0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 OR8729 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@H]1COC(=O)N1 OR8728 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 OR40451 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 OR61276 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 OR54386 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR30677 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 OR307107 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 OR30676 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 OR6733 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 OR30769 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 OR8964 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR17254 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR40650 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 O=C1CCC(C(=O)O)C1 OR301089 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 OR8965 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 OR22101 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C1CC[C@H](C(=O)O)N1 OR8966 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.1 C=CC1CCC(=O)N1 OR307048 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.1 NCC1CCC(=O)N1 OR953484 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.1 O=C1CC(CO)CN1 OR300508 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [1,0,0,0,0,0|0,0,1]=2 21 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [1,0,0,0,0,0|0,0,1]=2 23 B8R1.7 NC(=O)C1CC=CC1 OR11439 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 NC(=O)[C@@H]1CCCN1 OR3107 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 O=C(Cl)C1CCOC1 OR16566 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 O=C(O)C1=CC=CN1 OR23111 [1,0,0,0,0,0|0,0,3]=4 28 B8R1.7 O=C(O)C1=CN=CN1 OR5585 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.7 O=C(O)C1=NC=CN1 OR30610 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.7 O=C(O)C1C=CCN1 OR6272 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 O=C(O)C1CC=CC1 OR12005 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.7 O=C(O)C1CCCC1 OR18358 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.7 O=C(O)C1CCCN1 OR350110 [1,0,0,0,0,0|0,0,1]=2 34 B8R1.7 O=C(O)C1CCCO1 OR10057 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.7 O=C(O)C1CCOC1 OR16452 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 O=C(O)C1NCCS1 OR25449 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [1,0,0,0,0,0|0,0,1]=2 39 B10R1.14 COC(=O)C1CCC(=O)C1 OR42206 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.14 COC(=O)C1CNC(=O)C1 OR300522 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 OR350259 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.58 CN1CC(C(=O)O)CC1=O OR6333 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 