0 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.178 CC(C)C1NCCC1C(=O)O Z2065788419 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Z2310169937 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Z2307018221 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.178 NC(=O)C1CNCC1C(=O)N Z2511841656 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.178 O=C(O)C1=C(CCC1)C(=O)O Z1255487192 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.178 O=C(O)C1COCC1C(=O)O Z1262521635 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Z2307407859 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.39 CC(=O)N1CCCC1C#N Z1227728672 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.39 NC(=O)N1CCC[C@H]1CO Z1203582422 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.39 O=CC1=CCCC1C(=O)O Z1205494639 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.263 CS(=O)(=O)N1CCCC1C(=O)N Z193091370 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.263 NS(=O)(=O)N1CCCC1C(=O)O Z295879356 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.263 O=C(O)[C@@H]1CCCN1S(=O)(=O)F Z5021351131 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.368 C#CC(=O)N1CCC[C@@H]1C(=O)O Z1078490662 [0,1,0,0,0,0|0,0,1]=2 29 B12R1.368 C#CC(=O)N1CCC[C@H]1C(=O)O Z756430346 [0,1,0,0,0,0|0,0,1]=2 30 B12R1.368 C=CC(=O)N1CCCC1C(=O)O Z316090866 [0,1,0,0,0,0|0,0,1]=2 31 B12R1.368 CCC(=O)N1CSCC1C(=O)O Z316101256 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.368 CNC(=O)[C@H]1CCCN1C(=O)C Z1216855779 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.368 COC(=O)C1CCCC1C(=O)O Z1255428485 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.368 COC(=O)C1CCCN1C(=O)C Z66459743 [0,1,0,0,0,0|0,0,0]=1 35 B12R1.368 COC(=O)N1CCCC1C(=O)O Z319610280 [0,1,0,0,0,0|0,0,0]=1 36 B12R1.368 O=C(O)C1CCCN1C(=O)CCl Z336080984 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.850 CC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O Z1250093582 [0,1,0,0,0,0|0,0,0]=1 38 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O Z1160837276 [0,1,0,0,0,0|0,0,0]=1 39 B12R1.850 CC(=O)N1C[C@H](C[C@@H]1C(=O)O)O Z1262515248 [0,1,0,0,0,0|0,0,0]=1 40 B12R1.850 CC1CC(C(C1)C(=O)O)C(=O)O Z1723429135 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O Z56876515 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.850 O=C1CC(C(C1)C(=O)O)C(=O)O Z1255403572 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.23 C=C(C)C(CC(=O)O)OCC Z1375776988 [0,0,1,0,0,0|3,0,0]=4 44 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,0,1,0,0,0|0,0,2]=3 45 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,0,1,0,0,0|0,0,0]=1 46 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,0,1,0,0,0|1,0,0]=2 47 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,0,1,0,0,0|1,0,1]=3 48 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,0,1,0,0,0|1,0,0]=2 49 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,0,1,0,0,0|1,0,0]=2 50 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,0,1,0,0,0|2,0,1]=4 51 