0 B9R1.12 CCCCC1=CC=CO1 5552AL [0,0,0,0,0,0|1,0,0]=1 1 B9R1.12 CCCCC1=NN=CO1 6161AC [0,0,0,0,0,0|3,0,0]=3 2 B9R1.12 CCNCC1=CSC=N1 4173AF [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CCOCC1=NC=CN1 V7222 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.12 CNCCC1=CC=CS1 8340AC [0,0,0,0,0,0|2,1,0]=3 5 B9R1.12 NCCCC1=CC=CO1 3731AE [0,0,0,0,0,0|2,0,0]=2 6 B9R1.12 NCCCC1=CC=CS1 6482AE [0,0,0,0,0,0|2,1,0]=3 7 B9R1.12 O=C=NCC1=CC=CS1 8554AE [0,0,0,0,0,0|2,1,1]=4 8 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 OCCCN1C=CC=C1 1412AL [0,0,0,0,0,0|4,0,0]=4 10 B9R1.12 S=C=NCC1=CC=CO1 4029AE [0,0,0,0,0,0|2,0,1]=3 11 B8R1.8 BrCCC1=CC=CS1 Z5496 [1,0,0,0,0,0|1,1,0]=3 12 B8R1.8 BrCCC1=CSC=C1 W7060 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 BrCCN1C=CC=C1 Y4087 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 CCCC1=CC=CO1 Z5525 [1,0,0,0,0,0|0,0,0]=1 15 B8R1.8 CCCC1=CSC=C1 Z5466 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.8 CCCC1=NCCO1 5790AL [1,0,0,0,0,0|1,0,2]=4 17 B8R1.8 CCCC1=NN=CO1 5829AA [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 CCNC1=CC=CS1 W4294 [1,0,0,0,0,0|1,1,0]=3 19 B8R1.8 CCNC1=NC=CS1 4125AJ [1,0,0,0,0,0|2,1,0]=4 20 B8R1.8 CNCC1=CC=NN1 0420AC [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CNCC1=CC=NO1 4172AJ [1,0,0,0,0,0|2,0,0]=3 22 B8R1.8 CNCC1=COC=C1 7832AD [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CNCC1=CSC=N1 3622AA [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CNCC1=NC=CN1 4097AE [1,0,0,0,0,0|3,0,0]=4 25 B8R1.8 CNCC1=NC=CS1 4356AD [1,0,0,0,0,0|2,1,0]=4 26 B8R1.8 CNCC1=NOC=C1 4335AJ [1,0,0,0,0,0|3,0,0]=4 27 B8R1.8 CNCC1=NOC=C1 7285AH [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 COCN1C=CN=C1 X6041 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 ClCCC1=CNC=N1 X4176 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.8 ClCCN1C=CC=C1 X4634 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.8 N#CCC1=CC=CN1 1010AJ [1,0,0,0,0,0|2,0,1]=4 32 B8R1.8 NCCC1=CC=CN1 1070AJ [1,0,0,0,0,0|2,0,0]=3 33 B8R1.8 NCCC1=CC=CN1 5556AB [1,0,0,0,0,0|2,0,0]=3 34 B8R1.8 NCCC1=CSC=N1 2066AC [1,0,0,0,0,0|3,0,0]=4 35 B8R1.8 NCCC1=NC=CN1 9985AA [1,0,0,0,0,0|3,0,0]=4 36 B8R1.8 NCCC1=NC=CS1 5806AE [1,0,0,0,0,0|2,1,0]=4 37 B8R1.8 NCCC1=NC=CS1 Y1661 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.8 NCCC1=NNC=C1 4102AD [1,0,0,0,0,0|3,0,0]=4 39 B8R1.8 NCCN1C=CC=C1 3045AB [1,0,0,0,0,0|3,0,0]=4 40 B8R1.8 OCCC1=CSC=C1 J11110 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.8 OCCC1=NNC=C1 1008AJ [1,0,0,0,0,0|3,0,0]=4 42 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [0,1,0,0,0,0|1,0,1]=3 43 B10R1.11 CCCC(N)C1=CC=CS1 4090AE [0,1,0,0,0,0|1,1,0]=3 44 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [0,1,0,0,0,0|1,0,0]=2 45 B10R1.16 CCNCC1=NN=C(C)O1 2038AF [0,1,0,0,0,0|3,0,0]=4 46 B10R1.16 CCOCC1=CNC(Br)=N1 V8014 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.16 CCOCC1=CNC(Cl)=N1 V8015 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.16 CCOCC1=NN=C(N)S1 5023AD [0,1,0,0,0,0|2,1,0]=4 49 B10R1.21 CCNCCN1C=CC=N1 7261AJ [0,1,0,0,0,0|3,0,0]=4 50 B10R1.21 CNCCCC1=CC=CO1 5597AD [0,1,0,0,0,0|1,0,0]=2 51 B10R1.21 OCCNCC1=CC=CO1 3755AE [0,1,0,0,0,0|1,0,0]=2 52 B10R1.29 CCNCC1=NC=CN1C 7295AE [0,1,0,0,0,0|3,0,0]=4 53 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [0,1,0,0,0,0|1,0,1]=3 54 B10R1.66 CN(C)\N=C\C1=CC=CO1 0768AQ [0,1,0,0,0,0|2,0,1]=4 55 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,1,0,0,0,0|2,0,1]=4 56 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,0,1,0,0,0|1,0,2]=4 57 B10R2.7 C1=CN2CCNCC2=C1 1057AC [0,0,0,1,0,0|2,0,0]=3 58 B10R2.7 C1=CN2CCNCC2=N1 3012AJ [0,0,0,1,0,0|3,0,0]=4 59 B10R2.7 C1=NC2=C(CCCC2)N1 1363AB [0,0,0,1,0,0|3,0,0]=4 60 B10R2.7 C1=NC2=C(CCNC2)N1 W7879 [0,0,0,1,0,0|3,0,0]=4 61 B10R2.7 C1=NC2=C(CCOC2)N1 9625AH [0,0,0,1,0,0|2,0,0]=3 62 B10R2.7 C1=NC2=C(CNCC2)S1 Z4015 [0,0,0,1,0,0|2,1,0]=4 63 B10R2.7 C1=NC=C2CNCCN12 W3608 [0,0,0,1,0,0|3,0,0]=4 64 B10R2.7 C1=NC=C2CNCCN12 Z4926 [0,0,0,1,0,0|3,0,0]=4 65 B10R2.7 C1=NN2CCNCC2=C1 8430AA [0,0,0,1,0,0|3,0,0]=4 66 B10R2.136 C1=CSC(C2CCN2)=C1 9646AE [0,0,0,1,0,0|1,1,0]=3 67 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,0,0,0,0,1|2,0,0]=3 69 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [0,0,0,0,0,1|2,0,0]=3 70 B10R1.17 CNCCC1=CC=NC=C1 5552AE [0,0,0,0,0,1|3,0,0]=4 71 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,0,0,0,0,1|3,0,0]=4 72 B10R1.17 CNCCC1=CC=NC=C1 X8552 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.17 NCCCC1=CC=CC=N1 7820AA [0,0,0,0,0,1|3,0,0]=4 74 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.17 NCCCC1=CC=NC=C1 2037AJ [0,0,0,0,0,1|3,0,0]=4 76 B10R1.17 OCCCC1=CCC=CC1 X3903 [0,0,0,0,0,1|3,0,0]=4 77 B7R0.1 C=CCOCCCC 7029AL [1,0,1,0,0,0|0,0,2]=4 78 B7R0.1 CCCC\C=C\CO 9204AL [1,0,1,0,0,0|0,0,2]=4 79 B7R0.7 C=C=CC(=O)OCC 4330AD [1,0,1,0,0,0|0,0,2]=4 80 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,0,1,0,0,0|1,0,1]=4 81 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,0,1,0,0,0|1,0,1]=4 82 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,0,1,0,0,0|1,0,1]=4 83 B7R1.1 CCC1=CC=NO1 3273AB [2,0,0,0,0,0|1,0,0]=3 84 B7R1.1 CCC1=CNC=N1 6226AL [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 CCC1=NNC=C1 6654AA [2,0,0,0,0,0|2,0,0]=4 86 B7R1.1 COC1=CC=CO1 2109AL [2,0,0,0,0,0|0,0,0]=2 87 B7R1.1 CSC1=NC=CO1 6777AD [2,0,0,0,0,0|1,1,0]=4 88 B7R1.1 ClCC1=CC=NO1 8534AB [2,0,0,0,0,0|2,0,0]=4 89 B7R1.1 NCC1=CC=CN1 W7617 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.1 NCC1=CC=NO1 6076AB [2,0,0,0,0,0|2,0,0]=4 91 B7R1.1 NCC1=NC=CO1 0960AA [2,0,0,0,0,0|2,0,0]=4 92 B7R1.1 OCC1=CNC=N1 W5446 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.1 OCC1=NNC=C1 X6393 [2,0,0,0,0,0|2,0,0]=4 94 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,1,1,0,0,0|1,0,1]=4 95 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [1,1,0,0,0,0|1,1,0]=4 96 B9R1.7 CC1=CC=C(CCN)S1 9610AD [1,1,0,0,0,0|1,1,0]=4 97 B9R1.7 CCCC1=NC(C)=CN1 4781AB [1,1,0,0,0,0|2,0,0]=4 98 B9R1.7 CCCN1C=C(N)C=N1 0139AD [1,1,0,0,0,0|2,0,0]=4 99 B9R1.7 CCCN1C=CC(I)=N1 Z9713 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.7 CCCN1C=CC(N)=N1 4368AF [1,1,0,0,0,0|2,0,0]=4 101 B9R1.7 CCOC1=CC(N)=NO1 5802AJ [1,1,0,0,0,0|1,0,0]=3 102 B9R1.7 CNCC1=CC=C(Br)O1 2148AF [1,1,0,0,0,0|1,0,0]=3 103 B9R1.7 CNCC1=CC=C(C)S1 5250AC [1,1,0,0,0,0|1,1,0]=4 104 B9R1.7 CNCC1=CC=C(Cl)S1 V7410 [1,1,0,0,0,0|1,1,0]=4 105 B9R1.7 COCN1C=C(N)C=N1 0110AA [1,1,0,0,0,0|2,0,0]=4 106 B9R1.7 NCCC1=CC(Br)=CS1 1027AJ [1,1,0,0,0,0|1,1,0]=4 107 B9R1.7 NCCC1=CC(Br)=CS1 1159AJ [1,1,0,0,0,0|1,1,0]=4 108 B9R1.7 NCCC1=CC=C(Br)S1 1209AJ [1,1,0,0,0,0|1,1,0]=4 109 B9R1.7 NCCC1=CC=C(Cl)S1 1213AJ [1,1,0,0,0,0|1,1,0]=4 110 B9R1.7 OCCC1=CC(Br)=NO1 8147AC [1,1,0,0,0,0|2,0,0]=4 111 B9R1.11 COC(=O)C1=CN=CO1 Y7252 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.11 NCC(O)C1=CC=CO1 8969AD [1,1,0,0,0,0|1,0,0]=3 113 B9R1.11 O=C(CBr)C1=CC=CO1 Y7600 [1,1,0,0,0,0|1,0,1]=4 114 B9R1.11 OC[C@@H](O)C1=CC=CO1 1030AL [1,1,0,0,0,0|1,0,0]=3 115 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [1,1,0,0,0,0|0,1,1]=4 116 B9R1.13 CC(N)CC1=CC=CO1 8493AB [1,1,0,0,0,0|0,0,0]=2 117 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [1,1,0,0,0,0|0,0,0]=2 