0 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 Z9474 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.28 C=CCC#CC1=CC=CC=C1 1010AQ [1,0,0,0,0,0|1,0,2]=4 8 B11R1.28 C=CCOBrC1=CC=CC=C1 X5225 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [1,0,0,0,0,0|2,0,0]=3 10 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [1,0,0,0,0,0|1,0,1]=3 14 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [1,0,0,0,0,0|0,0,0]=1 16 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 S=C=NCCC1=CC=CC=C1 J70186 [1,0,0,0,0,0|1,1,1]=4 20 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 8635AH [0,1,0,0,0,0|3,0,0]=4 21 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 6102AC [0,1,0,0,0,0|3,0,0]=4 22 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 3422AD [0,1,0,0,0,0|3,0,0]=4 23 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2633AJ [0,1,0,0,0,0|0,0,0]=1 24 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2634AJ [0,1,0,0,0,0|0,0,0]=1 25 B13R1.45 N\C(=N/CC(=O)O)C1=CC=CC=C1 0280AE [0,1,0,0,0,0|1,0,1]=3 26 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 5808AE [0,1,0,0,0,0|1,0,1]=3 27 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 6803AD [0,1,0,0,0,0|2,0,1]=4 28 B13R1.149 CC(=O)OCCC1=CC(Br)=CC=C1 AMTH291 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 5501AC [0,1,0,0,0,0|0,0,0]=1 30 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 2505AL [0,1,0,0,0,0|0,0,0]=1 31 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 5613AJ [0,1,0,0,0,0|1,0,0]=2 32 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 9371AD [0,1,0,0,0,0|1,0,0]=2 33 B13R1.348 CC(O)CN(C)CC1=CC=CC=C1 AMTGC606 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 1874AE [0,1,0,0,0,0|1,0,0]=2 35 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CN=C1 2462AB [0,1,0,0,0,0|1,0,0]=2 36 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,1,0,0,0,0|2,0,0]=3 37 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O 3119AH [0,1,0,0,0,0|1,0,0]=2 38 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [0,1,0,0,0,0|1,0,0]=2 40 B13R1.513 CN(C)CCCC1=CC=C(N)C=C1 3207AE [0,1,0,0,0,0|3,0,0]=4 41 B13R1.718 COC(=O)CCNC1=CC=CC=C1 W4523 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 1163AL [0,1,0,0,0,0|0,0,2]=3 43 B13R1.718 NCC(O)COCC1=CC=CC=C1 2756AF [0,1,0,0,0,0|2,0,1]=4 44 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 Z5925 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 5861AA [0,1,0,0,0,0|2,0,0]=3 46 B13R1.718 OC(CBr)COCC1=CC=CC=C1 4774AL [0,1,0,0,0,0|2,0,1]=4 47 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 J11104 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.3523 C[Si](C)(Cl)CCCC1=CC=CC=C1 7366AL [0,1,0,0,0,0|2,1,0]=4 49 B13R1.3523 Cl[Si](Cl)(Cl)CCCC1=CC=CC=C1 9259AL [0,1,0,0,0,0|2,1,0]=4 50 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 0683AE [0,1,0,0,0,0|2,0,1]=4 51 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [0,0,0,1,0,0|1,0,1]=3 52 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 2386AJ [0,0,0,1,0,0|1,0,0]=2 53 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [0,0,0,1,0,0|1,0,0]=2 54 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 9678AA [0,0,0,1,0,0|2,1,0]=4 55 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 9847AB [0,0,0,1,0,0|2,0,1]=4 56 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 Y8504 [0,0,0,1,0,0|1,0,2]=4 57 B13R2.72 O=C(O)C1COC2=CC=CC=C21 5259AB [0,0,0,1,0,0|1,0,0]=2 58 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 X7950 