0 B9R1.2 CC1=CC(C#N)=CN=C1 ALBB-025749 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.2 CC1=CC=CC(CN)=C1 ALBB-005972 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.2 CCC1=CC(O)=CC=C1 ALBB-026446 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.2 CSC1=NC(C)=CC=N1 ALBB-016147 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.2 CSC1=NC(Cl)=CC=N1 ALBB-031863 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.2 ClCC1=NC(Cl)=CC=C1 ALBB-032454 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.2 N#CC1=CC(Br)=CN=C1 ALBB-005237 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.2 NCC1=CC=CC(F)=C1 ALBB-007577 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 NNC1=NC(Cl)=CC=C1 ALBB-026213 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 CNC1=NC=CC=N1 ALBB-031685 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 ClCC1=CN=CC=C1 ALBB-005975 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 NNC1=CC=CN=C1 ALBB-013724 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.2 OCC1=NC=CN=C1 ALBB-022758 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 OCC1=NC=CN=C1 ALBB-022758 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.4 CC1=CC=CC(Cl)=N1 ALBB-006135 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.4 CC1=CC=NC(O)=N1 ALBB-016443 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.8 CCC1=CC(O)=NC(N)=N1 ALBB-005050 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.8 CSC1=NC(C)=CC(=O)N1 ALBB-028090 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.10 CCNC1=CC(C)=CC=C1 ALBB-020271 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.10 CCNC1=CC(Cl)=CC=C1 ALBB-012137 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.30 CC1=CC(CCl)=C(C)C=C1 ALBB-005971 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.113 CC(C)C1=CC=NC(N)=N1 ALBB-014849 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.113 CC(C)C1=CC=NC(N)=N1 ALBB-014849 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.113 CC(C)C1=CC=NC(O)=N1 ALBB-014846 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.113 CC(N)C1=CC(Br)=CC=C1 ALBB-005066 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 ALBB-002194 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.113 CC1=CC(C(C)N)=NC=C1 ALBB-011827 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.113 CC1=CC=CC(C(C)N)=C1 ALBB-002189 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.172 BrCC1=CC=CC(CBr)=N1 ALBB-023566 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.176 CC1=C(C)C=C(CCl)C=C1 ALBB-006052 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.176 CC1=C(C)C=C(CN)C=C1 ALBB-005349 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.176 CCC1=CC(Cl)=C(O)C=C1 ALBB-032446 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 CC1=CC=C(C#N)O1 ALBB-016420 [0,0,0,0,1,0|2,0,1]=4 33 B8R1.1 CC1=CC=C(CN)O1 ALBB-005350 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.1 CC1=CSC(CO)=N1 ALBB-012318 [0,0,0,0,1,0|2,0,0]=3 35 B8R1.1 CC1=CSC(CO)=N1 ALBB-012318 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.1 CC1=NC(CCl)=CS1 ALBB-026987 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.1 CC1=NC(CN)=CS1 ALBB-004673 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.1 CC1=NOC(CCl)=N1 ALBB-012325 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.1 CCC1=NC(Cl)=NN1 ALBB-014166 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.1 CCC1=NC(N)=NN1 ALBB-010741 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.1 CCC1=NC(N)=NN1 ALBB-010741 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.1 CCC1=NC(S)=NN1 ALBB-012339 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.1 CCN1C=C(Br)C=N1 ALBB-004431 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.1 CCN1C=C(I)C=N1 ALBB-013411 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.1 CN1C=CC(C#N)=N1 ALBB-013983 [0,0,0,0,1,0|2,0,1]=4 48 B8R1.1 CN1C=NC(CO)=N1 ALBB-035019 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.1 COC1=NC(C)=CS1 ALBB-030276 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.1 COC1=NN=C(C)S1 ALBB-030301 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.1 