0 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 CC(C)C1=NC=CN1 BB_SC-05536 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 CS(=O)C1=NNC=N1 BB_SC-09591 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 O=C(Cl)C1=CSN=N1 BB_SC-04191 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 O=C(O)C1=CSN=N1 BB_SC-04188 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 O=C(O)C1=NC=NN1 BB_SC-10825 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 O=[N+]([O-])C1=CNC=N1 BB_SC-06887 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB_SC-03912 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.7 O=[N+]([O-])C1=NNC=N1 BB_SC-03899 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 COC1=NC=CS1 BB_SC-12407 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 BB_SC-04692 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,1,0,0,0,0|1,1,0]=3 26 B9R1.35 CC(C)C1=NN=C(N)S1 BB_SC-04684 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.35 CC1=CC(C(=O)O)=NO1 BB_SC-09038 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.35 CC1=NN=C(C(=O)O)N1 BB_SC-06064 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.35 CN1C=CC(C(=O)O)=N1 BB_SC-06189 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 NC(=O)C1=NC(Br)=NN1 BB_SC-09011 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.35 NC(=O)C1=NC(Cl)=NN1 BB_SC-09010 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.35 NC1=NNC(C(=O)O)=N1 BB_SC-11999 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,1,0,0,0,0|2,1,0]=4 35 B9R1.35 O=C(O)C1=CN=C(Br)S1 BB_SC-05194 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB_SC-05193 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.35 O=C(O)C1=NC(Br)=NN1 BB_SC-10987 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.35 O=C(O)C1=NC(O)=NN1 BB_SC-10126 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 O=C(O)C1=NNC(Cl)=N1 BB_SC-09708 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 O=C1NN=C(C(=O)[O-])N1 BB_SC-11428 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.41 CC(=O)C1=CC=NN1C BB_SC-03698 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.41 O=C(O)C1=NNC=C1Br BB_SC-03756 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [0,0,1,0,0,0|3,0,0]=4 44 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,0,0,0,0,1|1,0,0]=2 45 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [0,0,0,0,0,1|1,0,0]=2 47 B9R1.6 N=C(N)C1=CC=CN=C1 BB_SC-07349 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [0,0,0,0,0,1|2,0,0]=3 49 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.6 NC(=O)C1=CN=CC=N1 BB_SC-01250 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.6 NC(=S)C1=CN=CC=C1 BB_SC-05504 [0,0,0,0,0,1|2,1,0]=4 52 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.13 CC(=O)NC1=CC=NN1 BB_SC-03675 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.13 O=C(Cl)CC1=CC=CS1 BB_SC-04631 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.13 O=C(O)CN1C=CC=N1 BB_SC-05012 [0,0,0,0,0,1|3,0,0]=4 60 B6R1.2 BrC1=NC=CS1 BB_SC-04599 [2,0,0,0,0,0|1,0,0]=3 61 B6R1.2 CC1=NC=CN1 BB_SC-06891 [2,0,0,0,0,0|1,0,0]=3 62 B6R1.2 CN1C=CC=N1 BB_SC-04178 [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 ClC1=CC=CS1 BB_SC-08899 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 NC1=NC=CN1 BB_SC-09635 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 NC1=NC=CS1 BB_SC-10668 [2,0,0,0,0,0|1,0,0]=3 66 B6R1.2 NC1=NN=CS1 BB_SC-06477 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 O=C1OC=CO1 BB_SC-06550 [2,0,0,0,0,0|1,1,0]=4 68 B8R1.1 CC1=CC=C(C=O)N1 BB_SC-08168 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.1 CC1=CC=C(C=O)O1 BB_SC-08898 [1,1,0,0,0,0|1,1,0]=4 70 B8R1.1 CCC1=NC(C)=CN1 BB_SC-05574 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.1 CSC1=NN=C(N)S1 BB_SC-00492 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.1 NC1=NC=C(C=O)S1 BB_SC-04878 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 O=CC1=CC=C(Br)S1 BB_SC-07348 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.1 O=CC1=CN=C(Br)S1 BB_SC-09299 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.11 CC1=C(C=O)N=CN1 BB_SC-11224 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.11 CC1=C(C=O)SC=C1 BB_SC-02989 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.11 CN1C=CC=C1C=O BB_SC-05503 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 NC1=CC=C(C(=O)O)C=N1 BB_SC-05191 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 BB_SC-03259 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB_SC-03396 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.15 COC(=O)C1=CN=CC=C1 BB_SC-06260 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BB_SC-12646 [0,1,0,0,0,1|1,0,1]=4 91 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BB_SC-05523 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.61 NC1=C(C(=O)O)C=CC=N1 BB_SC-03260 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl BB_SC-08695 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.61 O=C(O)C1=CC=CN=C1Cl BB_SC-05455 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.61 O=C(O)C1=CC=CN=C1S BB_SC-06564 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BB_SC-06272 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB_SC-04954 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB_SC-03258 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BB_NC-01971 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BB_SC-04741 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.27 COC(=O)CN1C=CC=N1 BB_SC-10055 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.27 NCC(=O)NC1=NC=CS1 BB_SC-08506 [0,1,0,0,0,1|0,0,0]=2 111 B10R1.54 CC1=CSC(CC(N)=S)=N1 BB_SC-04271 [0,1,0,0,0,1|1,1,0]=4 112 B10R1.14 CNC(=O)C1=NC(Br)=NN1 BB_SC-09035 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.14 CNC(=O)C1=NC(Cl)=NN1 BB_SC-09034 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.14 COC(=O)C1=NC(Br)=NN1 BB_SC-08903 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.14 COC(=O)C1=NC(C)=NN1 BB_SC-11845 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.14 COC(=O)C1=NC(Cl)=NN1 BB_SC-08904 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.14 COC(=O)C1=NC(O)=NN1 BB_SC-10604 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.14 COC(=O)C1=NNC(N)=N1 BB_SC-01265 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.14 COC(=O)C1=NNC(N)=N1 BB_SC-12596 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BB_SC-10312 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.149 COC(=O)C1=C(N)C=CS1 BB_SC-03264 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB_SC-03794 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB_SC-03840 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-00565 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BB_SC-10958 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.5 CC1=C(N)N=CC=C1 BB_SC-06560 [0,0,1,1,0,0|2,0,0]=4 127 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [1,0,0,0,0,1|1,0,1]=4 128 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [1,0,0,0,0,1|2,0,0]=4 129 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [1,0,0,0,0,1|1,0,0]=3 130 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [1,0,0,0,0,1|2,0,0]=4 131 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [1,0,0,0,0,1|1,0,0]=3 132 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [0,0,0,0,0,2|2,0,0]=4 133 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [0,0,0,0,0,2|1,0,0]=3 134 B10R1.66 CC(=O)CCC1=CC=CO1 BB_SC-02398 [0,0,0,0,0,2|1,1,0]=4 135 B10R1.66 CC(=O)CCN1C=CC=N1 BB_SC-12625 [0,0,0,0,0,2|2,0,0]=4