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.72 O=C(O)C1NCC2=CC=CC=C21 1356AJ [0,0,0,1,0,0|1,0,0]=2 60 B13R2.163 O=C1CC2=C(C=CC=C2)CCN1 8051AA [0,0,0,1,0,0|2,0,0]=3 61 B13R2.163 O=C1CCOC2=CC=CC=C2N1 9348AJ [0,0,0,1,0,0|2,0,0]=3 62 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 8324AB [0,0,0,1,0,0|0,0,0]=1 63 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 1279AJ [0,0,0,1,0,0|1,0,0]=2 64 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [0,0,0,1,0,0|0,0,0]=1 65 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,1,0|3,0,0]=4 66 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,1,0|2,0,0]=3 67 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,1,0|2,0,0]=3 69 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,1,0|3,0,0]=4 70 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,1,0|2,0,0]=3 71 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,0,0,0,1,0|3,0,0]=4 72 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,1,0|3,0,0]=4 73 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,0,0,0,1,0|1,0,2]=4 75 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [0,0,0,0,1,0|1,0,2]=4 76 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,1,0|2,0,0]=3 77 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,0,0,0,1,0|2,0,0]=3 78 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,1,0|2,0,0]=3 79 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,0,0,0,1,0|0,0,3]=4 80 B11R1.172 O=C(O)CCCN1C=CC=N1 8733AC [0,0,0,0,1,0|2,0,0]=3 81 B11R1.172 O=C(O)CCCN1C=CN=C1 8713AE [0,0,0,0,1,0|2,0,0]=3 82 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,0,0,0,1,0|2,0,0]=3 83 B11R1.172 O=C(O)CSCC1=CC=CS1 4298AE [0,0,0,0,1,0|2,0,0]=3 84 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5292AD [0,0,0,0,0,1|1,0,0]=2 85 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 9502AC [0,0,0,0,0,1|1,0,0]=2 86 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 4425AF [0,0,0,0,0,1|2,0,0]=3 87 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 8923AD [0,0,0,0,0,1|2,0,0]=3 88 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 7037AE [0,0,0,0,0,1|0,0,0]=1 89 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5293AE [0,0,0,0,0,1|0,0,0]=1 90 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [1,0,1,0,0,0|1,0,1]=4 91 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.17 NCCCC1=CC=CC=N1 7820AA [2,0,0,0,0,0|2,0,0]=4 94 B10R1.17 NCCCC1=CC=CN=C1 X2118 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.17 NCCCC1=CC=NC=C1 2037AJ [2,0,0,0,0,0|2,0,0]=4 96 B10R1.17 NCCSC1=CC=CC=C1 6800AD [2,0,0,0,0,0|2,0,0]=4 97 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|1,0,0]=3 98 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [2,0,0,0,0,0|2,0,0]=4 99 B10R1.17 OCCCC1=CCC=CC1 X3903 [2,0,0,0,0,0|0,0,2]=4 100 B10R1.17 OCCSC1=CC=CC=C1 K990 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [2,0,0,0,0,0|1,0,1]=4 102 B12R1.1 OCCCCC1=CC=C(Br)C=C1 2484AJ [1,1,0,0,0,0|0,0,1]=3 103 B12R1.1 OCCNCC1=CC=C(F)C=C1 8610AC [1,1,0,0,0,0|1,0,1]=4 104 B12R1.1 OCCOCC1=CC=C(Cl)C=C1 0828AD [1,1,0,0,0,0|1,0,1]=4 105 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [1,1,0,0,0,0|2,0,0]=4 106 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,1,0,0,0,0|2,0,0]=4 107 B12R1.8 ClCCCCOC1=CC=CC=C1 U779 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.8 N#CCCCOC1=CC=CC=C1 2807AL [1,1,0,0,0,0|1,0,1]=4 109 B12R1.8 N#CCCNCC1=CC=CC=C1 1395AF [1,1,0,0,0,0|1,0,1]=4 110 B12R1.8 NCCCCOC1=CC=CC=C1 V3692 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [1,1,0,0,0,0|1,0,1]=4 