0 B16R2.12 CC(=O)C(N)CN1CCC2=CC=CC=C12 CNP0342931.0 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.12 CC(=O)C(O)CC1=CNC2=CC=CC=C12 CNP0172351.0 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.12 CC(=O)[C@H](O)CC1=CNC2=CC=CC=C12 CNP0172351.1 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.12 C[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O CNP0234631.1 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.12 N=C(CC1=CNC2=CC=CC=C12)C(=O)O CNP0082174.0 [0,0,0,0,0,0|0,0,2]=2 5 B16R2.12 NC(=CC1=CNC2=CC=CC=C12)C(=O)O CNP0268282.0 [0,0,0,0,0,0|0,0,2]=2 6 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 CNP0346823.1 [0,0,0,0,0,0|1,0,0]=1 7 B16R2.12 N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O CNP0167976.1 [0,0,0,0,0,0|0,0,0]=0 8 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O CNP0304574.1 [0,0,0,0,0,0|1,0,0]=1 9 B16R2.12 N[C@@H](CN1C=NC2=CC=CC=C12)C(=O)O CNP0501381.1 [0,0,0,0,0,0|1,0,1]=2 10 B16R2.12 N[C@@H](C[C@@H]1CNC2=CC=CC=C12)C(=O)O CNP0144603.1 [0,0,0,0,0,0|0,0,2]=2 11 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O CNP0167976.2 [0,0,0,0,0,0|0,0,0]=0 12 B16R2.12 N[C@H](CN1C=NC2=CC=CC=C12)C(=O)O CNP0501381.2 [0,0,0,0,0,0|1,0,1]=2 13 B16R2.12 O=C(O)C(=O)CC1=CNC2=CC=CC=C12 CNP0333328.0 [0,0,0,0,0,0|1,0,1]=2 14 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=CC=CC=C12 CNP0416375.2 [0,0,0,0,0,0|1,0,0]=1 15 B16R2.12 O=C(O)[C@H](O)CC1=CNC2=CC=CC=C12 CNP0416375.1 [0,0,0,0,0,0|1,0,0]=1 16 B15R2.4 CCC(N)CC1=CNC2=CC=CC=C12 CNP0478659.0 [1,0,0,0,0,0|1,0,1]=3 17 B15R2.4 CNC(C)CC1=CNC2=CC=CC=C12 CNP0342310.0 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.4 NC(=NO)CC1=CNC2=CC=CC=C12 CNP0570127.0 [1,0,0,0,0,0|1,0,1]=3 19 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0479288.1 [1,0,0,0,0,0|0,0,0]=1 20 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0480539.0 [1,0,0,0,0,0|0,0,0]=1 21 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0490783.1 [1,0,0,0,0,0|0,0,0]=1 22 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0492225.1 [1,0,0,0,0,0|0,0,0]=1 23 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0494674.0 [1,0,0,0,0,0|0,0,0]=1 24 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0498385.0 [1,0,0,0,0,0|0,0,0]=1 25 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0499352.0 [1,0,0,0,0,0|0,0,0]=1 26 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0528446.1 [1,0,0,0,0,0|0,0,0]=1 27 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0570486.1 [1,0,0,0,0,0|0,0,0]=1 28 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0577070.1 [1,0,0,0,0,0|0,0,0]=1 29 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0577456.0 [1,0,0,0,0,0|0,0,0]=1 30 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0590688.0 [1,0,0,0,0,0|0,0,0]=1 31 B15R2.4 NC(C=O)CC1=CNC2=CC=CC=C12 CNP0597554.0 [1,0,0,0,0,0|0,0,0]=1 32 B15R2.4 N[C@H](CO)CC1=CNC2=CC=CC=C12 CNP0556701.1 [1,0,0,0,0,0|0,0,1]=2 33 B15R2.4 ON=C(S)CC1=CNC2=CC=CC=C12 CNP0085425.0 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.6 CC(=CCC1=CNC2=CC=CC=C12)C CNP0151197.0 [1,0,0,0,0,0|2,0,1]=4 35 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 CNP0342015.0 [1,0,0,0,0,0|1,0,2]=4 36 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 CNP0368025.0 [1,0,0,0,0,0|1,0,0]=2 37 B15R2.6 CC(O)COC1=CNC2=CC=CC=C12 CNP0433852.0 [1,0,0,0,0,0|2,0,1]=4 38 B15R2.6 CN(C)CCC1=CNC2=CC=CC=C12 CNP0162089.0 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.6 CN(O)CCC1=CNC2=CC=CC=C12 CNP0211351.0 [1,0,0,0,0,0|2,0,0]=3 40 B15R2.6 NC(=O)C#CC1=CNC2=CC=CC=C12 CNP0436728.0 [1,0,0,0,0,0|1,0,2]=4 41 B15R2.6 NC(=O)C=CC1=CNC2=CC=CC=C12 CNP0519263.0 [1,0,0,0,0,0|1,0,2]=4 42 B15R2.6 NC(=O)CCC1=CNC2=CC=CC=C12 CNP0137051.0 [1,0,0,0,0,0|1,0,0]=2 43 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 CNP0326277.0 [1,0,0,0,0,0|0,0,2]=3 44 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 CNP0213541.0 [1,0,0,0,0,0|0,0,0]=1 45 B15R2.6 O=C(O)CCN1C=CC2=CC=CN=C12 CNP0189288.0 [1,0,0,0,0,0|3,0,0]=4 46 B15R2.6 O=C(O)CNC1=NCC2=CC=CC=C12 CNP0239495.0 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.6 [O-][N+](=CCC1=CNC2=CC=CC=C12)O CNP0494581.0 [1,0,0,0,0,0|1,0,2]=4 48 B17R2.7 CNC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 CNP0397966.1 [0,1,0,0,0,0|1,0,0]=2 49 B17R2.7 COC(=O)C(=CC1=CNC2=CC=CC=C12)O CNP0608658.0 [0,1,0,0,0,0|1,0,2]=4 50 B17R2.7 COC(=O)C(O)CC1=CNC2=CC=CC=C12 CNP0610465.0 [0,1,0,0,0,0|1,0,0]=2 51 B17R2.7 COC(=O)[C@@H](C)CC1=CNC2=CC=CC=C12 CNP0227196.1 [0,1,0,0,0,0|1,0,0]=2 52 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12 CNP0405461.1 [0,1,0,0,0,0|0,0,0]=1 53 B17R2.7 OC[C@H](O)[C@@H](O)CC1=CNC2=CC=CC=C12 CNP0312967.1 [0,1,0,0,0,0|1,0,2]=4 54 B17R2.138 CC(N)(CC1=CNC2=CC=CC=C12)C(=O)O CNP0566390.0 [0,1,0,0,0,0|0,0,0]=1 55 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O CNP0244900.1 [0,1,0,0,0,0|0,0,0]=1 56 B17R2.289 COC(CC1=CNC2=CC=CC=C12)C(=O)O CNP0257970.0 [0,1,0,0,0,0|1,0,0]=2 57 B17R2.289 O=C(O)C(CC1=CNC2=CC=CC=C12)NO CNP0462165.0 [0,1,0,0,0,0|0,0,0]=1 58 B17R2.2473 CC(C)(O)C(O)CC1=CNC2=CC=CC=C12 CNP0184450.0 [0,1,0,0,0,0|2,0,1]=4 59 B17R2.2473 O=S(=O)(O)C(O)CC1=CNC2=CC=CC=C12 CNP0344506.0 [0,1,0,0,0,0|2,0,0]=3 60 B17R2.3450 CC1=CC=C2C(=CNC2=C1)CC(N)C(=O)O CNP0492718.0 [0,1,0,0,0,0|0,0,0]=1 61 B17R2.3450 NC(CC1=CNC2=CC(=CC=C12)Cl)C(=O)O CNP0003103.0 [0,1,0,0,0,0|0,0,0]=1 62 B17R2.3450 NC(CC1=CNC2=CC(=CC=C12)O)C(=O)O CNP0230530.0 [0,1,0,0,0,0|0,0,0]=1 63 B17R2.3450 N[C@@H](CC1=CNC2=CC(=CC=C12)O)C(=O)O CNP0230530.1 [0,1,0,0,0,0|0,0,0]=1 64 B17R2.5003 CC1=C(C2=CC=CC=C2N1)C[C@H](N)C(=O)O CNP0343643.1 [0,1,0,0,0,0|0,0,0]=1 65 B17R2.5003 NC(CC1C(=O)NC2=CC=CC=C12)C(=O)O CNP0326185.0 [0,1,0,0,0,0|0,0,1]=2 66 B17R2.5003 N[C@@H](CC1=C(NC2=CC=CC=C12)O)C(=O)O CNP0534405.1 [0,1,0,0,0,0|0,0,0]=1 67 B17R2.25461 CC1=CC=C2NC=C(C2=C1)CC(N)C(=O)O CNP0509486.0 [0,1,0,0,0,0|0,0,0]=1 68 B17R2.25461 NC(CC1=CNC2=CC=C(C=C12)Cl)C(=O)O CNP0171946.0 [0,1,0,0,0,0|0,0,0]=1 69 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)Br)C(=O)O CNP0018059.1 [0,1,0,0,0,0|0,0,0]=1 70 B17R2.25461 N[C@@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O CNP0403850.1 [0,1,0,0,0,0|0,0,0]=1 71 B17R2.25461 N[C@H](CC1=CNC2=CC=C(C=C12)O)C(=O)O CNP0403850.2 [0,1,0,0,0,0|0,0,0]=1 72 B17R2.25461 O=C(O)C(=O)CC1=CNC2=CC=C(C=C12)O CNP0609036.0 [0,1,0,0,0,0|1,0,1]=3 73 B17R2.25461 O=C(O)[C@@H](O)CC1=CNC2=CC=C(C=C12)O CNP0234841.1 [0,1,0,0,0,0|1,0,0]=2 74 B17R2.25461 O=C(O)[C@H](O)CC1=CNC2=CC=C(C=C12)O CNP0234841.2 [0,1,0,0,0,0|1,0,0]=2 75 B17R2.37147 CC1=CC=CC2=C1NC=C2CC(N)C(=O)O CNP0586309.0 [0,1,0,0,0,0|0,0,0]=1 76 B17R2.37147 NC(CC1=CNC2=C(C=CC=C12)Cl)C(=O)O CNP0193131.0 [0,1,0,0,0,0|0,0,0]=1 77 B17R2.37552 CC1=CC=CC2=C1C(=CN2)CC(N)C(=O)O CNP0573099.0 [0,1,0,0,0,0|0,0,0]=1 78 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)Cl)C(=O)O CNP0134348.0 [0,1,0,0,0,0|0,0,0]=1 79 B17R2.37552 