0 B9R1.35 CN1CCC(C(=O)O)C1 18528 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 16558 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 NC1CCC(C(=O)O)C1 17674 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 15211 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 15487 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 15223 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 15488 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 11435 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 00185 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 29855 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 11436 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 05947 [0,0,0,0,0,0|0,0,0]=0 12 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 07214 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 05976 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 00620 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 O=C1CC[C@H](C(=O)O)N1 05374 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 CC(=O)C1CCNC1 26376 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 CC(C)C1CCCN1 23556 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 NC(=O)C1CCCN1 08464 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.7 NC(=O)[C@@H]1C=CCN1 07037 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 NC(=O)[C@@H]1CCCN1 01859 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.7 NC(=O)[C@@H]1CCCN1 06198 [1,0,0,0,0,0|1,0,0]=2 22 B8R1.7 NC(=O)[C@H]1CCCN1 04445 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 NC(=O)[C@H]1CCCN1 05999 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.7 O=C(O)C1C=CCN1 07036 [1,0,0,0,0,0|0,0,2]=3 25 B8R1.7 O=C(O)C1CCCN1 01318 [1,0,0,0,0,0|0,0,0]=1 26 B8R1.7 O=C(O)C1CCNC1 17812 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 O=C(O)[C@@H]1C=CCN1 02563 [1,0,0,0,0,0|0,0,2]=3 28 B8R1.7 O=C(O)[C@@H]1CCCN1 00256 [1,0,0,0,0,0|0,0,0]=1 29 B8R1.7 O=C(O)[C@@H]1CCCO1 30721 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.7 O=C(O)[C@@H]1CSCN1 02603 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.7 O=C(O)[C@H]1CCCN1 00355 [1,0,0,0,0,0|0,0,0]=1 32 B8R1.7 O=C(O)[C@H]1CCCO1 30720 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.7 O=C(O)[C@H]1CSCN1 05346 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 OB(O)C1CCCC1 28463 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 03083 [0,1,0,0,0,0|0,0,0]=1 36 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 20662 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 08408 [0,1,0,0,0,0|0,0,0]=1 38 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 26095 [0,1,0,0,0,0|0,0,0]=1 39 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 26102 [0,1,0,0,0,0|0,0,0]=1 40 