112 B12R1.8 O=CCCOCC1=CC=CC=C1 Y8137 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.8 OCCC\C=C\C1=CC=CC=C1 1994AH [1,1,0,0,0,0|0,0,2]=4 114 B12R1.8 OCCSCCC1=CC=NC=C1 9675AE [1,1,0,0,0,0|1,0,1]=4 115 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [1,1,0,0,0,0|1,0,1]=4 116 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Y7489 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.28 C=CCOCC1=CC(Br)=CC=C1 Z0894 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 2547AC [1,1,0,0,0,0|1,0,1]=4 119 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 1383AC [1,1,0,0,0,0|1,0,1]=4 120 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 7385AE [1,1,0,0,0,0|1,0,1]=4 121 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,1,0,0,1,0|2,0,0]=4 122 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [0,1,0,0,1,0|1,0,0]=3 123 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,1,0|1,0,0]=3 124 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [0,1,0,0,1,0|2,0,0]=4 125 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [0,1,0,0,1,0|1,0,1]=4 126 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,1,0,0,1,0|1,0,0]=3 127 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,1,0,0,1,0|1,0,0]=3 128 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [0,1,0,0,1,0|1,0,1]=4 129 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [0,1,0,0,1,0|1,0,0]=3 131 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,1,0,0,1,0|0,0,2]=4 132 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,1,0,0,1,0|0,0,2]=4 133 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [0,1,0,0,1,0|1,0,0]=3 135 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,1,0|1,0,0]=3 136 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,1,0|1,0,0]=3 137 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,1,0,0,1,0|2,0,0]=4 138 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,1,0,0,1,0|2,0,0]=4 139 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,1,0|0,0,0]=2 140 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,1,0|1,0,0]=3 141 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,1,0|1,0,0]=3 142 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,1,0,0,1,0|1,0,1]=4 144 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,1,0,0,1,0|1,0,0]=3 145 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,1,0|0,0,0]=2 146 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [0,1,0,0,1,0|1,0,0]=3 147 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [0,1,0,0,1,0|2,0,0]=4 148 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,1,0,0,1,0|0,0,2]=4 149 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,1,0|1,0,0]=3 150 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [0,1,0,0,1,0|2,0,0]=4 151 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [0,1,0,0,1,0|1,0,0]=3 152 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [0,1,0,0,1,0|1,0,0]=3 153 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [0,1,0,0,1,0|1,0,0]=3 154 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,1,0|1,0,0]=3 155 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [0,1,0,0,1,0|0,0,2]=4 156 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,1,0,0,1,0|1,0,0]=3 157 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,1,0,0,1,0|0,0,2]=4 158 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,1,0,0,1,0|0,0,0]=2 159 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [0,1,0,0,1,0|0,0,2]=4 160 