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,0,1,0,0,0|1,0,0]=2 52 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,0,1,0,0,0|2,0,0]=3 53 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,0,1,0,0,0|3,0,0]=4 54 B12R2.221 O=C1NCC(=O)N2C1CCC2 Z1154665601 [0,0,0,1,0,0|1,0,0]=2 55 B12R2.221 O=C1NCC(=O)N2[C@H]1CCC2 Z1198149427 [0,0,0,1,0,0|1,0,0]=2 56 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 Z2275489981 [0,0,0,1,0,0|1,0,0]=2 57 B12R2.1356 O=C(O)C1CCCN1C2CC2 Z1895741358 [0,0,0,1,0,0|1,0,1]=3 58 B12R2.3901 O=C1NS(=O)(=O)N2[C@H]1CCC2 Z1216855839 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,0,0,0,1,0|2,0,0]=3 60 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,0,0,0,1,0|2,0,0]=3 61 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N Z220816104 [0,0,0,0,0,1|1,0,0]=2 62 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O Z85893766 [0,0,0,0,0,1|0,0,0]=1 63 B12R1.258 CC(=O)N1CCOC(C1)C(=O)O Z854090784 [0,0,0,0,0,1|1,0,0]=2 64 B12R1.258 CC(C)N1CCCC(C1)C(=O)O Z1695972376 [0,0,0,0,0,1|1,0,1]=3 65 B12R1.258 CN(C)C1CCCC(C1)C(=O)O Z1262537430 [0,0,0,0,0,1|3,0,0]=4 66 B12R1.258 CN(C)[C@@H]1CCC[C@@H](C1)C(=O)O Z2893808203 [0,0,0,0,0,1|3,0,0]=4 67 B12R1.258 NC(=O)C1CC(CCN1)C(=O)O Z1422040350 [0,0,0,0,0,1|3,0,0]=4 68 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O Z1157726699 [0,0,0,0,0,1|2,0,0]=3 69 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O Z104510598 [0,0,0,0,0,1|1,0,0]=2 70 B12R1.258 O=C(O)C1CCCC(C1)C(=O)O Z443356938 [0,0,0,0,0,1|2,0,0]=3 71 B12R1.258 O=C(O)C1CSCC(N1)C(=O)O Z3824194582 [0,0,0,0,0,1|3,0,0]=4 72 B12R1.258 O=C(O)[C@@H]1CSC[C@H](N1)C(=O)O Z3913098746 [0,0,0,0,0,1|3,0,0]=4 73 B12R1.258 O=C(O)[C@H]1CCC[C@H](C1)C(=O)O Z1255446499 [0,0,0,0,0,1|2,0,0]=3 74 B12R1.261 C=C(C)[C@@H]1OCCC[C@@H]1C(=O)O Z2262036941 [0,0,0,0,0,1|2,0,0]=3 75 B12R1.261 CC(=O)N1CCCCC1C(=O)O Z85895893 [0,0,0,0,0,1|0,0,0]=1 76 B12R1.261 CC(=O)N1CCOCC1C(=O)O Z1258978283 [0,0,0,0,0,1|0,0,0]=1 77 B12R1.261 CC(=O)N1CCOC[C@H]1C(C)C Z2895392832 [0,0,0,0,0,1|2,0,1]=4 78 B12R1.261 CC(=O)N1CCSCC1C(=O)N Z1553145250 [0,0,0,0,0,1|1,0,0]=2 79 B12R1.261 CC(C)C1CNCCC1C(=O)O Z3711495838 [0,0,0,0,0,1|2,0,1]=4 80 B12R1.261 CC(C)C1OCCCC1C(=O)O Z1318264633 [0,0,0,0,0,1|2,0,1]=4 81 B12R1.261 CC(C)N1CCCCC1C(=O)O Z1259339941 [0,0,0,0,0,1|1,0,1]=3 82 B12R1.261 CC(C)[C@@H]1CNCC[C@@H]1C(=O)O Z3710256776 [0,0,0,0,0,1|2,0,1]=4 83 B12R1.261 CC(C)[C@@H]1OCCC[C@H]1C(=O)O Z2262041787 [0,0,0,0,0,1|2,0,1]=4 84 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [0,0,0,0,0,1|2,0,0]=3 85 B12R1.261 O=C(O)C1CCCNC1C(=O)O Z4868649122 [0,0,0,0,0,1|2,0,0]=3 86 B12R1.261 O=C(O)C1CCNCC1C(=O)O Z1655104197 [0,0,0,0,0,1|2,0,0]=3 87 B12R1.261 O=C(O)C1NCCNC1C(=O)O Z4622642298 [0,0,0,0,0,1|3,0,0]=4 88 B12R1.392 CC(=O)N1CCCC1CC(=O)O Z808565612 [0,0,0,0,0,1|0,0,0]=1 89 B12R1.392 CC(C)N1CCCC1CC(=O)O Z1480642730 [0,0,0,0,0,1|1,0,1]=3 90 B12R1.392 O=C(O)CN1CCCC1C(=O)O Z2694339170 [0,0,0,0,0,1|1,0,0]=2 91 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [1,0,1,0,0,0|1,0,1]=4 92 B9R0.15 CC(=O)N(CCO)CCO Z797582614 [1,0,1,0,0,0|1,0,1]=4 93 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [1,0,1,0,0,0|1,0,1]=4 94 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [1,0,1,0,0,0|1,0,0]=3 95 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [1,0,1,0,0,0|1,0,0]=3 96 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [1,0,1,0,0,0|2,0,0]=4 97 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [1,0,1,0,0,0|1,0,0]=3 98 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [1,0,1,0,0,0|1,0,1]=4 99 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [1,0,1,0,0,0|2,0,0]=4 100 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [1,0,1,0,0,0|2,0,0]=4 101 B9R0.2 CC(=O)NCCOCCO Z353623894 [1,0,1,0,0,0|1,0,1]=4 102 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,0,1,0,0,0|1,0,1]=4 103 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,0,1,0,0,0|0,0,1]=3 104 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.41 CN1CCCC1C(=O)O Z424762078 [2,0,0,0,0,0|0,0,0]=2 110 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [2,0,0,0,0,0|0,0,0]=2 111 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [2,0,0,0,0,0|1,0,1]=4 118 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [2,0,0,0,0,0|2,0,0]=4 119 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O Z1198151249 [0,1,1,0,0,0|0,0,1]=3 120 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Z56755951 [0,1,1,0,0,0|0,0,0]=2 121 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Z98657516 [0,1,1,0,0,0|1,0,1]=4 122 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Z756438860 [0,1,1,0,0,0|0,0,0]=2 123 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Z851793110 [0,1,1,0,0,0|0,0,0]=2 124 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O Z56862248 [0,1,1,0,0,0|1,0,0]=3 125 B11R0.115 CCC(C)C(NC(=O)N)C(=O)O Z56862687 [0,1,1,0,0,0|1,0,0]=3 126 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [0,1,1,0,0,0|0,0,0]=2 127 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [0,1,1,0,0,0|1,0,0]=3 128 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,1,1,0,0,0|0,0,0]=2 129 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,1,1,0,0,0|0,0,0]=2 130 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,1,1,0,0,0|0,0,0]=2 131 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,1,1,0,0,0|0,0,0]=2 132 B11R0.317 CC(=O)N(C(C)C)C(C)C(=O)O Z1147232208 [0,1,1,0,0,0|0,0,0]=2 133 B11R0.6 CC(=CCCC(C)CC(=O)O)C Z1255423445 [0,1,1,0,0,0|2,0,0]=4 134 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,1,1,0,0,0|1,0,0]=3 135 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O Z3661982306 [0,1,1,0,0,0|0,0,0]=2 136 B11R0.29 N=C(N)NCCCC(N)C(=O)O Z56896349 [0,1,1,0,0,0|2,0,0]=4 137 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O Z1201618596 [0,1,1,0,0,0|2,0,0]=4 138 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O Z1143220275 [0,1,1,0,0,0|2,0,0]=4 139 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O Z1255438848 [0,1,1,0,0,0|1,0,0]=3 140 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O Z1198149761 [0,1,1,0,0,0|1,0,0]=3 