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O 06338 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 16507 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.359 NC(=O)[C@H]1CC(F)(F)CN1 16589 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 29766 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 29768 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 29767 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.8 CCCCC(N)C(=O)O 02004 [0,0,1,0,0,0|3,0,0]=4 47 B8R0.8 CCCC[C@@H](N)C(=O)O 03404 [0,0,1,0,0,0|3,0,0]=4 48 B8R0.8 CCCC[C@H](N)C(=O)O 00353 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.8 NCCC[C@@H](N)C(=O)O 00237 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.8 NCCC[C@H](N)C(=O)O 00236 [0,0,1,0,0,0|3,0,0]=4 51 B8R0.9 NCC(=O)CCC(=O)O 01433 [0,0,1,0,0,0|0,0,2]=3 52 B8R0.9 NCC(=O)NCC(=O)O 00165 [0,0,1,0,0,0|1,0,2]=4 53 B8R0.15 CCC[C@H](NC)C(=O)O 09615 [0,0,1,0,0,0|1,0,0]=2 54 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O 16740 [0,0,1,0,0,0|1,0,2]=4 55 B8R0.23 C=C(Br)C[C@H](N)C(=O)O 16741 [0,0,1,0,0,0|1,0,2]=4 56 B8R0.23 C=C(C)C[C@H](N)C(=O)O 05807 [0,0,1,0,0,0|1,0,1]=3 57 B8R0.23 CC(C)CC(N)C(=O)O 00369 [0,0,1,0,0,0|1,0,0]=2 58 B8R0.23 CC(C)CC(N)C(N)=O 08455 [0,0,1,0,0,0|2,0,0]=3 59 B8R0.23 CC(C)C[C@@H](N)C(=O)O 00199 [0,0,1,0,0,0|1,0,0]=2 60 B8R0.23 CC(C)C[C@@H](N)C(N)=O 03088 [0,0,1,0,0,0|2,0,0]=3 61 B8R0.23 CC(C)C[C@@H](N)C(N)=O 08444 [0,0,1,0,0,0|2,0,0]=3 62 B8R0.23 CC(C)C[C@@H](O)C(=O)O 14809 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.23 CC(C)C[C@H](N)C(=O)O 00200 [0,0,1,0,0,0|1,0,0]=2 64 B8R0.23 CC(C)C[C@H](N)C(=O)O 29817 [0,0,1,0,0,0|1,0,0]=2 65 B8R0.23 CC(C)C[C@H](N)C(=O)O 33065 [0,0,1,0,0,0|1,0,0]=2 66 B8R0.23 CC(C)C[C@H](N)C(N)=O 03087 [0,0,1,0,0,0|2,0,0]=3 67 B8R0.23 CC(C)C[C@H](N)C(N)=O 08821 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.23 CC(C)C[C@H](O)C(=O)O 06277 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.23 NC(=O)CC(N)C(=O)O 21823 [0,0,1,0,0,0|1,0,2]=4 70 B8R0.23 NC(=O)C[C@@H](N)C(=O)O 00454 [0,0,1,0,0,0|1,0,2]=4 71 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00026 [0,0,1,0,0,0|1,0,2]=4 72 B8R0.23 NC(=O)C[C@H](N)C(=O)O 00464 [0,0,1,0,0,0|1,0,2]=4 73 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 04418 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 05944 [0,0,1,0,0,0|2,0,1]=4 75 B8R0.23 NC(CC(=O)O)C(=O)O 00626 [0,0,1,0,0,0|1,0,1]=3 76 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 00028 [0,0,1,0,0,0|1,0,1]=3 77 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] 00027 [0,0,1,0,0,0|1,0,2]=4 78 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 00794 [0,0,1,0,0,0|1,0,2]=4 79 B8R0.23 N[C@H](CC(=O)O)C(=O)O 00370 [0,0,1,0,0,0|1,0,1]=3 80 B8R0.23 O=C(O)CC(O)C(=O)O 21853 [0,0,1,0,0,0|2,0,1]=4 81 