NC(CC1=CNC2=CC=CC(=C12)O)C(=O)O CNP0199786.0 [0,1,0,0,0,0|0,0,0]=1 80 B17R2.37552 NC1=CC=CC2=C1C(=CN2)C[C@H](N)C(=O)O CNP0559864.1 [0,1,0,0,0,0|0,0,0]=1 81 B17R2.37552 N[C@@H](CC1=CNC2=CC=CC(=C12)Cl)C(=O)O CNP0134348.1 [0,1,0,0,0,0|0,0,0]=1 82 B17R2.37552 N[C@@H](C[C@H]1C=NC2=CC=CC(=C12)Cl)C(=O)O CNP0141271.1 [0,1,0,0,0,0|0,0,2]=3 83 B17R2.45515 CC(C1=CNC2=CC=CC=C12)C(N)C(=O)O CNP0326280.0 [0,1,0,0,0,0|0,0,0]=1 84 B17R2.45515 C[C@@H](C(=O)C(=O)O)C1=CNC2=CC=CC=C12 CNP0082117.1 [0,1,0,0,0,0|1,0,1]=3 85 B17R2.45515 C[C@@H](C1=CNC2=CC=CC=C12)[C@@H](O)C(=O)O CNP0155981.1 [0,1,0,0,0,0|1,0,0]=2 86 B17R2.45515 C[C@@H](C1=CNC2=CC=CC=C12)[C@H](O)C(=O)O CNP0155981.4 [0,1,0,0,0,0|1,0,0]=2 87 B17R2.45515 C[C@H](C1=CNC2=CC=CC=C12)[C@@H](O)C(=O)O CNP0155981.3 [0,1,0,0,0,0|1,0,0]=2 88 B17R2.45515 C[C@H](C1=CNC2=CC=CC=C12)[C@H](O)C(=O)O CNP0155981.2 [0,1,0,0,0,0|1,0,0]=2 89 B17R2.45515 N[C@H](C(=O)O)[C@@H](O)C1=CNC2=CC=CC=C12 CNP0572421.1 [0,1,0,0,0,0|0,0,0]=1 90 B17R2.78536 CN1C=C(C2=CC=CC=C12)C[C@@H](N)C(=O)O CNP0311269.2 [0,1,0,0,0,0|0,0,0]=1 91 B17R2.78536 CN1C=C(C2=CC=CC=C12)C[C@@H](O)C(=O)O CNP0246643.1 [0,1,0,0,0,0|1,0,0]=2 92 B17R2.78536 CN1C=C(C2=CC=CC=C12)C[C@H](N)C(=O)O CNP0311269.1 [0,1,0,0,0,0|0,0,0]=1 93 B15R1.5793 C[C@@H](NC(=O)C1=CC=CC=C1N)C(=O)O CNP0106010.2 [0,0,1,0,0,0|3,0,0]=4 94 B15R1.5793 C[C@H](NC(=O)C1=CC=CC=C1N)C(=O)O CNP0106010.1 [0,0,1,0,0,0|3,0,0]=4 95 B15R1.5793 NC1=CC=CC=C1C(=O)CC(=O)C(=O)O CNP0083599.0 [0,0,1,0,0,0|2,0,1]=4 96 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@@H](N)C(=O)O CNP0410940.1 [0,0,1,0,0,0|1,0,0]=2 97 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O CNP0410940.2 [0,0,1,0,0,0|1,0,0]=2 98 B17R3.477140 O=C(O)[C@H]1CC2=CNC3=C2C(=CC=C3)S1 CNP0449218.1 [0,0,0,1,0,0|1,0,0]=2 99 B15R2.1255 CC(C(=O)O)C1=CNC2=CC=CC=C12 CNP0274236.0 [0,0,0,0,1,0|1,0,0]=2 100 B15R2.1255 C[C@@H](C(=O)O)C1=CNC2=CC=CC=C12 CNP0274236.1 [0,0,0,0,1,0|1,0,0]=2 101 B15R2.1255 NC(=O)C(=O)C1=CNC2=CC=CC=C12 CNP0290266.0 [0,0,0,0,1,0|2,0,1]=4 102 B15R2.1255 O=C(O)C(=O)C1=CNC2=CC=CC=C12 CNP0134447.0 [0,0,0,0,1,0|1,0,1]=3 103 B15R2.1255 O=C(O)C(O)C1=CNC2=CC=CC=C12 CNP0583942.0 [0,0,0,0,1,0|1,0,0]=2 104 B15R2.27973 N[C@@H](CC1=CNC2=C1C=C[Se]2)C(=O)O CNP0542305.1 [0,0,0,0,1,0|1,0,0]=2 105 B15R2.27973 N[C@@H](CC1=CNC2=C1[Se]C=C2)C(=O)O