141 B11R0.85 CC(=O)NCC(=O)NCC(=O)O Z85906528 [0,1,1,0,0,0|1,0,1]=4 142 B11R1.59 C=CC(=O)N1CCCC1CO Z817031040 [1,1,0,0,0,0|0,0,2]=4 143 B11R1.59 N#C[C@@H]1CCCN1C(=O)CCl Z1198180839 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.193 C#CCN1CCC[C@H]1C(=O)O Z1079126050 [1,1,0,0,0,0|0,0,2]=4 145 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [1,1,0,0,0,0|0,0,1]=3 147 B11R1.193 COCC1CCCN1C(=O)N Z1216834025 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.731 CC(C)(C)N1CCC1C(=O)O Z1201622156 [0,1,0,0,1,0|1,0,1]=4 149 B11R1.731 CS(=O)(=O)N1CCC1C(=O)O Z2185544754 [0,1,0,0,1,0|1,0,0]=3 150 B13R1.126 O=C(O)[C@@H]1C[C@@H](C[C@@H](C1)C(=O)O)O Z3325143012 [0,1,0,0,0,1|2,0,0]=4 151 B13R1.345 CS(=O)(=O)N1CCCC(C1)C(=O)N Z133717798 [0,1,0,0,0,1|2,0,0]=4 152 B13R1.345 CS(=O)(=O)N1CCCC(C1)C(=O)O Z133632670 [0,1,0,0,0,1|1,0,0]=3 153 B13R1.345 NS(=O)(=O)N1CCCC(C1)C(=O)O Z295879482 [0,1,0,0,0,1|2,0,0]=4 154 B13R1.345 O=C(O)C1CCCN(C1)S(=O)(=O)F Z4335589831 [0,1,0,0,0,1|2,0,0]=4 155 B13R1.543 C=CC(=O)N1CCCC(C1)C(=O)N Z440633622 [0,1,0,0,0,1|1,0,1]=4 156 B13R1.543 C=CC(=O)N1CCCC(C1)C(=O)O Z316091100 [0,1,0,0,0,1|0,0,1]=3 157 B13R1.543 C=CC(=O)N1CCC[C@H](C1)C(=O)O Z1436239338 [0,1,0,0,0,1|0,0,1]=3 158 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)O Z85893805 [0,1,0,0,0,1|0,0,0]=2 159 B13R1.543 COC(=O)C1CCCC(C1)C(=O)O Z445153370 [0,1,0,0,0,1|1,0,0]=3 160 B13R1.543 COC(=O)N1CCCC(C1)C(=O)O Z192960162 [0,1,0,0,0,1|0,0,0]=2 161 B13R1.543 COC(=O)[C@@H]1CCC[C@@H](N1)C(=O)O Z4613327913 [0,1,0,0,0,1|1,0,0]=3 162 B13R1.543 NC(=O)C1CCCN(C1)C(=O)CCl Z147647666 [0,1,0,0,0,1|1,0,0]=3 163 B13R1.543 NCC(=O)N1CCCC(C1)C(=O)N Z3825688996 [0,1,0,0,0,1|1,0,0]=3 164 B13R1.8780 CC(=O)N1CCCC(C1)(O)C(=O)O Z2049876225 [0,1,0,0,0,1|0,0,0]=2 165 B13R1.8780 CC1(CCCC(C1)C(=O)O)C(=O)O Z1509084339 [0,1,0,0,0,1|2,0,0]=4 166 B13R1.349 CS(=O)(=O)N1CCCCC1C(=O)N Z133978172 [0,1,0,0,0,1|2,0,0]=4 167 B13R1.349 CS(=O)(=O)N1CCCCC1C(=O)O Z53827650 [0,1,0,0,0,1|1,0,0]=3 168 B13R1.349 NS(=O)(=O)N1CCCCC1C(=O)O Z295879490 [0,1,0,0,0,1|2,0,0]=4 169 B13R1.547 C=CC(=O)N1CCCCC1C(=O)O Z316091334 [0,1,0,0,0,1|0,0,1]=3 170 B13R1.547 C=CC(=O)N1CCCC[C@H]1C(=O)O Z1270581000 [0,1,0,0,0,1|0,0,1]=3 171 B13R1.547 CCC(=O)N1CCCCC1C(=O)O Z85895932 [0,1,0,0,0,1|0,0,0]=2 172 B13R1.547 COC(=O)C1CCNCC1C(=O)O Z3462229335 [0,1,0,0,0,1|1,0,0]=3 173 B13R1.547 COC(=O)C1CNCCC1C(=O)O Z3476971365 [0,1,0,0,0,1|1,0,0]=3 174 B13R1.547 COC(=O)C1CNCCN1C(=O)C Z4085513941 [0,1,0,0,0,1|0,0,0]=2 175 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955918666 [0,1,0,0,0,1|1,0,0]=3 176 B13R1.547 COC(=O)[C@@H]1CNCC[C@@H]1C(=O)O Z5118494950 [0,1,0,0,0,1|1,0,0]=3 177 B13R1.547 NC(=O)C1CCCCN1C(=O)CCl Z147647664 [0,1,0,0,0,1|1,0,0]=3 178 B13R1.350 CC(C)C(=O)N1CCCC1C(=O)O Z85890939 [0,1,0,0,0,1|1,0,1]=4 179 B13R1.350 NC(=O)C1CCCN1C(=O)C(=O)O Z424779562 [0,1,0,0,0,1|2,0,0]=4 180 B13R1.551 C=C(Br)CN1CCC[C@H]1C(=O)OC Z1218354811 [0,1,0,0,0,1|1,0,1]=4 181 B13R1.551 C=C(Cl)CN1CCC[C@H]1C(=O)OC Z1218355375 [0,1,0,0,0,1|1,0,1]=4 182 B13R1.551 C=CC(=O)N1CCC[C@H]1CC(=O)O