118 B9R1.13 CN(C)CC1=CC=CN1 4514AD [1,1,0,0,0,0|2,0,0]=4 119 B9R1.13 CN(C)CC1=CC=CS1 2203AB [1,1,0,0,0,0|1,1,0]=4 120 B9R1.33 CCCC1=C(C)SC=C1 V3396 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.33 CN1C=CC=C1CCN 1703AL [1,1,0,0,0,0|2,0,0]=4 122 B9R1.33 CNCC1=C(Br)C=CS1 8509AC [1,1,0,0,0,0|1,1,0]=4 123 B9R1.33 CNCC1=C(C)C=CS1 3445AC [1,1,0,0,0,0|1,1,0]=4 124 B9R1.33 CNCC1=CC=CN1C 0547AD [1,1,0,0,0,0|2,0,0]=4 125 B9R1.33 CNCC1=CC=CN1C 8584AD [1,1,0,0,0,0|2,0,0]=4 126 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.1 CCCCC1=CC=C(Cl)N=C1 6440AA [0,1,0,0,0,1|2,0,0]=4 128 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,1,0,0,0,1|2,0,0]=4 129 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [0,1,0,0,0,1|2,0,0]=4 130 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [0,1,0,0,0,1|2,0,0]=4 131 B11R1.1 CCNCC1=CN=C(Cl)C=C1 S696 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [0,1,0,0,0,1|2,0,0]=4 133 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [0,1,0,0,0,1|2,0,0]=4 134 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [0,1,0,0,0,1|2,0,0]=4 135 B11R1.17 CCCCC1=C(C)N=CC=N1 8049AA [0,1,0,0,0,1|2,0,0]=4 136 B11R1.17 CCCCC1=C(N)C=CC=C1 5551AL [0,1,0,0,0,1|2,0,0]=4 137 B11R1.17 CCNCC1=NC=CC=C1C 4242AF [0,1,0,0,0,1|2,0,0]=4 138 B11R1.24 CCCCC1=CC=CC(N)=N1 Y4830 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.24 CCOCC1=NC(N)=CC=N1 3327AB [0,1,0,0,0,1|1,0,0]=3 140 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [0,1,0,0,0,1|2,0,0]=4 142 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [0,1,0,0,0,1|2,0,0]=4 143 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [0,1,0,0,0,1|2,0,0]=4 144 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,1,0,0,0,1|2,0,0]=4 145 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [0,1,0,0,0,1|2,0,0]=4 146 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [0,1,0,0,0,1|2,0,0]=4 147 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [0,1,0,0,0,1|2,0,0]=4 148 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [0,1,0,0,0,1|2,0,0]=4 149 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,1,0,0,0,1|1,0,1]=4 150 B11R1.15 CCOC(=O)C1=CC(C)=CN1 J92712 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.15 CCOC(=O)C1=CC(C)=CN1 X6062 [0,2,0,0,0,0|1,0,1]=4 152 B11R1.15 CCOC(=O)C1=CC(Cl)=CS1 Z4921 [0,2,0,0,0,0|0,1,1]=4 153 B11R1.15 