0 B11R0.160 CCCCC(NC(=O)N)C(=O)O Z425424974 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.160 COCCC(NC(=O)C)C(=O)O Z979419978 [0,0,0,0,0,0|0,1,0]=1 2 B11R0.160 CSCCC(NC(=O)C)C(=O)O Z85883131 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)O Z756444180 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [1,0,0,0,0,0|0,0,2]=3 5 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [1,0,0,0,0,0|0,0,0]=1 6 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [1,0,0,0,0,0|1,0,0]=2 9 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O Z85900147 [0,1,0,0,0,0|2,0,0]=3 10 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O Z1201004109 [0,1,0,0,0,0|1,0,0]=2 11 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O Z756456072 [0,1,0,0,0,0|2,0,0]=3 12 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Z98654650 [0,1,0,0,0,0|2,0,0]=3 13 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O Z57009566 [0,1,0,0,0,0|3,0,0]=4 14 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O Z756468010 [0,1,0,0,0,0|3,0,0]=4 15 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)O Z1123702071 [0,1,0,0,0,0|0,1,1]=3 16 B12R1.11 CC[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3826900536 [0,0,0,1,0,0|3,0,0]=4 17 B12R1.261 CC(=O)N1CCCCC1C(=O)O Z85895893 [0,0,0,1,0,0|1,0,0]=2 18 B12R1.261 CC(=O)N1CCOCC1C(=O)O Z1258978283 [0,0,0,1,0,0|2,0,0]=3 19 B12R1.261 CC(=O)N1CCSCC1C(=O)N Z1553145250 [0,0,0,1,0,0|3,0,0]=4 20 B12R1.261 CC(C)N1CCCCC1C(=O)O Z1259339941 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.261 O=C(O)C1CCNCC1C(=O)O Z1655104197 [0,0,0,1,0,0|3,0,0]=4 23 B12R1.1011 O=C1CCCCCC(C1)C(=O)O Z1262523591 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.3171 CC(=O)CC1(CCCC1)C(=O)O Z2732506929 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.3171 CC(=O)NC1(CCCC1)C(=O)O Z234898151 [0,0,0,1,0,0|1,0,0]=2 26 B12R1.3171 O=C(O)CC1(CCCC1)C(=O)O Z1198154424 [0,0,0,1,0,0|3,0,0]=4 27 B12R1.3171 O=C(O)CC1(CCNC1)C(=O)O Z1508910011 [0,0,0,1,0,0|3,0,0]=4 28 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,0,0,0,1,0|2,0,0]=3 29 B10R0.17 NCCCC(C(=O)O)C(=O)O Z3379289602 [0,0,0,0,1,0|3,0,0]=4 30 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [2,0,0,0,0,0|0,1,0]=3 32 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [2,0,0,0,0,0|0,0,0]=2 33 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [2,0,0,0,0,0|1,0,0]=3 35 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.39 N=C(N)NC(CS)C(=O)O Z1262518379 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [2,0,0,0,0,0|1,1,0]=4 38 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [2,0,0,0,0,0|0,1,1]=4 39 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [2,0,0,0,0,0|1,0,1]=4 40 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.32 C=C(C)CC(NC(=O)C)C(=O)O Z1198151249 [1,1,0,0,0,0|0,0,1]=3 42 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Z56755951 [1,1,0,0,0,0|0,0,0]=2 43 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Z98657516 [1,1,0,0,0,0|0,1,1]=4 44 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Z756438860 [1,1,0,0,0,0|0,0,0]=2 45 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Z851793110 [1,1,0,0,0,0|0,0,0]=2 46 B11R0.32 CC(C)CC(NC(=O)N)C(=O)O Z56862248 [1,1,0,0,0,0|1,0,0]=3 47 B11R0.115 CCC(C)C(NC(=O)N)C(=O)O Z56862687 [1,1,0,0,0,0|1,0,0]=3 48 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O Z98656805 [1,1,0,0,0,0|0,0,0]=2 49 B11R0.236 CCC[C@@H](NC(=O)CN)C(=O)O Z3542998518 [1,1,0,0,0,0|0,0,0]=2 50 B13R0.281 CCCCCCC(NC(=O)C)C(=O)O Z1147230696 [0,2,0,0,0,0|1,0,0]=3 51 B13R0.1531 CCS(=O)(=O)NC(CCSC)C(=O)O Z53825190 