Z3004772581 [0,1,0,0,0,1|0,0,1]=3 183 B13R1.273 CCS(=O)(=O)N1CCCC1C(=O)O Z53825414 [0,2,0,0,0,0|1,0,0]=3 184 B13R1.273 CCS(=O)(=O)N1CCC[C@@H]1C(=O)N Z3766566001 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.273 CCS(=O)(=O)N1CCC[C@H]1C(=O)N Z2704629241 [0,2,0,0,0,0|2,0,0]=4 186 B13R1.552 CNC(=O)C1CCCN1S(=O)(=O)C Z252844824 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.552 COC(=O)C1CCCN1S(=O)(=O)C Z198744956 [0,2,0,0,0,0|1,0,0]=3 188 B13R1.552 COC(=O)C1CSCN1S(=O)(=O)C Z150918200 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.1093 C[C@@]1(CCCN1S(=O)(=O)C)C(=O)O Z2757690060 [0,2,0,0,0,0|1,0,0]=3 190 B13R1.467 CCCC(=O)N1CCCC1C(=O)O Z285193920 [0,2,0,0,0,0|0,0,0]=2 191 B13R1.467 CCCC(=O)N1CSCC1C(=O)O Z316101404 [0,2,0,0,0,0|1,0,0]=3 192 B13R1.467 CCNC(=O)N1CSCC1C(=O)O Z147652050 [0,2,0,0,0,0|1,0,0]=3 193 B13R1.467 CCOC(=O)N1CSCC1C(=O)O Z316101664 [0,2,0,0,0,0|1,0,0]=3 194 B13R1.467 CCOC(=O)[C@@H]1CCN[C@@H]1C(=O)O Z3992806676 [0,2,0,0,0,0|2,0,0]=4 195 B13R1.467 NCCC(=O)N1CCCC1C(=O)O Z4443139621 [0,2,0,0,0,0|0,0,0]=2 196 B13R1.553 C=CC(=O)N1CCC[C@@H]1C(=O)OC Z3024767544 [0,2,0,0,0,0|0,0,1]=3 197 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)NC Z1216861172 [0,2,0,0,0,0|1,0,1]=4 198 B13R1.553 CNC(=O)C1CCCN1C(=O)CN Z1263602470 [0,2,0,0,0,0|1,0,0]=3 199 B13R1.553 COC(=O)C1CCCN1C(=O)OC Z240297962 [0,2,0,0,0,0|0,0,0]=2 200 B13R1.553 COC(=O)C1CNCC1C(=O)OC Z2941715978 [0,2,0,0,0,0|2,0,0]=4 201 B13R1.8761 CC(=O)N1C(CCC1(C)C)C(=O)O Z1255398022 [0,2,0,0,0,0|0,0,0]=2 202 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)O)(F)F Z2739903806 [0,2,0,0,0,0|0,0,0]=2 203 B13R1.1046 CC(=O)N1CS(=O)(=O)CC1C(=O)O Z1269158080 [0,2,0,0,0,0|1,0,0]=3 204 B13R1.2988 CO[C@H]1C[C@@H](N(C1)C(=O)C)C(=O)O Z1753047959 [0,2,0,0,0,0|0,0,0]=2 205 B11R1.74 CC(=O)N1C[C@@H](O[C@@H](C1)C)C Z1610022523 [0,0,1,1,0,0|1,0,1]=4 206 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,0,1,1,0,0|2,0,0]=4 207 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,0,1,1,0,0|0,0,0]=2 208 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,0,1,1,0,0|1,0,1]=4 209 B11R1.86 NC(=O)CN1CCNCC1=O Z975809934 [0,0,1,1,0,0|2,0,0]=4 210 B11R1.86 O=C(O)CN1CCCNC1=O Z362638292 [0,0,1,1,0,0|1,0,0]=3 211 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,0,1,1,0,0|0,0,0]=2 212 B11R1.645 NC(=O)CN1CC(CC1=O)O Z1178486698 [0,0,1,1,0,0|2,0,0]=4 213 B11R1.645 NC(=O)CN1C[C@@H](CC1=O)O Z1255379534 [0,0,1,1,0,0|2,0,0]=4 214 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [0,0,1,1,0,0|1,0,0]=3 215 B11R1.929 O=C(O)CC1(CCC1)C(=O)O Z1262513713 [0,0,1,1,0,0|2,0,0]=4 216 B11R1.89 CC(C(=O)O)N1CCOC1=O Z323040336 [0,0,1,1,0,0|1,0,0]=3 217 B11R1.159 CC(=O)N1CCOC(C1C)C Z1440865033 [0,0,1,1,0,0|1,0,1]=4 218 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,0,1,1,0,0|0,0,0]=2 219 B11R1.515 CN1C(CCS1(=O)=O)C(=O)O Z1504680896 [0,0,1,1,0,0|2,0,0]=4 220 B11R1.75 O=C(O)CCC1CCC(=O)N1 Z1198163513 [0,0,1,1,0,0|2,0,0]=4 221 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,0,1,1,0,0|1,0,0]=3 222 