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 21933 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.23 O=C(O)C[C@H](O)C(=O)O 01183 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.28 O=C(O)CNCC(=O)O 06898 [0,0,1,0,0,0|1,0,1]=3 84 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 24166 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 24210 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.54 NC1CCN(CC(=O)O)C1 18264 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.54 O=C(O)CN1CCC(O)C1 19565 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 12759 [0,0,0,0,0,1|0,0,0]=1 89 B10R1.113 CN1CCNC(C(=O)O)C1 18074 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.113 CN1CCOC(C(=O)O)C1 19014 [0,0,0,0,0,1|3,0,0]=4 91 B7R0.4 CC(=O)NCCCN 23890 [1,0,1,0,0,0|2,0,0]=4 92 B7R0.4 CNCCCC(=O)O 06613 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.4 NCCCCC(=O)O 06917 [1,0,1,0,0,0|0,0,0]=2 94 B7R0.4 NCCCCC(=O)O 21636 [1,0,1,0,0,0|0,0,0]=2 95 B7R0.4 NCCNCC(=O)O 09646 [1,0,1,0,0,0|1,0,0]=3 96 B7R0.4 O=C(Cl)CCCCBr 27364 [1,0,1,0,0,0|2,0,0]=4 97 B7R0.4 O=C(O)CCCCBr 22022 [1,0,1,0,0,0|1,0,0]=3 98 B7R0.4 O=C(O)CCCCCl 26912 [1,0,1,0,0,0|1,0,0]=3 99 B7R0.5 C#CCC(N)C(=O)O 07081 [1,0,1,0,0,0|0,0,2]=4 100 B7R0.5 C#CCC(N)C(=O)O 32929 [1,0,1,0,0,0|0,0,2]=4 101 B7R0.5 C#CC[C@@H](N)C(=O)O 05998 [1,0,1,0,0,0|0,0,2]=4 102 B7R0.5 C#CC[C@H](N)C(=O)O 02726 [1,0,1,0,0,0|0,0,2]=4 103 B7R0.5 C#CC[C@H](N)C(=O)O 14298 [1,0,1,0,0,0|0,0,2]=4 104 B7R0.5 C=CCC(N)C(=O)O 14328 [1,0,1,0,0,0|0,0,2]=4 105 B7R0.5 C=CC[C@@H](N)C(=O)O 07440 [1,0,1,0,0,0|0,0,2]=4 106 B7R0.5 C=CC[C@H](N)C(=O)O 07441 [1,0,1,0,0,0|0,0,2]=4 107 B7R0.5 CCCC(N)C(=O)O 06818 [1,0,1,0,0,0|0,0,0]=2 108 B7R0.5 CCC[C@@H](N)C(=O)O 03406 [1,0,1,0,0,0|0,0,0]=2 109 B7R0.5 CCC[C@H](N)C(=O)O 02041 [1,0,1,0,0,0|0,0,0]=2 110 B7R0.5 CCC[C@H](N)C(N)=O 06143 [1,0,1,0,0,0|1,0,0]=3 111 B7R0.5 C[C@H](NC=O)C(=O)O 04404 [1,0,1,0,0,0|0,0,2]=4 112 B7R0.5 N#CC[C@H](N)C(=O)O 03323 [1,0,1,0,0,0|1,0,1]=4 113 B7R0.5 NC(CCO)C(=O)O 01898 [1,0,1,0,0,0|0,0,0]=2 114 B7R0.5 NCCC(N)C(=O)O 21652 [1,0,1,0,0,0|1,0,0]=3 115 B7R0.5 NCCC(O)C(=O)O 23190 [1,0,1,0,0,0|2,0,0]=4 116 B7R0.5 NCC[C@@H](N)C(=O)O 05122 [1,0,1,0,0,0|1,0,0]=3 117 B7R0.5 NCC[C@H](N)C(=O)O 05121 [1,0,1,0,0,0|1,0,0]=3 118 B7R0.5 NCC[C@H](N)C(=O)O 14253 [1,0,1,0,0,0|1,0,0]=3 119 B7R0.5 NCC[C@H](O)C(=O)O 30407 [1,0,1,0,0,0|2,0,0]=4 120 B7R0.5 N[C@@H](CCO)C(=O)O 02051 [1,0,1,0,0,0|0,0,0]=2 121 B7R0.5 N[C@@H](CCS)C(=O)O 21338 [1,0,1,0,0,0|0,1,0]=3 122 B7R0.5 N[C@H](CCO)C(=O)O 04449 [1,0,1,0,0,0|0,0,0]=2 123 B7R0.6 O=C(O)CCC(=O)O 01465 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.6 O=C(O)CCC(=O)O 30165 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.15 CN[C@@H](CO)C(=O)O 06357 [1,0,1,0,0,0|0,0,0]=2 126 B7R0.2 CC(C)C[C@@H](N)CO 03195 