0 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O Z1198178343 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.74 CC1=CC(=O)NC(=C1)C(=O)O Z2213893336 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.74 CC1=NC(=CC(=O)N1)C(=O)O Z2830621415 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.74 CC1=NC(=O)NC(=C1)C(=O)O Z426199850 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.74 NC(=O)C1=CC(=O)NC(=O)N1 Z33546649 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.74 O=C1C=C(C=C(N1)Br)C(=O)O Z2216720826 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.74 O=C1C=C(C=C(N1)C(=O)O)O Z2028214371 [0,0,0,0,0,0|1,0,3]=4 10 B11R1.74 O=C1C=C(C=C(N1)O)C(=O)O Z56855768 [0,0,0,0,0,0|1,0,3]=4 11 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O Z2848108703 [0,0,0,0,0,0|0,0,2]=2 12 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O Z337709370 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.74 O=C1CC(CC(=O)N1)C(F)F Z3216186358 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.74 O=C1N=C(NC(=O)N1)C(=O)[O-] Z3066893590 [0,0,0,0,0,0|1,0,2]=3 16 B10R1.8 CCC1CC(=O)NC(=O)C1 Z1095368879 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.113 O=C1C=C(C=CN1)C(=O)O Z1416200909 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.113 O=C1C=C(N=CN1)C(=O)O Z2689031648 [1,0,0,0,0,0|0,0,3]=4 19 B10R1.113 O=C1C=CC=C(N1)C(=O)O Z359371306 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [1,0,0,0,0,0|1,0,1]=3 24 B12R1.11 CC[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3826900536 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.511 NC1=C(NC(=O)NC1=O)C(=O)O Z104474086 [0,1,0,0,0,0|0,0,2]=3 26 B12R1.3005 O=C1CS(=O)(=O)CC(N1)C(=O)O Z2732688911 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,0,1,0,0,0|2,0,0]=3 28 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,0,1,0,0,0|2,0,1]=4 29 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,0,1,0,0,0|1,0,1]=3 30 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,0,1,0,0,0|1,0,1]=3 31 B10R0.26 COCC(=O)NC(C)C(=O)O Z85890361 [0,0,1,0,0,0|3,0,0]=4 32 B10R0.96 CC(N)CC(=O)NCC(=O)O Z760081580 [0,0,1,0,0,0|2,0,1]=4 33 B10R0.96 CN(C)CC(=O)NCC(=O)O Z1262518101 [0,0,1,0,0,0|3,0,0]=4 34 B10R0.96 CN(C)NC(=O)CCC(=O)O Z1255457389 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.58 CN1CC(CC1=O)C(=O)O Z57472350 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.59 CC(C)C1NC(=O)NC1=O Z147652472 [0,0,0,0,1,0|2,0,1]=4 39 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,0,0,0,1,0|2,0,1]=4 40 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,0,0,0,1,0|2,0,1]=4 41 B10R1.59 CN(C)C1CC(=O)NC1=O Z1065613566 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.101 O=C(O)CC1=CC(=O)NC(=O)N1 Z57046946 [0,0,0,0,0,1|0,0,2]=3 43 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 Z1201623211 [0,0,0,0,0,1|1,0,0]=2 44 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [1,0,1,0,0,0|1,1,0]=4 46 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [1,0,1,0,0,0|0,0,1]=3 47 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [1,0,1,0,0,0|1,1,0]=4 48 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [1,0,1,0,0,0|0,0,1]=3 49 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [1,0,1,0,0,0|1,0,1]=4 51 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [1,0,1,0,0,0|0,0,1]=3 54 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,0,1,0,0,0|1,0,1]=4 55 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [1,0,1,0,0,0|1,0,1]=4 56 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [1,0,1,0,0,0|1,0,1]=4 57 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [1,0,1,0,0,0|1,0,1]=4 58 B9R0.4 NCCCC(=O)NC(=O)N Z1416282444 [1,0,1,0,0,0|1,0,1]=4 59 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [1,0,1,0,0,0|1,0,1]=4 60 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [1,0,1,0,0,0|2,0,0]=4 61 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [1,0,1,0,0,0|0,0,1]=3 62 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.34 O=C1CC(=O)NC(=O)N1 Z104473234 [2,0,0,0,0,0|0,0,1]=3 65 B9R1.34 O=C1CC(=O)NC(=S)N1 Z104473236 [2,0,0,0,0,0|0,1,1]=4 66 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [2,0,0,0,0,0|1,0,1]=4 67 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [2,0,0,0,0,0|0,0,2]=4 68 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O Z1198151249 [0,1,1,0,0,0|2,0,0]=4 69 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)N Z1198152828 [0,1,1,0,0,0|2,0,0]=4 70 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Z98657516 [0,1,1,0,0,0|1,0,0]=3 71 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O Z56862248 [0,1,1,0,0,0|1,0,1]=4 72 