CNP0582406.1 [0,0,0,0,1,0|1,0,0]=2 106 B17R2.16 CC(=O)N(C)CCC1=CNC2=CC=CC=C12 CNP0282747.0 [0,0,0,0,0,1|3,0,0]=4 107 B17R2.39 CC(=O)NC(C)CC1=CNC2=CC=CC=C12 CNP0307763.0 [0,0,0,0,0,1|2,0,0]=3 108 B17R2.39 CC(CC1=CNC2=CC=CC=C12)NC(=O)N CNP0332698.0 [0,0,0,0,0,1|2,0,0]=3 109 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 CNP0389428.1 [0,0,0,0,0,1|0,0,0]=1 110 B17R2.9167 CC(OC1=CC=C2C=CC=CC2=C1)C(=O)O CNP0065361.0 [0,0,0,0,0,1|3,0,0]=4 111 B17R2.9167 N[C@@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O CNP0171359.2 [0,0,0,0,0,1|1,0,0]=2 112 B17R2.9167 N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)O CNP0171359.1 [0,0,0,0,0,1|1,0,0]=2 113 B17R2.520754 NC(=O)[C@@H](N)CC1=CC=CC2=CC=CC=C12 CNP0563134.1 [0,0,0,0,0,1|2,0,0]=3 114 B17R2.520754 N[C@@H](CC1=CC=CC2=CC=CC=C12)C(=O)O CNP0553975.1 [0,0,0,0,0,1|1,0,0]=2 115 B17R2.520754 N[C@@H](CN1CCCC2=CC=CC=C12)C(=O)O CNP0551686.2 [0,0,0,0,0,1|2,0,1]=4 116 B17R2.520754 N[C@H](CN1CCCC2=CC=CC=C12)C(=O)O CNP0551686.1 [0,0,0,0,0,1|2,0,1]=4 117 B14R1.161 NC1=CC=CC=C1CC[C@@H](N)C(=O)O CNP0183073.1 [1,0,1,0,0,0|0,0,1]=3 118 B14R1.415 CN(C[C@@H](N)C(=O)O)C1=CC=CC=C1 CNP0517587.2 [1,0,1,0,0,0|1,0,1]=4 119 B14R1.415 CN(C[C@H](N)C(=O)O)C1=CC=CC=C1 CNP0517587.1 [1,0,1,0,0,0|1,0,1]=4 120 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O CNP0292373.0 [1,0,1,0,0,0|1,0,0]=3 121 B14R1.415 NC(NC(=O)C1=CC=CC=C1)C(=O)O CNP0530335.0 [1,0,1,0,0,0|2,0,0]=4 122 B14R1.160 NC1=CC=CC=C1C(=O)CCC(=O)O CNP0495481.0 [1,0,1,0,0,0|1,0,0]=3 123 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1O CNP0137475.0 [1,0,1,0,0,0|2,0,0]=4 124 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 CNP0611662.0 [2,0,0,0,0,0|1,0,1]=4 125 B14R2.2 C[C@@H](N)CC1=CNC2=CC=CC=C12 CNP0574647.1 [2,0,0,0,0,0|0,0,1]=3 126 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 CNP0131710.0 [2,0,0,0,0,0|0,0,1]=3 127 B14R2.2 N[C@@H](O)CC1=CNC2=CC=CC=C12 CNP0560495.1 [2,0,0,0,0,0|0,0,0]=2 128 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 CNP0316519.0 [2,0,0,0,0,0|1,0,1]=4 129 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 CNP0284198.0 [2,0,0,0,0,0|1,0,1]=4 130 B14R2.2 O=C([O-])CC1=CNC2=CC=CC=C12 CNP0600994.0 [2,0,0,0,0,0|1,0,1]=4 131 B14R2.3 CNCCC1=CNC2=CC=CC=C12 CNP0113759.0 [2,0,0,0,0,0|2,0,0]=4 132 