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.2 CC(C)C[C@H](N)CO 03194 [1,0,1,0,0,0|1,0,1]=4 128 B7R1.1 OC[C@@H]1CCCN1 03214 [2,0,0,0,0,0|0,0,1]=3 129 B7R1.1 OC[C@H]1CCCN1 03215 [2,0,0,0,0,0|0,0,1]=3 130 B9R0.13 CCCC[C@H](NC)C(=O)O 09614 [0,1,1,0,0,0|2,0,0]=4 131 B9R0.42 C[C@H](NC(=O)CN)C(=O)O 03354 [0,1,1,0,0,0|1,0,1]=4 132 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O 12758 [0,1,1,0,0,0|2,0,0]=4 133 B9R0.24 COC(=O)CCC(=O)CN 21778 [0,1,1,0,0,0|0,0,2]=4 134 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O 02654 [0,1,1,0,0,0|1,0,0]=3 135 B9R0.39 CNC(CC(=O)O)C(=O)O 12425 [0,1,1,0,0,0|0,0,1]=3 136 B9R0.39 CNC(CC(C)C)C(=O)O 06343 [0,1,1,0,0,0|1,0,0]=3 137 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O 06337 [0,1,1,0,0,0|0,0,1]=3 138 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 02658 [0,1,1,0,0,0|1,0,0]=3 139 B9R0.39 CN[C@H](CC(=O)O)C(=O)O 06339 [0,1,1,0,0,0|0,0,1]=3 140 B9R0.11 CC(C)CC(C)(N)C(=O)O 05774 [0,1,1,0,0,0|1,0,0]=3 141 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 14891 [0,1,1,0,0,0|1,0,0]=3 142 B9R0.57 CC(C)(C)CC(N)C(=O)O 06236 [0,1,1,0,0,0|1,0,0]=3 143 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 06235 [0,1,1,0,0,0|1,0,0]=3 144 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 06234 [0,1,1,0,0,0|1,0,0]=3 145 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 21698 [0,1,1,0,0,0|2,0,0]=4 146 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 31962 [0,1,1,0,0,0|2,0,0]=4 147 B9R0.53 CC(C)C[C@H](N)CC(=O)O 12757 [0,1,1,0,0,0|2,0,0]=4 148 B9R1.132 OC[C@H]1OC[C@H](O)[C@H]1O 32420 [1,1,0,0,0,0|1,0,1]=4 149 B9R1.11 CNC(=O)[C@@H]1CCCN1 04442 [1,1,0,0,0,0|1,0,0]=3 150 B9R1.11 COC(=O)C1CCCN1 08465 [1,1,0,0,0,0|0,0,0]=2 151 B9R1.11 COC(=O)C1CCNC1 17798 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.11 COC(=O)[C@@H]1C=CCN1 02564 [1,1,0,0,0,0|0,0,2]=4 153 B9R1.11 COC(=O)[C@@H]1CCCN1 03130 [1,1,0,0,0,0|0,0,0]=2 154 B9R1.11 COC(=O)[C@H]1CCCN1 03131 [1,1,0,0,0,0|0,0,0]=2 155 B9R1.11 NNC(=O)C1CCCO1 19511 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.41 CN1CCC[C@H]1C(=O)O 06356 [1,1,0,0,0,0|0,0,0]=2 157 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 15094 [1,1,0,0,0,0|0,0,0]=2 158 B9R1.163 CC1(C(=O)O)CCCN1 05781 [1,1,0,0,0,0|0,0,0]=2 159 B9R1.163 C[C@@]1(C(=O)O)CCCN1 08219 [1,1,0,0,0,0|0,0,0]=2 160 B9R1.163 C[C@]1(C(=O)O)CCCN1 14286 [1,1,0,0,0,0|0,0,0]=2 161 B9R1.163 NC1(C(=O)O)CCCC1 03534 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.163 NC1(C(=O)O)CCSC1 18021 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 06911 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 26434 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 26435 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 26433 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 