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Y6084 [0,1,0,0,1,0|1,0,1]=4 161 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 8241AC [0,1,0,0,1,0|1,0,1]=4 162 B12R1.130 CC1=NC=CN1CCCC(=O)O 8732AC [0,1,0,0,1,0|2,0,0]=4 163 B12R1.260 CC(CC(=O)O)SC1=CC=CS1 3512AA [0,1,0,0,1,0|2,0,0]=4 164 B12R1.260 C[C@@H](CC(=O)O)SC1=CC=CS1 Z2149 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.260 N[C@@H](CC(=O)O)CC1=CSC=C1 4352AH [0,1,0,0,1,0|1,0,0]=3 166 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 4422AH [0,1,0,0,1,0|1,0,0]=3 167 B12R1.260 N[C@H](CC(=O)O)CC1=CSC=C1 4423AH [0,1,0,0,1,0|1,0,0]=3 168 B14R1.148 O=C(O)CCCOC1=CC(F)=CC=C1 1224AF [0,1,0,0,0,1|0,0,0]=2 169 B14R1.159 NC(=O)CCNCC1=C(Cl)C=CC=C1 9943AE [0,1,0,0,0,1|1,0,0]=3 170 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F 7701AD [0,1,0,0,0,1|0,0,0]=2 171 B14R1.423 CN(CCC(=O)O)CC1=CC=CN=C1 0234AD [0,1,0,0,0,1|1,0,0]=3 172 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 R159 [0,1,0,0,0,1|1,0,1]=4 173 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 7452AH [0,1,0,0,0,1|2,0,0]=4 174 B14R1.677 CC(=O)OCCOC1=CC=C(Br)C=C1 AMTH095 [0,1,0,0,0,1|2,0,0]=4 175 B14R1.677 CC(=O)OCCOC1=CC=C(C)C=C1 6178AL [0,1,0,0,0,1|2,0,0]=4 176 B14R1.677 CC(O)CNCCC1=CC=C(Cl)C=C1 3023AC [0,1,0,0,0,1|1,0,1]=4 177 B14R1.677 CC1=CC=C(CCCCC(=O)O)C=C1 5730AH [0,1,0,0,0,1|0,0,0]=2 178 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 8236AD [0,1,0,0,0,1|0,0,0]=2 179 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 8115AB [0,1,0,0,0,1|0,0,0]=2 180 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [0,1,0,0,0,1|0,0,0]=2 181 B14R1.716 OC[C@@H](O)CCOCC1=CC=CC=C1 4218AL [0,1,0,0,0,1|0,0,2]=4 182 B14R1.716 OC[C@H](O)CCOCC1=CC=CC=C1 Y1253 [0,1,0,0,0,1|0,0,2]=4 183 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O 4535AB [0,1,0,0,0,1|0,0,0]=2 184 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O 1478AB [0,1,0,0,0,1|0,0,0]=2 185 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 Y7358 [0,1,0,0,0,1|0,0,0]=2 186 B14R1.149 CC1=CC(C(=O)CCC(=O)O)=CC=C1 6394AE [0,2,0,0,0,0|0,0,1]=3 187 B14R1.149 O=C(O)CCC(=O)C1=CC(Cl)=CC=C1 9529AB [0,2,0,0,0,0|0,0,1]=3 188 B14R1.149 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 5946AE [0,2,0,0,0,0|1,0,1]=4 189 B14R1.160 NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl X3698 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.160 NC(=O)OC[C@H](O)C1=CC=CC=C1Cl X3697 [0,2,0,0,0,0|2,0,0]=4 191 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 6070AH [0,2,0,0,0,0|1,0,1]=4 192 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1I 7338AA [0,2,0,0,0,0|1,0,1]=4 193 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 8400AA [0,2,0,0,0,0|1,0,1]=4 194 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 5122AE [0,2,0,0,0,0|0,0,1]=3 195 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 5246AB [0,2,0,0,0,0|0,0,1]=3 196 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 6209AA [0,2,0,0,0,0|1,0,1]=4 197 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 4943AH [0,2,0,0,0,0|1,0,1]=4 198 B14R1.76 N#CC1=CC=CC(OCCC(=O)O)=C1 5636AJ [0,2,0,0,0,0|1,0,0]=3 199 B14R1.687 CC1=C(F)C=CC(CCCC(=O)O)=C1 3795AB [0,2,0,0,0,0|0,0,0]=2 200 B14R1.687 O=C(O)CSCC1=CC(Cl)=C(Cl)C=C1 7426AE [0,2,0,0,0,0|1,0,0]=3 201 B14R1.96 COC1=CC=CC=C1CCCC(=O)O 0455AE [0,2,0,0,0,0|0,0,0]=2 202 B14R1.96 COC1=CC=CC=C1CCNC(N)=O 8230AE [0,2,0,0,0,0|2,0,0]=4 203 B14R1.96 N#CC1=C(OCCC(=O)O)C=CC=C1 5616AJ [0,2,0,0,0,0|1,0,0]=3 204 B14R1.161 NC(CCC1=C(Cl)C=CC=C1)C(=O)O 4749AA [0,2,0,0,0,0|0,0,0]=2 