CCOC(=O)C1=CNC(=O)O1 Z7610 [0,2,0,0,0,0|1,0,1]=4 154 B11R1.15 CCOC(=O)C1=NC(C)=CO1 5141AC [0,2,0,0,0,0|1,0,1]=4 155 B11R1.15 CCOC(=O)C1=NC=C(C)O1 3789AB [0,2,0,0,0,0|1,0,1]=4 156 B11R1.29 CCCCC(=O)C1=CC=CO1 Z5508 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.29 CCCCC(=O)C1=CC=CS1 Z5534 [0,2,0,0,0,0|1,1,0]=4 158 B11R1.29 CCSCC(=O)C1=CC=CS1 5708AB [0,2,0,0,0,0|0,2,0]=4 159 B11R1.29 NCCNC(=O)C1=CC=CO1 0052AF [0,2,0,0,0,0|1,0,1]=4 160 B11R1.199 CCOC(=O)C1=C(C)C=CS1 4299AD [0,2,0,0,0,0|0,1,1]=4 161 B11R1.199 CCOC(=O)C1=C(O)C=CS1 0981AB [0,2,0,0,0,0|0,1,1]=4 162 B11R1.199 CCOC(=O)C1=CC=CN1N 9521AB [0,2,0,0,0,0|1,0,1]=4 163 B11R1.27 CC1=CC=C(CNCCO)O1 7558AD [0,2,0,0,0,0|1,0,0]=3 164 B11R1.75 CC1=CC=C(CNC(C)C)O1 0886AF [0,2,0,0,0,0|1,0,0]=3 165 B11R1.214 CCCCC1=CC=C(C=O)S1 4651AF [0,2,0,0,0,0|1,1,0]=4 166 B11R1.4 CC#CCNCC1=CC=CO1 0281AD [0,2,0,0,0,0|1,0,0]=3 167 B11R1.4 CCCCOCC1=CC=CO1 Y1589 [0,2,0,0,0,0|0,0,0]=2 168 B11R1.4 NCCCNCC1=CC=CO1 7438AD [0,2,0,0,0,0|1,0,0]=3 169 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,2,0,0,0,0|1,0,0]=3 170 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [0,2,0,0,0,0|1,0,1]=4 171 B11R1.30 CCOC(=O)CC1=CSC=N1 6665AJ [0,2,0,0,0,0|2,0,0]=4 172 B11R1.30 CCOC(=O)CN1C=CC=N1 0534AA [0,2,0,0,0,0|2,0,0]=4 173 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,2,0,0,0,0|0,1,1]=4 174 B11R1.510 CC(C)(C)NCC1=CC=CO1 9662AC [0,2,0,0,0,0|1,0,0]=3 175 B9R2.2 C1=CN(C2CC2)C=C1 4548AE [1,0,0,1,0,0|2,0,0]=4 176 B9R2.2 C1=CN(C2CC2)N=C1 Z3909 [1,0,0,1,0,0|2,0,0]=4 177 B9R2.2 C1=NC(C2CC2)=CS1 6153AJ [1,0,0,1,0,0|2,0,0]=4 178 B9R2.3 C1=NN2CCCC2=C1 1601AA [1,0,0,1,0,0|2,0,0]=4 179 B11R2.20 C1=CC2=C(C=N1)CCNC2 W5369 [0,0,0,1,0,1|2,0,0]=4 180 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [0,0,0,1,0,1|2,0,0]=4 181 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [0,0,0,1,0,1|2,0,0]=4 182 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [0,0,0,1,0,1|2,0,0]=4 183 B11R2.20 C1=NC=C2CCNCC2=C1 9567AH [0,0,0,1,0,1|2,0,0]=4 184 B11R2.20 C1=NC=C2CNCCC2=C1 6197AB [0,0,0,1,0,1|2,0,0]=4 185 B11R2.2 C1=COC(C2NCCS2)=C1 4793AE [0,1,0,1,0,0|0,1,0]=3 186 B11R2.2 C1=CSC(C2OCCO2)=N1 1700AL [0,1,0,1,0,0|1,1,0]=4 187 B11R2.106 NC1CCCC2=C1C=CS2 6003AE [0,1,0,1,0,0|1,1,0]=4 188 B11R2.10 BrC1=CC2=C(CCCC2)S1 8826AC [0,1,0,1,0,0|1,1,0]=4 189 B11R2.10 NC1=NC2=C(COCC2)S1 W7443 [0,1,0,1,0,0|1,1,0]=4 190 B7R1.7 CCOCC1CO1 7875AL [0,0,0,0,2,0|0,0,2]=4