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O Z1255419161 [0,1,1,0,0,0|2,0,0]=4 73 B11R0.115 CCC(C)C(NC(=O)N)C(=O)O Z56862687 [0,1,1,0,0,0|1,0,1]=4 74 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [0,1,1,0,0,0|1,0,1]=4 75 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [0,1,1,0,0,0|1,0,1]=4 76 B11R0.10 CCNC(=O)NC(C)(C)C(=O)O Z278200354 [0,1,1,0,0,0|1,0,1]=4 77 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.23 COC(=O)C1CCNC(=O)C1 Z1255401784 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.23 COC(=O)C1CNNC(=O)C1 Z1198152912 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.225 COC(=O)C1=C(NC(=O)N1)C Z1331283238 [0,1,0,0,1,0|1,0,1]=4 82 B11R1.225 COC(=O)C1CC(=O)C=C1C Z1513617738 [0,1,0,0,1,0|2,0,0]=4 83 B11R1.489 CC1(NC(=O)CC1C(=O)O)C Z2681264981 [0,1,0,0,1,0|1,0,1]=4 84 B13R1.2678 COC(=O)C1=CC(=O)N(C(=O)N1)C Z1509163154 [0,2,0,0,0,0|0,0,2]=4 85 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [0,0,1,1,0,0|1,0,1]=4 86 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [0,0,1,1,0,0|1,0,1]=4 87 B11R1.645 NC(=O)NC1NC(=O)NC1=O Z104486690 [0,0,1,1,0,0|2,0,0]=4 88 B11R1.645 O=C(O)CC1NC(=O)NC1=O Z57662377 [0,0,1,1,0,0|2,0,0]=4 89 B11R1.35 NC(CC1=CC=CN1)C(=O)O Z1065645554 [0,0,1,1,0,0|2,0,0]=4 90 B11R1.75 NC1=NC=C(N1)CCC(=O)O Z3300728684 [0,0,1,1,0,0|2,0,0]=4 91 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Z1262517531 [0,0,1,1,0,0|1,0,0]=3 92 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Z1695669919 [0,0,1,1,0,0|1,0,1]=4 93 B11R1.75 O=C(O)CCC1CNC(=O)N1 Z1262531245 [0,0,1,1,0,0|1,0,1]=4 94 B11R1.348 O=C(O)CNC(=O)NC1CC1 Z278201216 [0,0,1,1,0,0|1,0,1]=4 95 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [1,0,0,1,0,0|1,0,1]=4 96 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [1,0,0,1,0,0|1,0,1]=4 97 B9R0.7 CC(C)C(=O)NCC(=O)O Z85886685 [0,0,1,0,1,0|1,0,1]=4 98 B9R0.7 CC(S)C(=O)NCC(=O)O Z2681891170 [0,0,1,0,1,0|0,1,1]=4 99 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,0,1,0,1,0|1,0,0]=3 100 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,0,1,0,1,0|1,0,1]=4 101 B9R0.53 NC(=O)NC(=O)NC(=O)N Z1203578071 [0,0,1,0,1,0|2,0,0]=4 102 B9R1.22 CCC1NC(=O)NC1=O Z270832922 [1,0,0,0,1,0|1,0,1]=4 103 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [1,0,0,0,1,0|1,0,1]=4 104 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [1,0,0,0,1,0|0,0,1]=3 105 B9R1.22 O=C1NC(=O)C(N1)CS Z235339363 [1,0,0,0,1,0|0,1,1]=4 106 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [1,0,0,0,1,0|0,0,1]=3 107 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [1,0,0,0,1,0|1,0,1]=4 108 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [1,0,0,0,1,0|0,0,2]=4 109 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [1,0,0,0,1,0|0,0,1]=3 110 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [1,0,0,0,1,0|1,0,1]=4 111 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [1,0,0,0,1,0|1,0,1]=4 112 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,0,1,0|1,0,1]=4 113 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [1,0,0,0,1,0|0,0,1]=3 114 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,0,1,0|1,0,1]=4 115 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [1,0,0,0,1,0|1,0,1]=4 116 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [1,0,0,0,1,0|0,0,1]=3 117 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [1,0,0,0,1,0|0,0,1]=3 118 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,0,1,0|0,0,1]=3 119 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [1,0,0,0,1,0|1,0,1]=4 120 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [1,0,0,0,1,0|1,0,1]=4 121 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [1,0,0,0,1,0|1,0,0]=3 123 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [1,0,0,0,1,0|0,0,1]=3 124 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [1,0,0,0,1,0|0,0,0]=2 125 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [1,0,0,0,1,0|1,0,0]=3 126 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [1,0,0,0,1,0|1,0,0]=3 127 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [1,0,0,0,1,0|2,0,0]=4 128 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,0,0,0,1,0|0,0,1]=3 129 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O Z1741979091 [0,0,1,0,0,1|1,0,1]=4 130 B11R0.6 N=C(N)NC(=N)NCCC(=O)O Z1262527471 [0,0,1,0,0,1|2,0,0]=4 131 B11R0.85 CC(=O)NCC(=O)NCC(=O)O Z85906528 [0,0,1,0,0,1|0,0,0]=2 132 B11R0.85 O=C(O)CCC(=O)NCC(=O)O Z608592516 [0,0,1,0,0,1|1,0,0]=3 133 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [1,0,0,0,0,1|1,0,1]=4 134 B11R1.166 CC1CCC(C(=O)N1)C(=O)O Z1262552841 [0,0,0,0,1,1|1,0,1]=4 135 B11R1.166 O=C1NC=C(C(=O)N1)C(=O)O Z104477702 [0,0,0,0,1,1|0,0,1]=3