0 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 C=CCSC(C)C(=O)O 5401AE [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,0,0,0,0,0|1,0,0]=1 4 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,0,0,0,0,0|0,0,2]=2 6 B8R0.8 CSCC[C@H](N)C(N)=O V1142 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 CCCCC(Br)CC 6006AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCCC[C@@H](N)CO V7833 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.3 OCCCC(O)CO 4412AL [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 C=CCNCC(=O)O Y8695 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CC(=O)CCCCCl D718 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CCCCSC(C)=O 3195AL [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCCOCC(=O)O 5344AE [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CNCCCC(=O)O 2115AA [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 COCCCC(=O)O 2917AB [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 N#CCCCC(=O)O W5958 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 NC(=O)CSCCO 6778AD [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 NCCCCC(=O)O 9495AB [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 O=C(O)COCCCl Y5074 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.4 OB(O)CCCCBr X0904 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 CC(=O)N(C)CCO 4889AD [1,0,0,0,0,0|3,0,0]=4 24 B7R0.5 CC(NC=O)C(=O)O 6246AE [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.5 COCC(N)C(=O)O Z1926 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.5 CSC[C@H](N)C(=O)O V1222 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.5 NC(CCS)C(=O)O D600 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 NCCC(N)C(=O)O X3169 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [1,0,0,0,0,0|2,0,0]=3 31 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [1,0,0,0,0,0|2,0,0]=3 32 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O X5351 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.8 CCCCC(N)C(=O)OC V7712 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.13 CCCCC(CC)C(=O)[O-] O278 [0,1,0,0,0,0|0,0,1]=2 36 B9R0.13 CCCCC(CC)C(=O)[O-] O279 [0,1,0,0,0,0|0,0,1]=2 37 B9R0.13 CCCCC(CC)C(=O)[O-] V1132 [0,1,0,0,0,0|0,0,1]=2 38 B9R0.13 CN[C@@H](CCSC)C(=O)O 0563AP [0,1,0,0,0,0|1,0,0]=2 39 B9R0.42 CC(NC(=O)CCl)C(=O)O 0697AD [0,1,0,0,0,0|2,0,1]=4 40 B9R0.42 CC(NC(=O)CN)C(=O)O 7315AF [0,1,0,0,0,0|2,0,1]=4 41 B9R0.42 CCC(C)NC(=O)C(=O)O 9984AE [0,1,0,0,0,0|2,0,1]=4 42 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Y1733 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.42 COC(=O)C[C@@H](N)C(=O)O V1600 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.42 C[C@H](NC(=O)CN)C(=O)O 7020AH [0,1,0,0,0,0|2,0,1]=4 45 B9R0.47 CCCCCC(N)C(=O)O 2079AA [0,1,0,0,0,0|1,0,0]=2 46 B9R0.47 CCCCC[C@@H](N)C(=O)O 6195AB [0,1,0,0,0,0|1,0,0]=2 47 B9R0.47 CCCCOC(=O)C(N)=O 8726AL [0,1,0,0,0,0|2,0,1]=4 48 B9R0.47 CCSCC[C@@H](N)C(=O)O C618 [0,1,0,0,0,0|1,0,0]=2 49 B9R0.47 