.2 CN1C=C(Br)C=N1 BB_SC-06366 [1,1,0,0,0,0|2,0,0]=4 90 B7R1.2 CN1C=C(I)C=N1 BB_SC-12417 [1,1,0,0,0,0|2,0,0]=4 91 B7R1.2 CN1C=CC(N)=N1 BB_SC-10133 [1,1,0,0,0,0|2,0,0]=4 92 B7R1.2 NC1=CC(O)=NO1 BB_SC-11092 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.2 O=C1C=C(O)CO1 BB_SC-12693 [1,1,0,0,0,0|1,0,1]=4 94 B7R1.4 CC1=CC=NN1C BB_SC-02404 [1,1,0,0,0,0|2,0,0]=4 95 B7R1.4 CC1=NC=CN1C BB_SC-06893 [1,1,0,0,0,0|2,0,0]=4 96 B7R1.4 CC1=NNC=C1Br BB_SC-09356 [1,1,0,0,0,0|2,0,0]=4 97 B7R1.4 CC1=NNC=C1Cl BB_SC-10393 [1,1,0,0,0,0|2,0,0]=4 98 B7R1.4 CC1=NNC=C1Cl BB_SC-12024 [1,1,0,0,0,0|2,0,0]=4 99 B7R1.4 CC1=NNC=C1I BB_SC-09357 [1,1,0,0,0,0|2,0,0]=4 100 B7R1.4 CC1=NNC=C1N BB_SC-10129 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.1 CC1=CC=C(CCl)C=C1 BB_SC-06960 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.1 CCC1=CC=C(N)C=C1 BB_SC-07009 [0,1,0,0,0,1|1,0,0]=3 103 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.1 COC1=CC=C(S)C=C1 BB_SC-06511 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.1 COC1=NN=C(Cl)C=C1 BB_SC-07781 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.1 ClCC1=CC=C(Br)C=C1 BB_SC-04526 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.1 ClCC1=CC=C(Cl)N=C1 BB_SC-02080 [0,1,0,0,0,1|2,0,0]=4 108 B9R1.1 FC1=CC=C(CCl)C=C1 BB_SC-06883 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.1 NCC1=CC=C(Cl)C=C1 BB_SC-04583 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.1 NCC1=CC=C(N)C=C1 BB_SC-08895 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.1 OCC1=CC=C(Cl)C=C1 BB_SC-06996 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.1 OCC1=CC=C(F)C=C1 BB_SC-06738 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.2 CC1=CC=CC(CCl)=C1 BB_SC-07069 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.2 ClCC1=CC(Cl)=CC=C1 BB_SC-06965 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.2 ClCC1=CC=CC(Br)=C1 BB_SC-09626 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.2 NCC1=CC(Cl)=CC=C1 BB_SC-04584 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.2 NCC1=CC(F)=CC=C1 BB_SC-04586 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.2 NCC1=CC(N)=CC=C1 BB_SC-08894 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,1,0,0,0,1|1,0,1]=4 123 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [0,1,0,0,0,1|1,0,1]=4 124 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [0,1,0,0,0,1|1,0,1]=4 125 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [0,1,0,0,0,1|1,0,0]=3 126 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [0,1,0,0,0,1|1,0,0]=3 128 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [0,1,0,0,0,1|1,0,0]=3 129 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [0,1,0,0,0,1|1,0,0]=3 130 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [0,1,0,0,0,1|1,0,0]=3 131 B9R1.8 CCOC1CCC=CO1 BB_SC-05427 [0,1,0,0,0,1|0,0,2]=4 132 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [0,1,0,0,0,1|1,0,0]=3 133 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [0,1,0,0,0,1|1,0,0]=3 134 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [0,1,0,0,0,1|1,0,0]=3 135 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [0,1,0,0,0,1|1,0,0]=3 136 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [0,1,0,0,0,1|1,0,1]=4 