205 B14R1.337 CC1=CC=CC=C1C[C@H](N)CC(=O)O Z5882 [0,2,0,0,0,0|0,0,0]=2 206 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 5367AB [0,2,0,0,0,0|0,0,0]=2 207 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 2444AB [0,2,0,0,0,0|0,0,0]=2 208 B14R1.337 N[C@H](CC(=O)O)CC1=C(Br)C=CC=C1 5427AB [0,2,0,0,0,0|0,0,0]=2 209 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1F 1893AB [0,2,0,0,0,0|0,0,0]=2 210 B14R1.4464 NC(=O)CCCC1=CC=C(Br)C=C1F Z9788 [0,2,0,0,0,0|1,0,0]=3 211 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 6171AH [0,2,0,0,0,0|1,0,0]=3 212 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O X9722 [0,2,0,0,0,0|0,0,0]=2 213 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [0,2,0,0,0,0|0,0,0]=2 214 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 4247AF [0,2,0,0,0,0|1,0,1]=4 215 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 Z5798 [0,2,0,0,0,0|0,0,0]=2 216 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(O)C=C1 W5529 [0,2,0,0,0,0|0,0,0]=2 217 B14R1.1485 CC(=O)CC(C)(C)NC1=CC=CC=C1 1547AF [0,2,0,0,0,0|2,0,0]=4 218 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O V1131 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [0,2,0,0,0,0|0,0,0]=2 220 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 4198AF [0,2,0,0,0,0|1,0,0]=3 221 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 5252AJ [0,2,0,0,0,0|1,0,0]=3 222 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 2318AL [0,2,0,0,0,0|1,0,0]=3 223 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 5194AH [0,2,0,0,0,0|1,0,0]=3 224 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 4263AJ [0,2,0,0,0,0|0,0,0]=2 225 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 7002AJ [0,2,0,0,0,0|1,0,0]=3 226 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 2152AE [0,2,0,0,0,0|2,0,0]=4 227 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 9674AB [0,2,0,0,0,0|1,0,0]=3 228 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 5629AE [0,2,0,0,0,0|0,0,2]=4 229 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 0974AD [0,2,0,0,0,0|0,0,2]=4 230 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 4782AE [0,2,0,0,0,0|2,0,0]=4 231 B12R1.255 O=C(O)CCCCC1=CC=CS1 M841 [0,0,1,1,0,0|1,0,1]=4 232 B12R2.1 CNC1CCC2=C1C=CC=C2 4152AJ [1,0,0,1,0,0|2,0,0]=4 233 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [1,0,0,1,0,0|2,0,0]=4 234 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z4520 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.1 NCC1CCC2=C1C=CC=C2 Y9439 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.1 OCC1CCC2=C1C=CC=C2 5329AJ [1,0,0,1,0,0|0,0,1]=3 237 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [1,0,0,1,0,0|1,0,1]=4 238 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [1,0,0,1,0,0|2,0,0]=4 239 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [1,0,0,1,0,0|1,0,1]=4 240 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [1,0,0,1,0,0|0,0,1]=3 242 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [1,0,0,1,0,0|1,0,1]=4 243 B12R2.41 C1=CC=C2OCCCNC2=C1 9283AJ [1,0,0,1,0,0|1,0,1]=4 244 B12R2.41 C1=CC=C2OCCNCC2=C1 7409AD [1,0,0,1,0,0|1,0,1]=4 245 B12R2.41 C1=CC=C2OCCNCC2=C1 9326AA [1,0,0,1,0,0|1,0,1]=4 246 B12R2.1081 NN1CCCC2=C1C=CC=C2 6035AE [1,0,0,1,0,0|2,0,0]=4 247 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [1,0,0,1,0,0|1,0,1]=4 248 B12R2.1081 O=C1CCCC2=C1C=CN=C2 1097AB [1,0,0,1,0,0|1,0,0]=3 249 B12R2.1081 O=C1CCOC2=CC=CN=C12 Z4709 [1,0,0,1,0,0|2,0,0]=4 250 B12R2.1081 