NCCCCC(N)C(=O)O 8604AJ [0,1,0,0,0,0|1,0,0]=2 50 B9R0.47 NCCCC[C@H](N)C(=O)O 9230AB [0,1,0,0,0,0|1,0,0]=2 51 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O 4414AH [0,1,0,0,0,0|3,0,0]=4 52 B9R0.51 CCCCC(F)(F)C(=O)O 9180AA [0,1,0,0,0,0|1,0,0]=2 53 B9R1.5 CN1CCCNCC1=O W7308 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.5 NC1CCCCNC1=O W5198 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,0,0,1,0,0|2,0,0]=3 56 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,0,0,1,0,0|1,0,2]=4 59 B9R1.6 CC(=O)C1CCNCC1 W9267 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.6 CC(O)C1CCCCC1 3320AA [0,0,0,1,0,0|1,0,1]=3 61 B9R1.6 N=C(N)N1CCCCC1 3434AF [0,0,0,1,0,0|3,0,0]=4 62 B9R1.6 N=C(N)N1CCCCC1 9013AJ [0,0,0,1,0,0|3,0,0]=4 63 B9R1.6 N=C(N)N1CCCCC1 Y6828 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.6 NC(=O)C1CCCCN1 X0387 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.6 NC(=O)C1CCOCC1 W5605 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.6 NC(=O)N1CCNCC1 4107AE [0,0,0,1,0,0|3,0,0]=4 67 B9R1.6 NC(=O)N1CCOCC1 0972AB [0,0,0,1,0,0|3,0,0]=4 68 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,0,0,1,0,0|1,0,2]=4 69 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,1,0,0|1,0,2]=4 70 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,0,0,1,0,0|1,0,2]=4 71 B9R1.6 O=C(O)C1CCCCO1 Y9295 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.6 O=C(O)C1CCCOC1 W8958 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.6 O=C(O)C1CCNCC1 W7261 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.6 O=C(O)C1CCSCC1 W9239 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.6 O=C(O)C1CNCCO1 W5246 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.6 O=C(O)C1COCCN1 Z5972 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.6 O=C(O)C1COCCO1 4768AC [0,0,0,1,0,0|2,0,0]=3 78 B9R1.6 O=C(O)C1CSCCN1 W4390 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.6 O=C(O)N1CCNCC1 E072 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.6 O=C(O)[C@@H]1COCCN1 Z3946 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.6 O=C(O)[C@H]1CC=CCC1 O030 [0,0,0,1,0,0|0,0,2]=3 85 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [0,0,0,1,0,0|1,0,0]=2 86 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.6 O=C(O)[C@H]1COCCN1 X8815 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.23 CN1CC(CO)CC1=O 8923AB [0,0,0,1,0,0|3,0,0]=4 89 B9R1.35 CC(=O)N1CCC(O)C1 1505AB [0,0,0,1,0,0|3,0,0]=4 90 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4794AJ [0,0,0,1,0,0|3,0,0]=4 92 B9R1.35 CC(=O)N1CC[C@H](O)C1 V9420 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.35 NC1CCC(C(=O)O)C1 9225AF [0,0,0,1,0,0|1,0,0]=2 94 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Z7280 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 8248AA [0,0,0,1,0,0|2,0,0]=3 96 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 X5640 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Y6712 [0,0,0,1,0,0|1,0,2]=4 98 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 