OR8976 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.194 CN1CCC(C(=O)O)C1=O OR938615 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.359 CC1(C)CCC(C(=O)O)C1 OR306499 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 OR914154 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.9 COC(=O)\C=C\C(=O)O OR59971 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.9 NCC(=O)CCC(=O)O OR1490 [0,0,1,0,0,0|2,0,0]=3 49 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl OR42238 [0,0,1,0,0,0|2,0,0]=3 50 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OR322114 [0,0,1,0,0,0|1,0,0]=2 51 B8R0.23 O=C(O)CC(S)C(=O)O OR24868 [0,0,1,0,0,0|3,0,0]=4 52 B8R0.23 O=C(O)C[C@@H](O)C(=O)O OR315008 [0,0,1,0,0,0|3,0,0]=4 53 B8R0.23 O=C(O)C[C@H](O)C(=O)O OR51833 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.28 C=C(C)CCCC(=O)O OR16969 [0,0,1,0,0,0|2,0,0]=3 55 B8R0.28 O=C(Cl)CCCC(=O)Cl OR63039 [0,0,1,0,0,0|2,0,0]=3 56 B8R0.28 O=C(O)C=CCC(=O)O OR24560 [0,0,1,0,0,0|1,0,2]=4 57 B8R0.28 O=C(O)COCC(=O)O OR55403 [0,0,1,0,0,0|2,0,0]=3 58 B8R0.28 O=C(O)CSCC(=O)O OR0788 [0,0,1,0,0,0|2,0,0]=3 59 B8R0.28 O=C(O)\C=C\CC(=O)O OR20037 [0,0,1,0,0,0|1,0,2]=4 60 B8R1.23 C=C1CC(C(=O)O)C1 OR6346 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.23 CN1CC(C(=O)O)C1 OR308026 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 OR8278 [0,0,0,0,1,0|2,0,1]=4 63 B8R1.23 O=C1CC(C(=O)O)C1 OR40464 [0,0,0,0,1,0|1,0,0]=2 64 B10R1.13 CC(=O)N1CCC(=O)CC1 OR4551 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.13 CN1CCC(C(=O)O)CC1 OR5738 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.13 CN1CCC(C(=O)O)CC1 OR6930 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.13 NC1CCC(C(=O)O)CC1 OR17541 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 OR3286 [0,0,0,0,0,1|2,0,1]=4 69 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 OR3299 [0,0,0,0,0,1|2,0,1]=4 70 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 OR40634 [0,0,0,0,0,1|1,0,2]=4 71 B10R1.13 O=C1C=CC(C(=O)O)=NN1 OR21502 [0,0,0,0,0,1|0,0,3]=4 72 B10R1.13 O=C1CCC(C(=O)O)=NN1 OR21501 [0,0,0,0,0,1|0,0,1]=2 73 B10R1.13 O=C1CCC(C(=O)O)CC1 OR6345 [0,0,0,0,0,1|1,0,0]=2 74 B10R1.113 CN1CCCC(C(=O)O)C1 OR5741 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 CN1CCCC(C(=O)O)C1 OR6929 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 OR55486 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.113 CN1CCC[C@H](C(=O)O)C1 OR55487 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.113 NC1CCCC(C(=O)O)C1 OR3300 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 OR52453 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.113 O=C1C=CCC(C(=O)O)C1 OR305523 [0,0,0,0,0,1|1,0,1]=3 81 B10R1.113 O=C1CCCC(C(=O)O)C1 OR12931 [0,0,0,0,0,1|1,0,0]=2 82 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 OR51818 [0,0,0,0,0,1|0,0,0]=1 83 B7R0.3 C=CCNC(=O)CCl OR2301 [1,0,1,0,0,0|2,0,0]=4 84 B7R0.3 COC(=O)CCC=O OR313049 [1,0,1,0,0,0|2,0,0]=4 85 B7R0.4 C#CCCCC(=O)O OR30593 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.4 CCCCCC(=O)O OR6007 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.4 C\C=C\CCC(=O)O OR60122 [1,0,1,0,0,0|1,0,1]=4 88 B7R0.4 NCCCCC(=O)O OR310635 [1,0,1,0,0,0|0,0,1]=3 89 B7R0.4 O=C(O)CCCCBr OR9972 [1,0,1,0,0,0|1,0,1]=4 90 B7R0.5 C#CC[C@H](N)C(=O)O OR61064 [1,0,1,0,0,0|0,0,2]=4 91 B7R0.5 C=CC[C@@H](N)C(=O)O OR14737 [1,0,1,0,0,0|0,0,1]=3 92 B7R0.5 C=CC[C@H](N)C(=O)O OR14736 [1,0,1,0,0,0|0,0,1]=3 93 B7R0.5 CNCC(N)C(=O)O OR6120T [1,0,1,0,0,0|1,0,1]=4 94 B7R0.5 COCC(N)C(=O)O OR14804 [1,0,1,0,0,0|1,0,1]=4 95 B7R0.5 COC[C@H](N)C(=O)O OR55011 [1,0,1,0,0,0|1,0,1]=4 96 B7R0.5 NCCC(N)C(=O)O OR28169 [1,0,1,0,0,0|1,0,0]=3 97 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [1,0,1,0,0,0|0,0,1]=3 98 B7R0.6 CC(=O)CCC(C)=O OR8860 [1,0,1,0,0,0|2,0,0]=4 99 B7R0.6 CC(=O)OCC(=O)Cl OR1899 [1,0,1,0,0,0|2,0,0]=4 100 B7R0.15 CNC(CS)C(=O)O OR28148 [1,0,1,0,0,0|1,0,1]=4 101 B7R0.15 CN[C@@H](CO)C(=O)O OR54415 [1,0,1,0,0,0|1,0,1]=4 102 B7R0.2 CC(=O)NC(C)CN OR321289 [1,0,1,0,0,0|1,0,1]=4 103 B7R1.1 O=CC1CCCC1 OR16978 [2,0,0,0,0,0|1,0,1]=4 104 B7R1.1 OCC1CCCN1 OR13968 [2,0,0,0,0,0|0,0,2]=4 105 B7R1.1 OC[C@@H]1CCCN1 OR5872 [2,0,0,0,0,0|0,0,2]=4 106 B7R1.1 OC[C@H]1CCCN1 OR14514 [2,0,0,0,0,0|0,0,2]=4 107 B7R1.2 O=C1CCC(=O)C1 OR24952 [2,0,0,0,0,0|1,0,1]=4 108 B7R1.2 O=C1CCC(=O)O1 OR42120 [2,0,0,0,0,0|1,0,1]=4 109 B7R1.2 O=C1CSC(=O)N1 OR5630 [2,0,0,0,0,0|1,0,1]=4 110 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [2,0,0,0,0,0|2,0,0]=4 112 B9R0.7 CC(=O)SCC(C)C(=O)O OR2320 [0,1,1,0,0,0|2,0,0]=4 113 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O OR61506 [0,1,1,0,0,0|2,0,0]=4 114 B9R0.7 NC(=O)NC[C@H](N)C(=O)O OR1200T [0,1,1,0,0,0|1,0,0]=3 115 B9R0.7 O=C(O)CCC(=O)C(=O)O OR4662 [0,1,1,0,0,0|1,0,1]=4 116 B9R0.47 NCCCC[C@H](N)C(=O)O OR14752 [0,1,1,0,0,0|1,0,1]=4 117 B9R0.47 NCCCC[C@H](N)C(=O)O OR52570 [0,1,1,0,0,0|1,0,1]=4 118 B9R0.24 COC(=O)CCC(=O)CN OR1922 [0,1,1,0,0,0|2,0,0]=4 119 B9R0.24 COC(=O)NNC(=O)OC OR28149 [0,1,1,0,0,0|2,0,0]=4 120 B9R0.48 CCOC(=O)CCC(C)=O OR6033 [0,1,1,0,0,0|2,0,0]=4 121 B9R0.48 CCOC(=O)\C=C\C(=O)O OR59886 [0,1,1,0,0,0|1,0,1]=4 122 B9R0.39 CC(=O)NC(CO)C(=O)O OR22612 [0,1,1,0,0,0|1,0,0]=3 123 B9R0.39 CCC(CC(=O)O)C(=O)O OR7129 [0,1,1,0,0,0|1,0,0]=3 124 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl OR55182 [0,1,1,0,0,0|2,0,0]=4 125 B9R0.11 CC(C)(CC(=O)O)C(=O)O OR14327 [0,1,1,0,0,0|2,0,0]=4 126 B9R0.53 CC(CC(=O)O)CC(=O)O OR30156 [0,1,1,0,0,0|1,0,0]=3 127 B9R0.53 CN(CC(=O)O)CC(=O)O OR51834 [0,1,1,0,0,0|2,0,0]=4 128 B9R0.56 NS(=O)(=O)CCCC(=O)O OR10407 [0,1,1,0,0,0|1,0,0]=3 129 B9R1.11 COC(=O)C1CC=CC1 OR60201 [1,1,0,0,0,0|1,0,1]=4 