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [1,0,0,1,0,0|0,0,0]=2 54 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [1,0,0,1,0,0|1,0,1]=4 55 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [1,0,0,1,0,0|0,0,0]=2 56 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [1,0,0,1,0,0|0,0,0]=2 57 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [1,0,0,1,0,0|0,0,0]=2 58 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [1,0,0,1,0,0|1,0,1]=4 59 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [1,0,0,1,0,0|2,0,0]=4 62 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [1,0,0,1,0,0|0,0,0]=2 63 B11R1.929 CC(=O)CC1(CCC1)C(=O)O Z1836202432 [1,0,0,1,0,0|1,0,0]=3 64 B11R1.929 O=C(O)CC1(CCC1)C(=O)O Z1262513713 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.53 CC(=O)N1CCCCC1CO Z275745460 [1,0,0,1,0,0|1,0,1]=4 66 B11R1.230 CCCCC1NC(=O)NC1=O Z425426760 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.230 CSCCC1NC(=O)NC1=O Z56867181 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [1,0,0,1,0,0|2,0,0]=4 69 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [1,0,0,1,0,0|1,0,1]=4 70 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [1,0,0,1,0,0|1,0,1]=4 71 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [1,0,0,1,0,0|0,1,1]=4 72 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [1,0,0,1,0,0|1,0,1]=4 73 B11R1.1239 O=CNC1(CCCC1)C(=O)O Z760037150 [1,0,0,1,0,0|1,0,0]=3 74 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,0,0,1,1,0|2,0,0]=4 75 B11R1.166 CC1CCC(C(=O)N1)C(=O)O Z1262552841 [0,0,0,1,1,0|2,0,0]=4 76 B11R1.1381 O=C(O)C(CC1CC1)C(=O)O Z1198161252 [0,0,0,1,1,0|2,0,0]=4 77 B13R1.1113 CC(=O)NC(C(=O)O)C1CCCC1 Z168827502 [0,1,0,1,0,0|1,0,0]=3 78 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)O Z85888094 [0,1,0,1,0,0|1,0,0]=3 79 B13R1.8842 NC(=O)NC1(CCCCC1)C(=O)O Z299633326 [0,1,0,1,0,0|2,0,0]=4 80 B13R1.8853 CC(=O)N[C@H](CC1CCC1)C(=O)O Z1888396399 [0,1,0,1,0,0|1,0,0]=3 81 B13R1.349 CS(=O)(=O)N1CCCCC1C(=O)O Z53827650 [0,1,0,1,0,0|2,0,0]=4 82 B13R1.527 O=C(CCl)NC1CCCCNC1=O Z374049348 [0,1,0,1,0,0|2,0,0]=4 83 B13R1.547 C=CC(=O)N1CCCCC1C(=O)O Z316091334 [0,1,0,1,0,0|1,0,1]=4 84 B13R1.547 C=CC(=O)N1CCCC[C@H]1C(=O)O Z1270581000 [0,1,0,1,0,0|1,0,1]=4 85 B13R1.547 CCC(=O)N1CCCCC1C(=O)O Z85895932 [0,1,0,1,0,0|1,0,0]=3 86 B13R1.547 COC(=O)C1CNCCC1C(=O)O Z3476971365 [0,1,0,1,0,0|2,0,0]=4 87 B13R1.547 COC(=O)C1CNCCN1C(=O)C Z4085513941 [0,1,0,1,0,0|2,0,0]=4 88 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955918666 [0,1,0,1,0,0|2,0,0]=4 89 B13R1.547 COC(=O)[C@@H]1CNCC[C@@H]1C(=O)O Z5118494950 [0,1,0,1,0,0|2,0,0]=4 90 B13R1.547 NC(=O)C1CCCCN1C(=O)CCl Z147647664 [0,1,0,1,0,0|2,0,0]=4 91 B13R1.2679 CC1CCC(C(=O)N1)NC(=O)CCl Z3254189693 [0,1,0,1,0,0|2,0,0]=4 92 B13R1.4930 CNC(=O)NC1(CCCC1)C(=O)O Z228368286 [0,1,0,1,0,0|1,0,0]=3 93 B13R1.4930 COC(=O)NC1(CCCC1)C(=O)O Z385442970 [0,1,0,1,0,0|1,0,0]=3 94 B13R1.8761 CC(=O)N1C(CCC1(C)C)C(=O)O Z1255398022 [0,1,0,1,0,0|1,0,0]=3 95 B13R1.2988 CO[C@H]1C[C@@H](N(C1)C(=O)C)C(=O)O Z1753047959 [0,1,0,1,0,0|0,1,0]=3 96 B13R1.4661 CC(=O)NC1(CCCC1)/C(=N\O)/N Z738711288 [0,1,0,1,0,0|2,0,0]=4 97 B13R1.4661 COC(=O)C1(CCCC1)NC(=O)C Z295477214 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.371 O=C1NCC(=O)N2C1CCCC2 Z1187847303 [0,0,0,2,0,0|2,0,0]=4 99 B13R2.12149 O=C1CC(C2(C1)CCC2)C(=O)O Z3300298042 [0,0,0,2,0,0|2,0,0]=4 100 B13R2.3749 O=C(O)C1CCC2N1C(=O)CC2 Z1509044927 [0,0,0,2,0,0|1,0,0]=3 101 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,0,0,0,1,0|1,0,1]=4 102 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,0,0,0,1,0|2,0,0]=4