Y6731 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 S949 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 S923 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 Z5573 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 W9014 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.35 O=C1CC(C(=O)O)CN1 1273AC [0,0,0,1,0,0|2,0,1]=4 104 B9R1.35 O=C1CCC(C(=O)O)C1 X3245 [0,0,0,1,0,0|1,0,1]=3 105 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Z1691 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.112 NC(CC1CC1)C(=O)O 7919AA [0,0,0,1,0,0|1,0,0]=2 108 B9R1.163 CC1(C(=O)O)CCCO1 9217AB [0,0,0,1,0,0|1,0,0]=2 109 B9R1.163 C[C@@]1(C(=O)O)CCCN1 W6243 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.163 C[C@@]1(C(=O)O)CCCN1 X5473 [0,0,0,1,0,0|1,0,0]=2 111 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [0,0,0,0,0,1|2,0,0]=3 112 B6R0.1 C=CC(O)CCC I123 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.1 CC(CO)CCN 2620AL [2,0,0,0,0,0|1,0,1]=4 114 B6R0.1 CCCC(C)CCl 4812AL [2,0,0,0,0,0|1,0,1]=4 115 B6R0.1 C[C@@H](CO)CCN 4158AL [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 CC(Br)CCCBr 9465AB [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CC(O)CCCO 1536AL [2,0,0,0,0,0|1,0,0]=3 118 B6R0.4 CCCCC(=N)N 1867AA [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 CCCCC(=N)N 9567AA [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 CCCNC(N)=O P685 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 CCCOC(N)=O 9471AB [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 CCCSC(C)=O R568 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.4 CCCSC(C)C 8111AL [2,0,0,0,0,0|1,0,1]=4 124 B6R0.4 CCNCC(=O)O X5133 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.4 CSCCC(C)=O L760 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.4 N#CCCC(=O)O W3483 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.4 NC(=O)CCCCl Y1653 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 NCCCC(N)=O 5556AA [2,0,0,0,0,0|2,0,0]=4 129 B6R0.6 C=CCCCCCl X6224 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.6 CCCNCCO 8316AA [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 CNCCCCO 5794AB [2,0,0,0,0,0|1,0,1]=4 132 B6R0.3 CC(CN)C(=O)O B714 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.3 CCC(Br)C(=O)Cl 5533AL [2,0,0,0,0,0|2,0,0]=4 134 B6R0.3 CCC(Cl)C(=O)O 7236AF [2,0,0,0,0,0|1,0,0]=3 135 B6R0.3 CCC(O)C(=O)O Z2570 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 CC[C@H](N)C(N)=O V3235 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.3 CNC(C)C(=O)O 0549AP [2,0,0,0,0,0|1,0,0]=3 138 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [2,0,0,0,0,0|1,0,0]=3 139 B6R0.3 C[C@H](CN)C(=O)O 5992AA [2,0,0,0,0,0|1,0,0]=3 140 B6R0.3 C[C@H](CO)C(=O)O 9933AA [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 NC(CCl)C(=O)O 1396AE [2,0,0,0,0,0|2,0,0]=4 142 B6R0.3 NCC(F)C(=O)O 5631AL [2,0,0,0,0,0|2,0,0]=4 143 B6R0.3 NCC(N)C(=O)O 3293AL [2,0,0,0,0,0|2,0,0]=4 144 B6R0.3 NCC(N)C(=O)O V0517 