137 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [0,1,0,0,0,1|1,0,0]=3 138 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [0,1,0,0,0,1|2,0,0]=4 139 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [0,1,0,0,0,1|1,0,0]=3 140 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [0,1,0,0,0,1|1,0,0]=3 141 B9R1.15 CC1=CC=CC=C1CCl BB_SC-07008 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.15 CNC1=C(N)C=CC=N1 BB_SC-09969 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.15 COC1=C(N)C=CC=N1 BB_SC-07758 [0,1,0,0,0,1|2,0,0]=4 144 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB_SC-06882 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.15 NC1=C(CO)C=CC=C1 BB_SC-05568 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.15 NCC1=C(Cl)C=CC=C1 BB_SC-06959 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.15 NCC1=C(F)C=CC=C1 BB_SC-04585 [0,1,0,0,0,1|2,0,0]=4 148 B9R1.7 CC1=CSC(CCN)=N1 BB_SC-05822 [0,2,0,0,0,0|1,1,0]=4 149 B9R1.7 CC1=NN(CCCl)C=C1 BB_SC-04724 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.7 CC1=NN(CCN)C=C1 BB_SC-04722 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.7 CC1=NOC(CCN)=N1 BB_SC-09260 [0,2,0,0,0,0|2,0,0]=4 152 B9R1.7 CCCN1C=CC(C)=N1 BB_SC-03929 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.7 CCCN1C=CC(N)=N1 BB_SC-03665 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.7 CNCC1=NC(C)=NO1 BB_SC-11550 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.21 CCN1C=CC(CN)=N1 BB_SC-03713 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.22 CCN1N=C(C)C=C1C BB_SC-03745 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.22 CCN1N=C(N)C=C1C BB_SC-03664 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.23 CCN1C=C(N)C(C)=N1 BB_SC-03959 [0,2,0,0,0,0|2,0,0]=4 159 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [0,2,0,0,0,0|0,1,1]=4 160 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,2,0,0,0,0|0,0,1]=3 161 B9R1.35 CC(C)C1=NOC(N)=C1 BB_SC-12276 [0,2,0,0,0,0|2,0,0]=4 162 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,2,0,0,0,0|1,0,1]=4 163 B9R1.19 CC(C)(C)C1=NNC=C1 BB_SC-11631 [0,2,0,0,0,0|2,0,0]=4 164 B9R1.41 CC(C)N1N=CC=C1N BB_SC-04294 [0,2,0,0,0,0|2,0,0]=4 165 B9R1.12 CCNCC1=CC=CO1 BB_SC-01705 [0,2,0,0,0,0|0,0,0]=2 166 B9R1.12 ClCCCN1C=CC=C1 BB_SC-10706 [0,2,0,0,0,0|2,0,0]=4 167 B9R1.12 N#CCCN1C=CC=N1 BB_SC-03764 [0,2,0,0,0,0|2,0,0]=4 168 B9R1.12 NCCCN1C=CC=N1 BB_SC-03911 [0,2,0,0,0,0|2,0,0]=4 169 B9R1.12 O=C\C=C\C1=CC=CO1 BB_NC-00234 [0,2,0,0,0,0|0,0,2]=4 170 B9R1.12 S=C=NCC1=CC=CO1 BB_SC-01799 [0,2,0,0,0,0|0,0,1]=3 171 B9R1.13 O=C(Cl)CC1=CC=CS1 BB_SC-04631 [0,2,0,0,0,0|0,1,1]=4 172 B9R1.33 CC1=CC=NN1CCCl BB_SC-05010 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.33 CC1=CC=NN1CCN BB_SC-04467 [0,2,0,0,0,0|2,0,0]=4 174 B9R1.33 CNCC1=CC=CN1C BB_SC-09778 [0,2,0,0,0,0|1,0,0]=3 175 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,0,1,1,0,0|0,0,2]=4 176 B7R1.3 OC1=CN=CC=C1 BB_SC-00238 [0,0,1,1,0,0|1,0,1]=4 177 B7R1.3 OC1=NC=CC=C1 BB_SC-07237 [0,0,1,1,0,0|1,0,1]=4 178 B7R1.24 C1=CC=CCC=C1 BB_SC-06674 [0,0,1,1,0,0|1,0,1]=4 179 B9R2.3 C1=NNC2=C1CCC2 BB_SC-07403 [0,1,0,1,0,0|2,0,0]=4 180 B5R1.3 CCC1CO1 BB_SC-07230 [0,0,0,0,2,0|0,0,2]=4