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,1,1,0,0|2,0,0]=4 223 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,0,1,1,0,0|1,0,0]=3 224 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,0,1,1,0,0|2,0,0]=4 225 B11R1.177 O=C(O)C1CCCNS1(=O)=O Z3026726505 [0,0,1,1,0,0|2,0,0]=4 226 B11R2.106 O=C1CCNC2N1CCC2 Z2900168935 [1,0,0,1,0,0|2,0,0]=4 227 B11R2.106 O=C1NCCN2C1CCC2 Z336079880 [1,0,0,1,0,0|1,0,1]=4 228 B11R2.202 N=C1NC(=O)C2N1CCC2 Z2756883843 [1,0,0,1,0,0|2,0,0]=4 229 B11R2.202 O=C1NC(=O)N2C1CCC2 Z56876516 [1,0,0,1,0,0|1,0,0]=3 230 B11R2.202 O=C1NC(=O)N2C1CSC2 Z57479759 [1,0,0,1,0,0|2,0,0]=4 231 B11R2.845 CC(=O)C1CC2C=CC1C2 Z104494380 [1,0,0,1,0,0|2,0,0]=4 232 B11R2.845 CC(=O)N1C[C@@H]2C[C@H]1CN2 Z3719032693 [1,0,0,1,0,0|1,0,1]=4 233 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [1,0,0,1,0,0|1,0,1]=4 234 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [1,0,0,1,0,0|1,0,1]=4 235 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [1,0,0,1,0,0|1,0,1]=4 236 B13R2.4695 O=C(O)[C@@H]1C[C@@H]2C[C@H](C1)C(=O)N2 Z5352464609 [0,0,0,1,0,1|2,0,0]=4 237 B13R2.4742 O=C1NC2CCC1CC2C(=O)O Z5398166577 [0,0,0,1,0,1|2,0,0]=4 238 B13R2.13714 NC(=O)C12CCCC1(C2)C(=O)O Z1262535373 [0,0,0,1,0,1|2,0,0]=4 239 B13R2.13714 O=C(O)C12CCCC1(C2)C(=O)O Z1262514873 [0,0,0,1,0,1|2,0,0]=4 240 B13R2.371 O=C1NCC(=O)N2C1CCCC2 Z1187847303 [0,0,0,1,0,1|1,0,0]=3 241 B13R2.354 O=C(O)C12CCCN1CC(C2)O Z4951365714 [0,0,0,1,0,1|0,0,2]=4 242 B13R2.3040 O=C1NCCC(=O)N2C1CCC2 Z1359690385 [0,1,0,1,0,0|1,0,0]=3 243 B13R2.3749 CC1=NN=C2N1C(CC2)C(=O)O Z1255503410 [0,1,0,1,0,0|1,0,1]=4 244 B13R2.3749 O=C(O)C1CCC2N1C(=O)CC2 Z1509044927 [0,1,0,1,0,0|0,0,0]=2 245 B13R2.5083 O=C1CCC2(N1CCS2)C(=O)O Z57000504 [0,1,0,1,0,0|1,0,0]=3 246 B13R2.5393 CC1NC(=O)C2CCCN2C1=O Z1187847304 [0,1,0,1,0,0|1,0,0]=3 247 B13R3.3910 O=C(O)C1C2CC3C1C3C2=O Z1262511972 [0,0,0,2,0,0|1,0,0]=3 248 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,0,1,0,1,0|1,0,1]=4 249 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,0,1,0,1,0|2,0,0]=4 250 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,0,1,0,1,0|1,0,1]=4 251 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,0,1,0,1,0|1,0,1]=4 252 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,1,0,1,0|1,0,1]=4 253 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,0,1,0,1,0|2,0,0]=4 254 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,0,1,0,1,0|1,0,0]=3 255 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,0,1,0,1,0|2,0,0]=4 256 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,0,1,0,1,0|1,0,0]=3 257 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,0,1,0,1,0|1,0,0]=3 258 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,0,2,0|2,0,0]=4 259 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,0,2,0|2,0,0]=4 260 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,0,2,0|2,0,0]=4 261 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [0,0,1,0,0,1|2,0,0]=4 262 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,0,1,0,0,1|1,0,0]=3 263 