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.3 NCC(O)C(=O)O X2972 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [2,0,0,0,0,0|2,0,0]=4 148 B8R0.6 OCCCCC(O)CO X6223 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.9 CN(C)CCN(C)C=O 3626AL [1,1,0,0,0,0|2,0,0]=4 150 B8R0.11 CCCCC(CC)CN 5628AL [1,1,0,0,0,0|1,0,1]=4 151 B8R0.11 CCC\C=C(\C=O)CC 5610AL [1,1,0,0,0,0|0,0,2]=4 152 B8R0.19 CCC(C)CC(O)CC 7996AF [1,1,0,0,0,0|1,0,1]=4 153 B8R0.25 CC(C)(CO)CCCN 3910AD [1,1,0,0,0,0|1,0,1]=4 154 B8R0.7 CC(=O)NCCCCN 8335AL [1,1,0,0,0,0|2,0,0]=4 155 B8R0.7 CC(=O)OCCCCBr 7492AF [1,1,0,0,0,0|2,0,0]=4 156 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,1,0,0,0,0|0,0,1]=3 157 B8R0.7 CCCCCCC(C)O Z6063 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,1,0,0,0,0|1,0,1]=4 159 B8R0.7 NC(=O)CCCCCBr 8542AB [1,1,0,0,0,0|1,0,0]=3 160 B8R0.7 NCCCCCC(=O)O 5982AB [1,1,0,0,0,0|0,0,0]=2 161 B8R0.7 NCCCNCC(=O)O 8332AL [1,1,0,0,0,0|1,0,0]=3 162 B8R0.7 O=C(Cl)CCCCCBr 5957AH [1,1,0,0,0,0|1,0,0]=3 163 B8R0.28 CC(=O)CCCC(C)C 5697AC [1,1,0,0,0,0|1,0,0]=3 164 B8R0.28 CC(C)CCCC(C)O 6866AL [1,1,0,0,0,0|1,0,1]=4 165 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E108 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [1,1,0,0,0,0|1,0,0]=3 167 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O V8168 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O X5876 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 5707AB [1,1,0,0,0,0|2,0,0]=4 170 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [1,1,0,0,0,0|1,0,0]=3 171 B8R0.15 CCC[C@H](NC)C(=O)O 6616AD [1,1,0,0,0,0|0,0,0]=2 172 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.23 CC(C)CC(N)C(N)=O 4981AH [1,1,0,0,0,0|2,0,0]=4 174 B8R0.23 CC(C)CC(O)C(=O)O C466 [1,1,0,0,0,0|1,0,0]=3 175 B8R0.23 CC(C)C[C@@H](N)C(N)=O V7838 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [1,1,0,0,0,0|1,0,0]=3 178 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.44 COC(=O)CC(C)CC(=O)O Z4530 [0,1,0,0,0,1|1,0,1]=4 180 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO 7093AL [0,2,0,0,0,0|2,0,0]=4 181 B10R0.57 COC(=O)[C@@H](C)CSC(C)=O 4139AL [0,2,0,0,0,0|1,0,1]=4 182 B10R0.82 COC(=O)CCC(N)C(=O)O 7109AH [0,2,0,0,0,0|1,0,1]=4 183 B10R0.84 CNC(CCC(=O)O)C(=O)O 9803AJ [0,2,0,0,0,0|1,0,1]=4 184 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O 9795AA [0,2,0,0,0,0|2,0,0]=4 185 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O Y0540 [0,2,0,0,0,0|2,0,0]=4 186 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O 7811AL [0,2,0,0,0,0|2,0,0]=4 187 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O 1359AC [0,2,0,0,0,0|2,0,0]=4 188 B10R0.93 CC(N)C(=O)N[C@@H](C)C(=O)O 7798AL [0,2,0,0,0,0|1,0,1]=4 189 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O P988 [0,2,0,0,0,0|1,0,1]=4 190 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O 7092AH [0,2,0,0,0,0|1,0,1]=4 191 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|1,0,1]=4 192 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [0,2,0,0,0,0|2,0,0]=4 