0 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=CCOC(=O)C(=O)Cl 1182AQ [0,0,0,0,0,0|3,0,1]=4 2 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,0,0,0,0,0|1,0,2]=3 4 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 CCCOC(=O)C(C)O 8130AL [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,0,0,0,0,0|2,0,1]=3 7 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,0,0,0,0,0|1,0,1]=2 8 B7R0.3 CCCCC(=O)CC 7786AF [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCCCC(=O)NN X5269 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 COC(=O)CCCN 3563AL [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 NNC(=O)CCCO 2288AE [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|0,0,3]=4 18 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|0,0,1]=2 19 B7R0.4 O=C(O)COCCCl Y5074 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 COCC(N)C(=O)O Z1926 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CSC[C@H](N)C(=O)O V1222 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 NC(CCS)C(=O)O D600 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 NCCC(N)C(=O)O X3169 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [1,0,0,0,0,0|1,0,1]=3 26 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,0,0,0,0,0|1,0,1]=3 27 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] 7067AL [0,1,0,0,0,0|1,0,2]=4 28 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] N727 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.8 CCCCC(=O)N(C)OC 5475AA [0,1,0,0,0,0|3,0,0]=4 30 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,1,0,0,0,0|2,0,0]=3 32 B9R0.47 C=C(C)C(=O)NCCCC 2777AB [0,1,0,0,0,0|3,0,0]=4 33 B9R0.47 C=C(C)C(=O)NCCCN W8119 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,1,0,0,0,0|2,0,1]=4 35 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,1,0,0,0,0|2,0,1]=4 36 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [0,1,0,0,0,0|2,0,0]=3 37 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [0,1,0,0,0,0|1,0,1]=3 39 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [0,1,0,0,0,0|1,0,1]=3 40 B9R0.51 CCCCC(F)(F)C(=O)O 9180AA [0,1,0,0,0,0|2,0,1]=4 41 B9R1.5 CN1CCCNCC1=O W7308 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,0,0,1,0,0|3,0,0]=4 43 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,0,0,1,0,0|1,0,2]=4 44 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,1,0,0|1,0,1]=3 45 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,0,0,1,0,0|2,0,0]=3 46 B9R1.6 O=C(O)C1CCCCO1 Y9295 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.6 O=C(O)C1CCCOC1 W8958 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.6 O=C(O)C1CNCCO1 W5246 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [0,0,0,1,0,0|1,0,1]=3 51 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [0,0,0,1,0,0|1,0,1]=3 52 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,0,0,1,0,0|1,0,1]=3 55 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,0,0,1,0,0|1,0,1]=3 56 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 8248AA [0,0,0,1,0,0|2,0,1]=4 57 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,0,0,1,0,0|1,0,1]=3 58 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,0,0,1,0,0|2,0,1]=4 59 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [0,0,0,1,0,0|2,0,1]=4 60 B9R1.163 C[C@@]1(C(=O)O)CCCN1 W6243 [0,0,0,1,0,0|1,0,1]=3 61 B9R1.163 C[C@@]1(C(=O)O)CCCN1 X5473 [0,0,0,1,0,0|1,0,1]=3 62 B6R0.1 CCC\C(N)=N\O 8990AD [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 CCOC(=O)NO 6247AE [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CNC(=O)CCN 4757AE [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCNC(N)=O P685 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.4 N#CCCC(=O)O W3483 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|1,0,0]=3 72 B6R0.6 C\C=C/CCCO 7448AL [2,0,0,0,0,0|2,0,0]=4 73 B6R0.3 CC(=O)C(=O)CBr W6757 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.3 