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [0,0,1,0,0,1|1,0,0]=3 264 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [0,0,1,0,0,1|0,0,0]=2 265 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [0,0,1,0,0,1|1,0,0]=3 266 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [0,0,1,0,0,1|2,0,0]=4 267 B11R1.53 C#C[C@@H]1CCCCN1C(=O)C Z1070301634 [1,0,0,0,0,1|1,0,1]=4 268 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [1,0,0,0,0,1|0,0,1]=3 269 B11R1.53 CC(=O)N1CCSCC1C#N Z1590810236 [1,0,0,0,0,1|1,0,1]=4 270 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [1,0,0,0,0,1|1,0,1]=4 271 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [1,0,0,0,0,1|1,0,1]=4 272 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [1,0,0,0,0,1|0,0,1]=3 273 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [1,0,0,0,0,1|0,0,1]=3 274 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [1,0,0,0,0,1|2,0,0]=4 275 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [1,0,0,0,0,1|2,0,0]=4 276 B11R1.53 O=CC1=CNCCC1C(=O)O Z3469696901 [1,0,0,0,0,1|1,0,1]=4 277 B11R1.53 O=NN1CCCCC1C(=O)O Z1198157894 [1,0,0,0,0,1|1,0,0]=3 278 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [1,0,0,0,0,1|0,0,1]=3 279 B11R1.57 O=C(O)CN1CCCC1CO Z817025854 [1,0,0,0,0,1|1,0,1]=4 280 B11R1.266 CC(=O)N1CCCC(C1)C#N Z1227732279 [1,0,0,0,0,1|1,0,1]=4 281 B11R1.266 CC(=O)N1CCCC(C1)C=O Z1198307017 [1,0,0,0,0,1|0,0,0]=2 282 B11R1.266 CC(=O)N1CCCC(C1)CN Z1456458952 [1,0,0,0,0,1|1,0,1]=4 283 B11R1.266 CC(=O)N1CCCC(C1)CO Z275731866 [1,0,0,0,0,1|0,0,1]=3 284 B11R1.266 CC(=O)N1CCOC(C1)CO Z1436457631 [1,0,0,0,0,1|1,0,1]=4 285 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [1,0,0,0,0,1|1,0,1]=4 286 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [1,0,0,0,0,1|0,0,1]=3 287 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [1,0,0,0,0,1|1,0,1]=4 288 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [1,0,0,0,0,1|2,0,0]=4 289 B11R1.175 CC(=O)N1CCC(C1)C(=O)O Z1078654182 [0,0,0,0,1,1|0,0,0]=2 290 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Z1814367061 [0,0,0,0,1,1|2,0,0]=4 291 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,0,0,0,1,1|2,0,0]=4 292 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,0,0,0,1,1|2,0,0]=4 293 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,0,0,0,1,1|2,0,0]=4 294 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,0,0,0,1,1|2,0,0]=4 295 B13R1.587 CC(=O)N1CCCC(C1)CC(=O)N Z1319921352 [0,0,0,0,0,2|1,0,0]=3 296 B13R1.587 CC(C)CN1CCCC(C1)C(=O)O Z197288182 [0,0,0,0,0,2|1,0,1]=4 297 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O Z1459951260 [0,0,0,0,0,2|1,0,1]=4 298 B13R1.8652 CC(=O)N1CCCN(CC1)C(=O)C Z254262744 [0,0,0,0,0,2|2,0,0]=4 299 B13R1.8652 NC(=O)C1CCCC(CC1)C(=O)O Z4778991002 [0,0,0,0,0,2|2,0,0]=4 300 B13R1.589 CC(=O)N1CCCCC1CC(=O)O Z728863712 [0,0,0,0,0,2|0,0,0]=2 301 B13R1.589 CC(C)CN1CCCCC1C(=O)O Z228589138 [0,0,0,0,0,2|1,0,1]=4 302 B13R1.3576 CC(C)CCN1CCCC1C(=O)O Z355425702 [0,0,0,0,0,2|1,0,1]=4 303 B13R1.3576 NC(=O)CCN1CCCC1C(=O)N Z56973524 [0,0,0,0,0,2|2,0,0]=4