193 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.88 CCCC[C@H](NC=O)C(=O)O 7010AH [0,2,0,0,0,0|0,0,1]=3 196 B10R0.88 CSCCC(NC=O)C(=O)O 3743AL [0,2,0,0,0,0|1,0,1]=4 197 B10R0.42 C=CCCC[C@@](C)(N)C(=O)O 0591AP [0,2,0,0,0,0|0,0,1]=3 198 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [0,2,0,0,0,0|1,0,0]=3 199 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [0,2,0,0,0,0|1,0,0]=3 200 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.1 CN1CCC(CO)C1 6863AB [1,0,0,1,0,0|1,0,1]=4 202 B8R1.2 CCC1CCCCC1 8567AA [1,0,0,1,0,0|1,0,1]=4 203 B8R1.2 ICC1CCCCC1 4784AJ [1,0,0,1,0,0|1,0,1]=4 204 B8R1.2 NNC1CCCCC1 3658AF [1,0,0,1,0,0|2,0,0]=4 205 B8R1.2 O=CC1CCCOC1 2092AC [1,0,0,1,0,0|1,0,0]=3 206 B8R1.2 O=CC1CCOCC1 X4660 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.2 OCC1CCNCC1 5626AH [1,0,0,1,0,0|1,0,1]=4 208 B8R1.2 OCC1CCSCC1 Y6767 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.2 ONC1CCCCC1 1210AB [1,0,0,1,0,0|1,0,0]=3 210 B8R1.2 [C-]#[N+]C1CCCCC1 M219 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.3 CC1COC(C)CN1 Z6902 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.5 CC1CCCNC1=O Y8918 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.5 CC1CNCCC1=O W6393 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.5 CC1COCCC1O 2365AJ [1,0,0,1,0,0|1,0,1]=4 215 B8R1.5 CC1SCCNC1=O 8229AE [1,0,0,1,0,0|2,0,0]=4 216 B8R1.5 CN1CCCNC1=O 7411AC [1,0,0,1,0,0|2,0,0]=4 217 B8R1.5 CN1CCNCC1=O 1842AA [1,0,0,1,0,0|2,0,0]=4 218 B8R1.5 CN1CCNCC1=O 6558AD [1,0,0,1,0,0|2,0,0]=4 219 B8R1.5 CN1CCNCC1=O X7943 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [1,0,0,1,0,0|2,0,0]=4 221 B8R1.5 C[C@H]1NCCNC1=O 5574AC [1,0,0,1,0,0|2,0,0]=4 222 B8R1.5 N[C@@H]1CCCC[C@@H]1O W4237 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [1,0,0,1,0,0|2,0,0]=4 224 B8R1.5 N[C@H]1CCCC[C@@H]1O B566 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [1,0,0,1,0,0|1,0,1]=4 226 B8R1.5 N[C@H]1CCCC[C@H]1O X3115 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.5 N[C@H]1CCCNC1=O 5871AB [1,0,0,1,0,0|2,0,0]=4 228 B8R1.5 O=C1NCCCC1O W4139 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.5 OC1CCCCC1Cl 7832AA [1,0,0,1,0,0|1,0,1]=4 230 B8R1.50 CC1CCC(=O)C1=O 6795AA [1,0,0,1,0,0|1,0,1]=4 231 B8R1.50 CN1CCC(N)C1=O 0714AD [1,0,0,1,0,0|2,0,0]=4 232 B8R1.4 CC1CC(=O)CCN1 6568AA [1,0,0,1,0,0|2,0,0]=4 233 B8R1.4 CC1CC(=O)CCO1 3309AA [1,0,0,1,0,0|2,0,0]=4 234 B8R1.7 N=C(N)C1CCCC1 0061AF [1,0,0,1,0,0|2,0,0]=4 235 B8R1.7 NC(=O)C1CCCO1 5362AC [1,0,0,1,0,0|2,0,0]=4 236 B8R1.7 NC(=O)C1CCNC1 9876AB [1,0,0,1,0,0|2,0,0]=4 237 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [1,0,0,1,0,0|2,0,0]=4 238 B8R1.7 O=C(O)C1CCNC1 W9737 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.7 O=C(O)C1CSSC1 X3729 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.7 O=C(O)C1NCCS1 W7647 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [1,0,0,1,0,0|1,0,0]=3 242 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [1,0,0,1,0,0|1,0,0]=3 243 