B14R2.3 COCCC1=CNC2=CC=CC=C12 CNP0075718.0 [2,0,0,0,0,0|2,0,0]=4 133 B14R2.3 N#CCCC1=CNC2=CC=CC=C12 CNP0115378.0 [2,0,0,0,0,0|1,0,1]=4 134 B14R2.3 O=NCCC1=CNC2=CC=CC=C12 CNP0235059.0 [2,0,0,0,0,0|1,0,0]=3 135 B14R2.3 ON=CCC1=CNC2=CC=CC=C12 CNP0313453.0 [2,0,0,0,0,0|1,0,1]=4 136 B14R2.3 ONCCC1=CNC2=CC=CC=C12 CNP0268685.0 [2,0,0,0,0,0|1,0,0]=3 137 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O CNP0407862.1 [0,1,1,0,0,0|2,0,0]=4 138 B16R1.4132 N[C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)O CNP0518309.1 [0,1,1,0,0,0|0,0,1]=3 139 B16R1.636 CS[C@@H](CC(=O)C1=CC=CC=C1N)C(=O)O CNP0109332.2 [0,1,1,0,0,0|2,0,0]=4 140 B16R1.636 CS[C@H](CC(=O)C1=CC=CC=C1N)C(=O)O CNP0109332.1 [0,1,1,0,0,0|2,0,0]=4 141 B16R1.11263 NC1=C(C=CC=C1C(=O)C[C@@H](N)C(=O)O)O CNP0152494.2 [0,1,1,0,0,0|1,0,0]=3 142 B16R1.11263 NC1=C(C=CC=C1C(=O)C[C@H](N)C(=O)O)O CNP0152494.1 [0,1,1,0,0,0|1,0,0]=3 143 B16R1.11441 NC1=CC(=CC=C1C(=O)C[C@H](N)C(=O)O)Cl CNP0484715.1 [0,1,1,0,0,0|1,0,0]=3 144 B16R1.11443 NC1=CC=C(C=C1C(=O)CC(N)C(=O)O)O CNP0082980.0 [0,1,1,0,0,0|1,0,0]=3 145 B16R1.40086 CC(N)(CC(=O)C1=CC=CC=C1N)C(=O)O CNP0347020.0 [0,1,1,0,0,0|1,0,0]=3 146 B16R2.2224 OC[C@H](O)[C@H](O)C1=CNC2=CC=CC=C12 CNP0243229.1 [1,1,0,0,0,0|1,0,1]=4 147 B16R2.14 CN(C=O)CCC1=CNC2=CC=CC=C12 CNP0103461.0 [1,1,0,0,0,0|2,0,0]=4 148 B16R2.14 CNC(=O)CCC1=CNC2=CC=CC=C12 CNP0029864.0 [1,1,0,0,0,0|1,0,0]=3 149 B16R2.14 COC(=O)CCC1=CNC2=CC=CC=C12 CNP0120547.0 [1,1,0,0,0,0|0,0,0]=2 150 B16R2.14 CSC(=O)NCC1=CNC2=CC=CC=C12 CNP0127545.0 [1,1,0,0,0,0|1,1,0]=4 151 B16R2.14 C[C@@H](CO)CCC1=CNC2=CC=CC=C12 CNP0129518.1 [1,1,0,0,0,0|1,0,1]=4 152 B16R2.14 C[C@H](CO)CCC1=CNC2=CC=CC=C12 CNP0129518.2 [1,1,0,0,0,0|1,0,1]=4 153 B16R2.14 NNC(=O)CCC1=CNC2=CC=CC=C12 CNP0309576.0 [1,1,0,0,0,0|1,0,0]=3 154 B16R2.520 O=C(O)CC(O)C1=CNC2=CC=CC=C12 CNP0084095.0 [1,1,0,0,0,0|0,0,0]=2 155 B16R2.2947 C[N+](C)(O)CCC1=CNC2=CC=CC=C12 CNP0597210.0 [1,1,0,0,0,0|2,0,0]=4 156 B16R2.2976 O=C(O)C=CC1=CNC2=CC(=CC=C12)Br CNP0176091.0 [1,1,0,0,0,0|0,0,2]=4 157 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CC[N+](=O)[O-] CNP0486620.0 [1,1,0,0,0,0|1,0,1]=4 158 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C12 CNP0593761.0 [1,1,0,0,0,0|2,0,0]=4 159 B16R2.4003 O=C(O)CCN1C(=O)SC2=CC=CC=C12 CNP0597289.0 [1,1,0,0,0,0|2,0,0]=4 160 B16R2.4003 O=C(O)CCN1C(=S)OC2=CC=CC=C12 CNP0531770.0 [1,1,0,0,0,0|2,0,0]=4 161 B16R2.4003 O=C(O)CC[C@@H]1C(=O)NC2=CC=CC=C12 CNP0242564.2 [1,1,0,0,0,0|0,0,1]=3 162 B16R2.4003 O=C(O)CC[C@H]1C(=O)NC2=CC=CC=C12 CNP0242564.1 [1,1,0,0,0,0|0,0,1]=3 163 B16R2.22833 O=C(O)C=CC1=CNC2=C(C=CC=C12)O CNP0318831.0 [1,1,0,0,0,0|0,0,2]=4 164 B16R2.104522 CN1C=C(C2=CC=CC=C12)C=CC(=O)O CNP0577621.0 [1,1,0,0,0,0|0,0,2]=4 165 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=CC=CC=C12 CNP0158266.1 [0,1,0,0,0,1|1,0,0]=3 166 B18R2.6178 NC1=C(C2=CC=CC=C2N1)CCC(N)C(=O)O CNP0432718.0 [0,1,0,0,0,1|0,0,0]=2 167 B18R2.1 CCC(=O)N[C@@H](C)CC1=CNC2=CC=CC=C12 CNP0482355.1 [0,1,0,0,0,1|2,0,0]=4 168 B18R2.1 CCC(=O)N[C@H](C)CC1=CNC2=CC=CC=C12 CNP0482355.2 [0,1,0,0,0,1|2,0,0]=4 169 B18R2.1 C[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CN CNP0577043.2 [0,1,0,0,0,1|2,0,0]=4 170 B18R2.1 C[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CN CNP0577043.1 [0,1,0,0,0,1|2,0,0]=4 171 B18R2.371 CC(=O)N[C@H](CO)CC1=CNC2=CC=CC=C12 CNP0499447.1 [0,1,0,0,0,1|2,0,0]=4 172 B18R2.12 CCOC(=O)C(N)CC1=CNC2=CC=CC=C12 CNP0160314.0 [0,2,0,0,0,0|0,0,0]=2 173 B18R2.12 CCOC(=O)[C@@H](C)CC1=CNC2=CC=CC=C12 CNP0123629.1 [0,2,0,0,0,0|1,0,0]=3 174 B18R2.283 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OC CNP0305075.1 [0,2,0,0,0,0|0,0,0]=2 175 B18R2.283 CN[C@H](CC1=CNC2=CC=CC=C12)C(=O)OC CNP0305075.2 [0,2,0,0,0,0|0,0,0]=2 176 B18R2.195 O=CNC(CC1=CNC2=CC=CC=C12)C(=O)O CNP0086984.0 [0,2,0,0,0,0|0,0,0]=2 177 B18R2.7183 CN(C)C(CC1=CNC2=CC=CC=C12)C(=O)O CNP0333473.0 [0,2,0,0,0,0|0,0,0]=2 178 B18R2.7183 CN(C)[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O CNP0333473.1 [0,2,0,0,0,0|0,0,0]=2 179 B18R2.7183 O=C(O)C(CC1=CNC2=CC=CC=C12)N(O)O CNP0444626.0 [0,2,0,0,0,0|0,0,0]=2 180 B18R2.1589075 CN[C@@H](CC1=CNC2=CC=C(C=C12)Br)C(=O)O CNP0561376.1 [0,2,0,0,0,0|0,0,0]=2 181 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O CNP0002348.1 [0,2,0,0,0,0|0,0,0]=2 182 B18R2.254902 N[C@@H](CC1=CN(C2=CC=CC=C12)C=O)C(=O)O CNP0170443.2 [0,2,0,0,0,0|0,0,0]=2 183 B18R2.254902 N[C@@H](CC1=CN(C2=CC=CC=C12)OO)C(=O)O CNP0555133.1 [0,2,0,0,0,0|0,0,0]=2 184 B18R2.254902 N[C@H](CC1=CN(C2=CC=CC=C12)C=O)C(=O)O CNP0170443.1 [0,2,0,0,0,0|0,0,0]=2 185 B16R2.6271 N[C@@H](CC1=CC2=CC=CC=C2N1)C(=O)O