130 B9R1.11 COC(=O)C1NCCS1 OR8944 [1,1,0,0,0,0|1,0,1]=4 131 B9R1.11 COC(=O)[C@@H]1CCCN1 OR11387 [1,1,0,0,0,0|0,0,1]=3 132 B9R1.11 COC(=O)[C@H]1CCCN1 OR18616 [1,1,0,0,0,0|0,0,1]=3 133 B9R1.41 NN1CCC[C@@H]1C(=O)O OR2800T [1,1,0,0,0,0|0,0,1]=3 134 B9R1.163 C[C@@]1(C(=O)O)CCCN1 OR8903 [1,1,0,0,0,0|0,0,1]=3 135 B9R1.163 N[C@]1(C(=O)O)CCNC1 OR15987 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.82 COC(=O)C1CC(=O)C1 OR308086 [0,1,0,0,1,0|1,0,0]=3 137 B9R1.152 CC1(C(=O)O)CC(=O)C1 OR317115 [0,1,0,0,1,0|1,0,0]=3 138 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N OR40628 [0,1,0,0,1,0|1,0,1]=4 139 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 OR301365 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.23 COC(=O)C1CCNC(=O)C1 OR301040 [0,1,0,0,0,1|1,0,0]=3 141 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 OR2410 [0,1,0,0,0,1|1,0,0]=3 142 B11R1.15 CCOC(=O)C1=CC(=O)CC1 OR70042 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 OR46133 [0,2,0,0,0,0|1,0,1]=4 144 B9R1.6 O=C(O)C1CC=CCC1 OR30377 [0,0,1,1,0,0|2,0,0]=4 145 B9R1.6 O=C(O)C1CCCCN1 OR6924 [0,0,1,1,0,0|1,0,1]=4 146 B9R1.6 O=C(O)[C@H]1CCCCN1 OR350111 [0,0,1,1,0,0|1,0,1]=4 147 B9R1.69 NC1CCC(=O)NC1=O OR20048 [0,0,1,1,0,0|1,0,0]=3 148 B9R1.69 O=C1CCC(Br)C(=O)N1 OR41150 [0,0,1,1,0,0|2,0,0]=4 149 B9R1.93 C=CC1CC1(N)C(=O)O OR16000 [0,0,1,1,0,0|1,0,0]=3 150 B9R1.66 O=C1CCCS(=O)(=O)N1 OR3458 [0,0,1,1,0,0|1,0,1]=4 151 B9R2.39 O=C1NC2C=CC1C2 OR22930 [1,0,0,1,0,0|1,0,0]=3 152 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 OR315003 [1,0,0,1,0,0|1,0,0]=3 153 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 OR315002 [1,0,0,1,0,0|1,0,0]=3 154 B7R0.16 CC(=O)C(Cl)C(C)=O OR47825 [0,0,1,0,1,0|2,0,0]=4 155 B7R0.16 CC(=O)C(Cl)C(N)=O OR51821 [0,0,1,0,1,0|2,0,0]=4 156 B7R1.10 O=C1CC(CO)C1 OR308103 [1,0,0,0,1,0|1,0,1]=4 157 B7R1.10 O=C1CC(CO)N1 OR51994 [1,0,0,0,1,0|0,0,1]=3 158 B7R1.18 O=C(Cl)C1CCC1 OR28716 [1,0,0,0,1,0|1,0,1]=4 159 B7R1.18 O=C(O)C1CCC1 OR8888 [1,0,0,0,1,0|0,0,1]=3 160 B7R1.18 O=C(O)C1CNC1 OR0961 [1,0,0,0,1,0|1,0,1]=4 161 B7R1.18 O=C(O)C1COC1 OR309073 [1,0,0,0,1,0|1,0,1]=4 162 B7R1.18 O=C(O)C1CSC1 OR312065 [1,0,0,0,1,0|1,0,1]=4 163 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [1,0,0,0,1,0|0,0,0]=2 164 B7R1.12 C[C@@H]1C[C@H]1C(=O)O OR303309 [0,0,0,0,2,0|1,0,1]=4 165 B7R1.12 C[C@H]1C[C@@H]1C(=O)O OR41152 [0,0,0,0,2,0|1,0,1]=4 166 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I OR302295 [0,0,0,0,2,0|1,0,1]=4 167 B9R0.55 CC(=O)CCCCC(=O)O OR5276 [0,0,1,0,0,1|1,0,0]=3 168 B9R0.55 O=C(O)\C=C\CCC(=O)O OR53046 [0,0,1,0,0,1|1,0,1]=4 169 B9R1.2 O=C1CCCC(CO)C1 OR40418 [1,0,0,0,0,1|1,0,1]=4 170 B9R1.13 O=C(O)CC1CCCC1 OR6624 [1,0,0,0,0,1|1,0,1]=4 171 B9R1.13 O=C(O)CC1CCNC1 OR70020 [1,0,0,0,0,1|2,0,0]=4 172 B11R1.157 O=C(O)CN1CCOC(=O)C1 OR13464 [0,0,0,0,0,2|2,0,0]=4