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [1,0,0,1,0,0|2,0,0]=4 245 B8R1.34 O=C(O)CC1CCC1 W7672 [1,0,0,1,0,0|0,0,0]=2 246 B8R1.34 O=C(O)CC1COC1 3631AD [1,0,0,1,0,0|1,0,0]=3 247 B8R1.35 O=C(O)CCC1CC1 8214AB [1,0,0,1,0,0|0,0,0]=2 248 B8R1.18 C=C1CC(C)OC1=O 7069AL [1,0,0,1,0,0|0,0,2]=4 249 B8R1.23 C=C1CC(C(=O)O)C1 Y3237 [1,0,0,1,0,0|0,0,2]=4 250 B8R1.23 CC1CC(C(=O)O)C1 W7069 [1,0,0,1,0,0|0,0,0]=2 251 B8R1.23 O=C(O)C1CC(O)C1 W4156 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.54 NC(C(=O)O)C1CC1 Z8573 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.78 CC1(C(=O)O)CCC1 Z4598 [1,0,0,1,0,0|0,0,0]=2 254 B8R1.78 CC1(C(=O)O)COC1 X6392 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.78 NC1(C(=O)O)CCC1 X3059 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.78 NC1(C(=O)O)CCC1 X3158 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.78 NC1(C(=O)O)COC1 V2874 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.78 O=C(O)C1(O)CCC1 2903AE [1,0,0,1,0,0|1,0,0]=3 259 B10R1.18 CC(=O)NC1CCCNC1 8592AB [0,0,0,1,0,1|2,0,0]=4 260 B10R1.18 O=C(O)CC1CCCNC1 V7579 [0,0,0,1,0,1|1,0,0]=3 261 B10R1.18 O=C(O)CC1CCCNC1 W8079 [0,0,0,1,0,1|1,0,0]=3 262 B10R1.18 O=C(O)CC1CCNCC1 N549 [0,0,0,1,0,1|1,0,0]=3 263 B10R1.18 O=C(O)CC1CNCCN1 7202AA [0,0,0,1,0,1|2,0,0]=4 264 B10R1.18 O=C(O)CC1CNCCO1 1270AJ [0,0,0,1,0,1|2,0,0]=4 265 B10R1.18 O=C(O)CN1CCCCC1 0202AE [0,0,0,1,0,1|1,0,0]=3 266 B10R1.18 O=C(O)CN1CCOCC1 W9244 [0,0,0,1,0,1|2,0,0]=4 267 B10R1.18 OB(O)CC1CCCCC1 X0676 [0,0,0,1,0,1|1,0,1]=4 268 B10R1.54 O=C(O)CN1CCC(O)C1 Z4509 [0,0,0,1,0,1|2,0,0]=4 269 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 3939AB [0,0,0,1,0,1|2,0,0]=4 270 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [0,0,0,1,0,1|1,0,0]=3 271 B10R1.23 CC(C(=O)O)N1CCCC1 2951AD [0,1,0,1,0,0|0,0,0]=2 272 B10R1.275 CN1CCCC[C@H](N)C1=O 6487AC [0,1,0,1,0,0|2,0,0]=4 273 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.13 CC(=O)N1CCC(N)CC1 0887AB [0,1,0,1,0,0|2,0,0]=4 275 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [0,1,0,1,0,0|0,0,1]=3 276 B10R1.13 NC1CCC(C(=O)O)CC1 0769AF [0,1,0,1,0,0|0,0,0]=2 277 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X0367 [0,1,0,1,0,0|0,0,0]=2 278 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X2034 [0,1,0,1,0,0|0,0,0]=2 279 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 3218AL [0,1,0,1,0,0|0,0,0]=2 280 B10R1.13 O=C1CCC(C(=O)O)CN1 1361AB [0,1,0,1,0,0|1,0,1]=4 281 B10R1.58 CN1CC(C(=O)O)CC1=O V5890 [0,1,0,1,0,0|1,0,1]=4 282 B10R1.14 COC(=O)C1CCC(=O)C1 W5454 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.14 COC(=O)C1CCN(C)C1 1024AE [0,1,0,1,0,0|1,0,0]=3 284 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 V6761 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.15 CCC(=O)C1CCCCC1 2177AA [0,1,0,1,0,0|1,0,0]=3 286 B10R1.15 CNC(=O)C1CCCCN1 2898AD [0,1,0,1,0,0|2,0,0]=4 287 B10R1.15 CNC(=O)C1CCNCC1 6412AD [0,1,0,1,0,0|2,0,0]=4 288 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,1,0,1,0,0|0,0,2]=4 