CSC1=NNC(N)=N1 ALBB-018487 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.1 CSC1=NSC(N)=N1 ALBB-010195 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.11 CC1=C(CN)SC=C1 ALBB-016474 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.1 CC1=CC=C(CO)C=N1 ALBB-030074 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.1 ClCC1=CC=C(Cl)N=C1 ALBB-016819 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.6 CC(N)C1=CC=CC=C1 ALBB-032928 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.6 CC(N)C1=CN=CC=C1 ALBB-002136 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.6 CC(N)C1=NC=CC=C1 ALBB-002135 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.6 N=C(N)C1=CN=CC=N1 ALBB-006156 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.6 NC(=S)C1=NC=CN=C1 ALBB-014819 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.8 BrCCC1=NC=CC=C1 ALBB-016283 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.8 CNCC1=NC=CC=C1 ALBB-013360 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.8 N#CCC1=CC=CN=C1 ALBB-009272 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.8 N#CCC1=NC=CC=C1 ALBB-008917 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.8 NCCC1=CC=CN=C1 ALBB-006042 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.8 NCCC1=NC=CC=C1 ALBB-006016 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.8 OCCC1=NC=CC=C1 ALBB-020942 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.8 OCCC1=NC=CN=C1 ALBB-026379 [1,1,0,0,0,0|0,0,0]=2 70 B9R1.15 CC1=NC=CC=C1CCl ALBB-022808 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.15 CC1=NC=CN=C1CCl ALBB-034188 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.15 OCC1=CC=CN=C1Cl ALBB-014837 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.34 CC1=CC(N)=NC(C)=N1 ALBB-025893 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=C(C)N=C(N)N=N1 ALBB-016361 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.69 CC1=CC(I)=CN=C1N ALBB-024128 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.69 CC1=CC=C(O)C(Br)=N1 ALBB-022773 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.69 CC1=CC=C(O)C(N)=N1 ALBB-014348 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.69 NC1=NC=C(Br)N=C1N ALBB-030175 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.7 CC1=CSC(CCN)=N1 ALBB-031513 [0,1,0,0,1,0|1,0,0]=3 80 B9R1.7 CCCC1=NC(N)=NO1 ALBB-014787 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.7 CCCC1=NNC(N)=N1 ALBB-017387 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.7 CCSC1=NC(N)=NN1 ALBB-013552 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.7 CCSC1=NSC(N)=N1 ALBB-008261 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.7 CNCC1=CC=C(C)S1 ALBB-015180 [0,1,0,0,1,0|1,0,0]=3 85 B9R1.7 COCC1=NC(N)=NN1 ALBB-033758 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.7 COCC1=NNC(Br)=N1 ALBB-030472 [0,1,0,0,1,0|2,0,0]=4 87 B9R1.7 COCN1C=NC(Br)=N1 ALBB-027212 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.7 COCN1C=NC(Cl)=N1 ALBB-027218 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.21 CCC1=NC(CCl)=CS1 ALBB-028809 [0,1,0,0,1,0|1,0,0]=3 90 B9R1.21 CCC1=NC(CO)=NO1 ALBB-032171 [0,1,0,0,1,0|1,0,0]=3 91 B9R1.21 CNC1=NC(CCl)=CS1 ALBB-012944 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.22 CC1=NC(C)=C(CCl)S1 ALBB-031525 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.22 CCC1=NC(Br)=NN1C ALBB-027207 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.22 CCC1=NC(Cl)=NN1C ALBB-031601 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.22 CCN1N=C(N)C=C1C ALBB-032865 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.23 CC1=C(C)SC(CO)=N1 ALBB-028986 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.23 CCN1C=C(Br)C(C)=N1 ALBB-004446 [0,1,0,0,1,0|1,0,0]=3 98 B9R1.23 CCN1C=C(I)C(C)=N1 ALBB-013416 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.35 CC(=O)C1=CC=C(C)O1 ALBB-002841 [0,1,0,0,1,0|1,0,1]=4 100 B9R1.35 CC(C)C1=NC(Cl)=NN1 ALBB-027213 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.35 CC(C)C1=NC(N)=NN1 ALBB-010747 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.35 CC(C)C1=NC(N)=NO1 