06693 [0,2,0,0,0,0|0,0,0]=2 168 B11R1.866 COC(=O)[C@H]1CC(F)(F)CN1 29765 [0,2,0,0,0,0|1,0,0]=3 169 B11R1.124 C#CC[C@H]1CN[C@H](C(=O)O)C1 15979 [0,2,0,0,0,0|1,0,0]=3 170 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 15977 [0,2,0,0,0,0|1,0,0]=3 171 B11R1.124 [N-]=[N+]=N[C@@H]1CN[C@H](C(=O)O)C1 30465 [0,2,0,0,0,0|1,0,0]=3 172 B9R1.6 CC(=O)C1CCCCN1 18531 [0,0,1,1,0,0|2,0,0]=4 173 B9R1.6 O=C(O)C1CCCCC1 21907 [0,0,1,1,0,0|2,0,0]=4 174 B9R1.6 O=C(O)C1CCCCN1 07064 [0,0,1,1,0,0|1,0,0]=3 175 B9R1.6 O=C(O)C1CCCNC1 06902 [0,0,1,1,0,0|2,0,0]=4 176 B9R1.6 O=C(O)C1CCCOC1 20871 [0,0,1,1,0,0|1,0,0]=3 177 B9R1.6 O=C(O)C1CNCCN1 14029 [0,0,1,1,0,0|1,0,0]=3 178 B9R1.6 O=C(O)C1CNCCO1 07172 [0,0,1,1,0,0|2,0,0]=4 179 B9R1.6 O=C(O)C1COCCN1 17537 [0,0,1,1,0,0|0,0,0]=2 180 B9R1.6 O=C(O)C1CSCCN1 17381 [0,0,1,1,0,0|0,1,0]=3 181 B9R1.6 O=C(O)[C@@H]1CCCCN1 03414 [0,0,1,1,0,0|1,0,0]=3 182 B9R1.6 O=C(O)[C@@H]1CCCNC1 28509 [0,0,1,1,0,0|2,0,0]=4 183 B9R1.6 O=C(O)[C@@H]1COCCN1 17394 [0,0,1,1,0,0|0,0,0]=2 184 B9R1.6 O=C(O)[C@@H]1CSCCN1 17852 [0,0,1,1,0,0|0,1,0]=3 185 B9R1.6 O=C(O)[C@H]1CCCCN1 05974 [0,0,1,1,0,0|1,0,0]=3 186 B9R1.6 O=C(O)[C@H]1CCCNC1 28510 [0,0,1,1,0,0|2,0,0]=4 187 B9R1.6 O=C(O)[C@H]1COCCN1 18333 [0,0,1,1,0,0|0,0,0]=2 188 B9R1.6 O=C(O)[C@H]1COCCN1 19638 [0,0,1,1,0,0|0,0,0]=2 189 B7R0.16 CC(C)C(N)C(=O)O 00627 [0,0,1,0,1,0|1,0,0]=3 190 B7R0.16 CC(C)[C@@H](N)C(=O)O 00316 [0,0,1,0,1,0|1,0,0]=3 191 B7R0.16 CC(C)[C@@H](N)C(N)=O 04459 [0,0,1,0,1,0|2,0,0]=4 192 B7R0.16 CC(C)[C@@H](O)C(=O)O 05646 [0,0,1,0,1,0|2,0,0]=4 193 B7R0.16 CC(C)[C@H](N)C(=O)O 00317 [0,0,1,0,1,0|1,0,0]=3 194 B7R0.16 CC(C)[C@H](N)C(N)=O 03166 [0,0,1,0,1,0|2,0,0]=4 195 B7R0.16 CC(C)[C@H](N)C(N)=O 06265 [0,0,1,0,1,0|2,0,0]=4 196 B7R0.16 CC(C)[C@H](O)C(=O)O 06278 [0,0,1,0,1,0|2,0,0]=4 197 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 05936 [0,0,1,0,1,0|0,0,0]=2 198 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 06032 [0,0,1,0,1,0|0,0,0]=2 199 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 00282 [0,0,1,0,1,0|0,0,0]=2 200 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 03143 [0,0,1,0,1,0|1,0,0]=3 201 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00368 [0,0,1,0,1,0|0,0,0]=2 202 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 00724 [0,0,1,0,1,0|0,0,0]=2 203 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 05846 [0,0,1,0,1,0|0,0,0]=2 204 B7R1.18 NC(=O)C1CCN1 19289 [1,0,0,0,1,0|1,0,0]=3 205 B7R1.18 O=C(O)C1CCN1 17777 [1,0,0,0,1,0|0,0,0]=2 206 B7R1.18 O=C(O)C1CNC1 07009 [1,0,0,0,1,0|1,0,0]=3 207 B7R1.18 O=C(O)C1COC1 31471 [1,0,0,0,1,0|1,0,0]=3 208 B7R1.18 O=C(O)[C@@H]1CCN1 04462 [1,0,0,0,1,0|0,0,0]=2 209 B9R1.13 O=C(O)C[C@@H]1CCCN1 12754 [1,0,0,0,0,1|0,0,0]=2 210 B9R1.13 O=C(O)C[C@H]1CCCN1 16865 [1,0,0,0,0,1|0,0,0]=2