O=C1COCC2=C1C=CC=C2 W4380 [1,0,0,1,0,0|1,0,0]=3 251 B12R2.1081 O=C1NCCC2=C1C=CC=N2 Y7639 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.1081 O=C1NCCC2=C1N=CC=C2 Y3276 [1,0,0,1,0,0|2,0,0]=4 253 B12R2.1081 OC1CNCC2=CC=CC=C21 9571AH [1,0,0,1,0,0|1,0,1]=4 254 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [1,0,0,1,0,0|1,0,1]=4 255 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [1,0,0,1,0,0|0,0,1]=3 256 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [1,0,0,1,0,0|1,0,1]=4 257 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,1,0|1,0,0]=3 258 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,1,0|2,0,0]=4 259 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,0,0,1,1,0|2,0,0]=4 260 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [0,0,0,1,1,0|1,0,0]=3 261 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,1,0|2,0,0]=4 262 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,1,1,0|2,0,0]=4 263 B12R2.114 O=C1CCCC2=C(C=CS2)N1 Z4781 [0,0,0,1,1,0|2,0,0]=4 264 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 1904AJ [0,0,0,1,1,0|1,0,0]=3 265 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 5606AA [0,0,0,1,0,1|0,0,0]=2 266 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 B148 [0,0,0,1,0,1|2,0,0]=4 267 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,1|1,0,0]=3 268 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 2634AL [0,0,0,1,0,1|1,0,0]=3 269 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 5959AD [0,0,0,1,0,1|1,0,0]=3 270 B14R2.19 O=C1CN(CC2=CC=CC=C2)CN1 X5131 [0,0,0,1,0,1|2,0,0]=4 271 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 7199AA [0,0,0,1,0,1|1,1,0]=4 272 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [0,0,0,1,0,1|1,0,0]=3 273 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8707AC [0,0,0,1,0,1|2,0,0]=4 274 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8710AC [0,0,0,1,0,1|2,0,0]=4 275 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 W3242 [0,0,0,1,0,1|1,0,0]=3 276 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [0,0,0,1,0,1|1,0,0]=3 277 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [0,0,0,1,0,1|1,0,0]=3 278 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [0,0,0,1,0,1|1,0,0]=3 279 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 W3222 [0,0,0,1,0,1|1,0,0]=3 280 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 6503AD [0,0,0,1,0,1|1,0,0]=3 281 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 8160AC [0,0,0,1,0,1|1,0,0]=3 282 B14R2.21 OC1CCCN(C2=CC=CC=C2)C1 W8551 [0,0,0,1,0,1|1,0,1]=4 283 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 1539AB [0,0,0,1,0,1|1,0,1]=4 284 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 5887AA [0,0,0,1,0,1|0,0,0]=2 285 B14R2.31359 O=C(O)C1CNCC2=CC=CC=C21 2660AA [0,0,0,1,0,1|0,0,0]=2 286 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 W7223 [0,0,0,1,0,1|0,0,0]=2 287 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 7283AH [0,0,0,1,0,1|0,0,0]=2 288 B14R2.31359 O=C(O)[C@H]1NCCC2=C1C=CC=C2 4399AH [0,0,0,1,0,1|0,0,0]=2 289 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 V6312 [0,1,0,1,0,0|1,0,1]=4 290 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 7325AC [0,1,0,1,0,0|1,0,1]=4 291 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 2478AE [0,1,0,1,0,0|1,0,0]=3 292 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 7848AB [0,1,0,1,0,0|1,0,1]=4 293 B14R2.22 NC1=CC(C2CNC(=O)C2)=CC=C1 X9311 [0,1,0,1,0,0|2,0,0]=4 294 B14R2.300 CC(=O)N1CCC2=C1C=CC(O)=C2 6513AB [0,1,0,1,0,0|2,0,0]=4 295 B14R2.390 O=C1CCCC2=C(N1)C(F)=CC=C2 2490AA [0,1,0,1,0,0|1,0,0]=3 296 B14R2.4476 O=C(O)C1CC1C2=CC(Cl)=CC=C2 5208AJ [0,1,0,1,0,0|0,0,0]=2 297 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(F)=CC=C2 4676AJ [0,1,0,1,0,0|0,0,0]=2 298 B14R2.768 O=C(O)C=C1CC2=C(C=CC=C2)C1 4153AJ [0,1,0,1,0,0|0,0,2]=4 299 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 4606AB [0,1,0,1,0,0|1,0,0]=3 300 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 5709AB [0,1,0,1,0,0|2,0,0]=4 301 B14R2.781 NC(=O)C1CCC2=C(C=CC=C2)N1 3193AF [0,1,0,1,0,0|1,0,0]=3 302 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 1717AE [0,1,0,1,0,0|2,0,0]=4 303 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 Y8342 [0,1,0,1,0,0|1,0,1]=4 304 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 Z3947 [0,1,0,1,0,0|1,0,0]=3 305 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 6436AD [0,1,0,1,0,0|1,0,0]=3 306 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9090AH [0,1,0,1,0,0|0,0,0]=2 307 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 9091AH [0,1,0,1,0,0|0,0,0]=2 308 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 8936AH [0,1,0,1,0,0|0,0,0]=2 309 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 5186AJ [0,1,0,1,0,0|0,0,0]=2 310 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 5190AJ [0,1,0,1,0,0|0,0,0]=2 311 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N Z2209 [0,1,0,1,0,0|2,0,0]=4 312 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O 9979AA [0,1,0,1,0,0|2,0,0]=4 313 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 2770AL [0,1,0,1,0,0|1,0,1]=4 314 B14R2.741 NC1CCC2=CC=CC=C2NC1=O W8886 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.741 N[C@@H]1CCC2=C(C=CC=C2)NC1=O 8993AH [0,1,0,1,0,0|1,0,0]=3 316 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 8017AH [0,1,0,1,0,0|2,0,0]=4 317 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 2535AL [0,1,0,1,0,0|2,0,0]=4 318 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)N1 2692AB [0,1,0,1,0,0|1,0,0]=3 319 B14R2.5816 O=C(O)C1CCC2=C1C=C(Cl)C=C2 Z4829 [0,1,0,1,0,0|0,0,0]=2 320 B14R2.95 COC(=O)C1CCC2=CC=CC=C21 2360AB [0,1,0,1,0,0|0,0,0]=2 321 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 3108AA [0,1,0,1,0,0|1,0,0]=3 322 B14R2.95 COC(=O)C1CNC2=CC=CC=C21 5260AB [0,1,0,1,0,0|1,0,0]=3 323 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 2297AD [0,1,0,1,0,0|2,0,0]=4 324 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 8962AE [0,1,0,1,0,0|2,0,0]=4 325 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 5526AD [0,1,0,1,0,0|2,0,0]=4 326 B14R2.279 NC1C2=C(C=CC=C2)CCCC1O 7860AB [0,1,0,1,0,0|1,0,1]=4 327 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 1834AE [0,1,0,1,0,0|1,0,0]=3 328 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,2,0|2,0,0]=4 329 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,0,0,0,2,0|1,0,1]=4 330 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,2,0|2,0,0]=4 331 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,0,0,0,2,0|2,0,0]=4 332 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,2,0|1,0,0]=3 333 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [0,0,0,0,2,0|2,0,0]=4 334 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,2,0|1,0,0]=3 335 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [0,0,0,0,2,0|2,0,0]=4 336 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [0,0,0,0,2,0|2,0,0]=4 337 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [0,0,0,0,2,0|2,0,0]=4