289 B10R1.15 COC(=O)C1CCCCN1 P494 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.15 COC(=O)C1CCCOC1 W4041 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.15 COC(=O)C1COCCN1 3895AA [0,1,0,1,0,0|2,0,0]=4 292 B10R1.15 COC(=O)N1CCCCC1 3586AL [0,1,0,1,0,0|1,0,0]=3 293 B10R1.15 COC(=O)N1CCNCC1 W8961 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.15 COC(=O)[C@@H]1CCCNC1 S981 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.15 COC(=O)[C@H]1CCCCN1 W6258 [0,1,0,1,0,0|1,0,0]=3 296 B10R1.15 COC(=O)[C@H]1CCCNC1 W3583 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.15 COC(=O)[C@H]1CCCNC1 W5068 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.15 COC(=O)[C@H]1CNCCN1 W7554 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.15 COC(=O)[C@H]1COCCN1 3118AA [0,1,0,1,0,0|2,0,0]=4 300 B10R1.15 NCC(=O)N1CCCCC1 5310AE [0,1,0,1,0,0|2,0,0]=4 301 B10R1.15 NOC(=O)C1CCOCC1 Z4416 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.15 N[C@H](CO)C1CCCCC1 2997AC [0,1,0,1,0,0|1,0,1]=4 303 B10R1.15 O=C(CBr)C1CCCCC1 W6993 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.176 CCN1CCC(=O)C(C)C1 4551AB [0,1,0,1,0,0|2,0,0]=4 305 B10R1.411 COC(=O)C1(C)CCCO1 6969AJ [0,1,0,1,0,0|1,0,0]=3 306 B10R1.411 COC(=O)C1(N)CCCC1 X3163 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.194 CN1CCC(C(=O)O)C1=O 3279AB [0,1,0,1,0,0|1,0,1]=4 308 B10R1.348 O=C(O)C1CCCCCN1 7360AB [0,1,0,1,0,0|0,0,0]=2 309 B10R1.63 CC1(C)CCC(=O)OC1=O 5135AL [0,1,0,1,0,0|1,0,1]=4 310 B10R1.113 CC(=O)N1CCCC(C)C1 1394AQ [0,1,0,1,0,0|2,0,0]=4 311 B10R1.113 CC1CCCC(C(=O)O)N1 W9881 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.113 CN1CCC=C(C(=O)O)C1 6492AE [0,1,0,1,0,0|0,0,2]=4 313 B10R1.113 CN1CCOC(C(=O)O)C1 0383AF [0,1,0,1,0,0|1,0,0]=3 314 B10R1.113 NC(=O)C1CCCC(N)C1 6418AC [0,1,0,1,0,0|1,0,0]=3 315 B10R1.113 NC1CCCC(C(=O)O)C1 5989AL [0,1,0,1,0,0|0,0,0]=2 316 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,1,0,0|0,0,0]=2 317 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,1,0,0|0,0,0]=2 318 B10R1.113 O=C(O)C1CCCC(O)C1 6064AL [0,1,0,1,0,0|0,0,0]=2 319 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,1,0,1,0,0|1,0,0]=3 320 B10R1.113 O=C1CCCC(C(=O)O)C1 8202AA [0,1,0,1,0,0|0,0,1]=3 321 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 W5621 [0,1,0,1,0,0|1,0,1]=4 322 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 1176AC [0,1,0,1,0,0|1,0,1]=4 323 B10R1.204 N[C@H](CC1CCC1)C(=O)O 9009AA [0,1,0,1,0,0|1,0,0]=3 324 B10R1.363 CC1(C(=O)O)CCNCC1 6211AJ [0,1,0,1,0,0|0,0,0]=2 325 B10R1.363 CC1(C(=O)O)CCNCC1 8253AA [0,1,0,1,0,0|0,0,0]=2 326 B10R1.363 CC1(C(=O)O)CCOCC1 1540AB [0,1,0,1,0,0|0,0,0]=2 327 B10R1.363 NC1(C(=O)O)CCOCC1 5095AB [0,1,0,1,0,0|1,0,0]=3 328 B10R1.363 O=C(O)C1(O)CCCCC1 2168AA [0,1,0,1,0,0|0,0,0]=2 329 B10R2.61 O=C1OC2C=CCC1C2 6428AB [0,0,0,2,0,0|0,0,2]=4 330 B10R2.62 C12CCC(CC1)C(=O)O2 5773AL [0,0,0,2,0,0|0,0,0]=2 331 B10R2.62 O=C1NC2CCC1CC2 3767AB [0,0,0,2,0,0|1,0,0]=3 332 B10R2.351 O=C(O)C1C2COCC21 W7915 [0,0,0,2,0,0|1,0,0]=3