ALBB-032161 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.35 CC(C)C1=NNC(S)=N1 ALBB-013545 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.35 CC(N)C1=CC=C(Cl)S1 ALBB-000032 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.35 CC1=NN(C(C)C)C=C1 ALBB-016302 [0,1,0,0,1,0|1,0,0]=3 106 B9R1.35 CC1=NNC(C(C)C)=C1 ALBB-013563 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.132 CC1=CC=C(CN)N1C ALBB-025062 [0,1,0,0,1,0|1,0,1]=4 108 B9R1.132 CC1=CC=C(CN)N1C ALBB-025062 [0,1,0,0,1,0|1,0,1]=4 109 B9R1.27 CC1=NOC(C)=C1CCl ALBB-004459 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.27 CC1=NOC(C)=C1CN ALBB-000222 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.27 CC1=NOC(C)=C1CN ALBB-000222 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.27 CC1=NOC(C)=C1CO ALBB-033090 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.27 CCN1C(C)=NN=C1S ALBB-003143 [0,1,0,0,1,0|2,0,0]=4 114 B9R1.33 CN1C=NN=C1CCN ALBB-003931 [0,1,0,0,1,0|2,0,0]=4 115 B9R1.33 CNCC1=CC=CN1C ALBB-015094 [0,1,0,0,1,0|2,0,0]=4 116 B11R1.267 CCC1=CC=CC(CC)=C1O ALBB-008787 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.34 CCCC1=NC(C)=NC(Cl)=C1 ALBB-005189 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.74 CC1=CC(O)=CC(C(C)C)=C1 ALBB-035762 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.74 CC1=NC(O)=CC(C(C)C)=N1 ALBB-011940 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.24 CC1=CC(OCCN)=CC=C1 ALBB-010254 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.24 CC1=CC(OCCN)=CC=C1 ALBB-010254 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.24 CC1=CC=CC(CCCO)=N1 ALBB-005915 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.24 CCCNC1=CC(C)=CC=C1 ALBB-007151 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.157 CC(=O)NC1=CC=CC(C)=N1 ALBB-032452 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.157 CC1=CC=CC(CC(C)O)=N1 ALBB-011863 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.182 CCNC1=C(O)C=CC(C)=C1 ALBB-024259 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.189 CCOC1=CC=CC(CN)=C1 ALBB-005375 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.189 CNCC1=CC=CC(OC)=C1 ALBB-013359 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.189 CNCC1=CC=CC(OC)=C1 ALBB-013359 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.192 CCNC1=CC(C)=C(C)C=C1 ALBB-012134 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.37 COC1=NC(C)=CC=C1C#N ALBB-025528 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 ALBB-001472 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 ALBB-001470 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.266 COC1=CC=CC(C(C)N)=C1 ALBB-001477 [0,2,0,0,0,0|2,0,0]=4 135 B7R1.1 CCN1C=CC=N1 ALBB-004429 [1,0,0,0,1,0|1,0,0]=3 136 B7R1.1 ClCC1=CSC=N1 ALBB-003859 [1,0,0,0,1,0|2,0,0]=4 137 B7R1.1 ClCC1=CSC=N1 ALBB-003859 [1,0,0,0,1,0|2,0,0]=4 138 B7R1.1 ClCC1=NNC=C1 ALBB-034100 [1,0,0,0,1,0|2,0,0]=4 139 B7R1.1 ClCC1=NOC=N1 ALBB-004227 [1,0,0,0,1,0|2,0,0]=4 140 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,1,0|2,0,0]=4 141 B7R1.1 NCC1=CN=CS1 ALBB-004674 [1,0,0,0,1,0|2,0,0]=4 142 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,1,0|2,0,0]=4 143 B7R1.1 NCC1=CSC=C1 ALBB-015182 [1,0,0,0,1,0|2,0,0]=4 144 B7R1.1 NCC1=NC=CS1 ALBB-004671 [1,0,0,0,1,0|2,0,0]=4 145 B7R1.1 OCC1=NC=CS1 ALBB-030718 [1,0,0,0,1,0|2,0,0]=4 146 B7R1.1 OCC1=NNC=C1 ALBB-028472 [1,0,0,0,1,0|2,0,0]=4 147 B7R1.2 CC1=CC(C)=NO1 ALBB-031011 [1,0,0,0,1,0|2,0,0]=4 148 B7R1.2 CC1=CN=C(Br)S1 ALBB-027699 [1,0,0,0,1,0|2,0,0]=4 149 B7R1.2 CC1=CNC(C)=N1 ALBB-028805 [1,0,0,0,1,0|0,0,1]=3 150 B7R1.2 CC1=CSC(N)=N1 ALBB-017777 [1,0,0,0,1,0|2,0,0]=4 151 B7R1.2 CC1=CSC(N)=N1 ALBB-017777 [1,0,0,0,1,0|2,0,0]=4 152 B7R1.2 CC1=NC(Br)=NN1 ALBB-012819 [1,0,0,0,1,0|2,0,0]=4 153 B7R1.2 CC1=NNC(N)=N1 ALBB-004179 [1,0,0,0,1,0|2,0,0]=4 154 B7R1.2 CC1=NNC(S)=N1 ALBB-014802 [1,0,0,0,1,0|2,0,0]=4 155 B7R1.2 CN1C=CC(N)=N1 ALBB-004727 [1,0,0,0,1,0|2,0,0]=4 156 B7R1.2 CN1C=CC(N)=N1 ALBB-004727 [1,0,0,0,1,0|2,0,0]=4 157 B7R1.4 CC1=C(Br)C=NN1 ALBB-006927 [1,0,0,0,1,0|2,0,0]=4 158 B7R1.4 CN1C=NC=C1Cl ALBB-008663 [1,0,0,0,1,0|2,0,0]=4