CC(CN)C(=O)O B714 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.3 CCC(=O)C(C)=O 7386AF [2,0,0,0,0,0|1,0,0]=3 76 B6R0.3 CCC(Cl)C(=O)O 7236AF [2,0,0,0,0,0|1,0,1]=4 77 B6R0.3 CCC(O)C(=O)O Z2570 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [2,0,0,0,0,0|1,0,1]=4 79 B6R0.3 C[C@H](CN)C(=O)O 5992AA [2,0,0,0,0,0|1,0,1]=4 80 B6R0.3 NCC(F)C(=O)O 5631AL [2,0,0,0,0,0|1,0,1]=4 81 B6R0.3 NCC(N)C(=O)O 3293AL [2,0,0,0,0,0|1,0,1]=4 82 B6R0.3 NCC(N)C(=O)O V0517 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 NCC(O)C(=O)O X2972 [2,0,0,0,0,0|0,0,2]=4 84 B6R0.3 O=C(O)C(=O)CBr 7040AD [2,0,0,0,0,0|1,0,0]=3 85 B8R0.6 COC(=O)CCCCN 3063AB [1,1,0,0,0,0|2,0,0]=4 86 B8R0.7 CC(=O)NCCCCN 8335AL [1,1,0,0,0,0|1,0,1]=4 87 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,1,0,0,0,0|2,0,0]=4 88 B8R0.7 NCCCCCC(=O)O 5982AB [1,1,0,0,0,0|0,0,1]=3 89 B8R0.7 NCCCNCC(=O)O 8332AL [1,1,0,0,0,0|0,0,1]=3 90 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E108 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [1,1,0,0,0,0|1,0,1]=4 92 B8R0.15 CCC[C@H](NC)C(=O)O 6616AD [1,1,0,0,0,0|1,0,1]=4 93 B8R0.23 CC(C)CC(=O)C(=O)[O-] 5986AC [1,1,0,0,0,0|0,0,1]=3 94 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.23 CC(C)CC(O)C(=O)O C466 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [1,1,0,0,0,0|0,0,2]=4 97 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.23 CC(C)NC(=O)C(=O)O 9278AD [1,1,0,0,0,0|1,0,0]=3 99 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|1,0,0]=3 100 B10R0.88 CCCC[C@H](NC=O)C(=O)O 7010AH [0,2,0,0,0,0|1,0,1]=4 101 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,2,0,0,0,0|1,0,1]=4 102 B8R1.5 CC1CCCNC1=O Y8918 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.5 CN1CCCNC1=O 7411AC [1,0,0,1,0,0|2,0,0]=4 104 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [1,0,0,1,0,0|1,0,1]=4 105 B8R1.5 N[C@H]1CCCNC1=O 5871AB [1,0,0,1,0,0|1,0,1]=4 106 B8R1.5 O=C1NCCCC1O W4139 [1,0,0,1,0,0|0,0,2]=4 107 B8R1.22 O=C1C=CCCCC1 X8995 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.38 COC(=O)C1CCN1 3825AJ [1,0,0,1,0,0|2,0,0]=4 109 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|1,0,0]=3 110 B8R1.50 CN1CCC(N)C1=O 0714AD [1,0,0,1,0,0|2,0,0]=4 111 B8R1.7 O=C(O)C1NCCS1 W7647 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [1,0,0,1,0,0|1,0,1]=4 113 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|1,0,1]=4 115 B8R1.18 C=C1CC(C)OC1=O 7069AL [1,0,0,1,0,0|1,0,0]=3 116 B8R1.23 CC1CC(C(=O)O)C1 W7069 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.54 NC(C(=O)O)C1CC1 Z8573 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.78 CC1(C(=O)O)CCC1 Z4598 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.78 NC1(C(=O)O)CCC1 X3059 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.78 NC1(C(=O)O)CCC1 X3158 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.78 O=C(O)C1(O)CCC1 2903AE [1,0,0,1,0,0|0,0,2]=4 122 B10R1.18 O=C(O)CC1CCCNC1 V7579 [0,0,0,1,0,1|1,0,1]=4 123 B10R1.18 O=C(O)CC1CCCNC1 W8079 [0,0,0,1,0,1|1,0,1]=4 124 B10R1.61 CC(=O)N1CCCCC1=O W5499 [0,0,0,1,0,1|2,0,0]=4 125 B10R1.13 NC1CCC(C(=O)O)CC1 0769AF [0,1,0,1,0,0|1,0,1]=4 126 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X0367 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X2034 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,1,0,0|2,0,0]=4 129 B10R1.15 COC(=O)[C@@H]1CCCNC1 S981 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.15 COC(=O)[C@H]1CCCNC1 W3583 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.15 COC(=O)[C@H]1CCCNC1 W5068 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.113 CN1CCC=C(C(=O)O)C1 6492AE [0,1,0,1,0,0|1,0,1]=4 133 B10R1.113 NC1CCCC(C(=O)O)C1 5989AL [0,1,0,1,0,0|1,0,1]=4 134 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,1,0,0|1,0,1]=4 135 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,1,0,0|1,0,1]=4 136 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,1,0,1,0,0|1,0,1]=4