CNP0071841.1 [0,0,1,1,0,0|2,0,0]=4 186 B16R2.3270 NC1=CC=CC=C1C2=CN[C@@H](C2)C(=O)O CNP0132187.1 [0,0,1,1,0,0|0,0,0]=2 187 B18R3.115616 O=C(O)C1CC2C3=CC=CC=C3NC2CN1 CNP0400479.0 [0,1,0,1,0,0|0,0,2]=4 188 B18R3.115616 O=C(O)C1CCC2=C(C1)C3=CC=CC=C3N2 CNP0283545.0 [0,1,0,1,0,0|1,0,0]=3 189 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=CC=CC=C23 CNP0110814.1 [0,1,0,1,0,0|0,0,0]=2 190 B18R3.115616 O=C(O)[C@H]1CC2=C(CN1)NC3=CC=CC=C23 CNP0110814.2 [0,1,0,1,0,0|0,0,0]=2 191 B18R3.115616 O=C(O)[C@H]1CCC2=C(C1)C3=CC=CC=C3N2 CNP0283545.1 [0,1,0,1,0,0|1,0,0]=3 192 B18R3.2571370 C[C@H]1C2=CNC3=C2C(=CC=C3)S[C@H]1C(=O)O CNP0297077.1 [0,1,0,1,0,0|1,0,0]=3 193 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.2 [0,0,1,0,1,0|1,0,1]=4 194 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.1 [0,0,1,0,1,0|1,0,1]=4 195 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O CNP0404901.1 [0,0,1,0,1,0|1,0,1]=4 196 B14R1.6449 N[C@H](CSCC1=CC=CC=C1)C(=O)O CNP0391051.2 [0,0,1,0,1,0|1,0,1]=4 197 B14R2.95 O=CC(=O)C1=CNC2=CC=CC=C12 CNP0083847.0 [1,0,0,0,1,0|1,0,1]=4 198 B14R2.95 O=CC(O)C1=CNC2=CC=CC=C12 CNP0098644.0 [1,0,0,0,1,0|1,0,0]=3 199 B14R2.95 OCC(O)C1=CNC2=CC=CC=C12 CNP0001388.0 [1,0,0,0,1,0|1,0,1]=4 200 B16R2.36 CC(=O)C=CCC1=CNC2=CC=CC=C12 CNP0183411.0 [1,0,0,0,0,1|1,0,1]=4 201 B16R2.36 CC(=O)NCCC1=CNC2=CC=CC=C12 CNP0254513.0 [1,0,0,0,0,1|1,0,0]=3 202 B16R2.36 CC(=O)OCCC1=CNC2=CC=CC=C12 CNP0178753.0 [1,0,0,0,0,1|1,0,0]=3 203 B16R2.36 N=C(S)CCCC1=CNC2=CC=CC=C12 CNP0547105.0 [1,0,0,0,0,1|1,1,0]=4 204 B16R2.36 NC(=O)CCCC1=CNC2=CC=CC=C12 CNP0593141.0 [1,0,0,0,0,1|1,0,0]=3 205 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 CNP0213396.0 [1,0,0,0,0,1|1,0,0]=3 206 B16R2.36 NC(=S)CCCC1=CNC2=CC=CC=C12 CNP0419537.0 [1,0,0,0,0,1|1,1,0]=4 207 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 CNP0239310.0 [1,0,0,0,0,1|1,1,0]=4 208 B16R2.36 O=C(O)CCCC1=C2C=CC=CC2=CO1 CNP0525263.0 [1,0,0,0,0,1|2,0,0]=4 209 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 CNP0196064.0 [1,0,0,0,0,1|0,0,0]=2 210 B16R2.179941 O=C(O)CCC1=CC=CC2=CC=CC=C12 CNP0350940.0 [1,0,0,0,0,1|1,0,0]=3 211 B16R2.179941 O=C(O)COC1=CC=CC2=CC=CC=C12 CNP0597672.0 [1,0,0,0,0,1|2,0,0]=4 212 B18R2.11 O=C(O)CNC(=O)CC1=CNC2=CC=CC=C12 CNP0183728.0 [0,0,0,0,0,2|1,0,1]=4