0 B9R0.39 CCC(NC(C)=O)C(=O)O 5036AL [0,0,0,0,0,0|1,0,0]=1 1 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Z5868 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.15 CCC(NC=O)C(=O)O 1472AA [1,0,0,0,0,0|1,0,0]=2 3 B8R0.23 CC(NC(N)=O)C(=O)O 3202AL [1,0,0,0,0,0|1,0,0]=2 4 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.23 NC(CC(=O)[O-])C(=O)O X5496 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 6072AH [1,0,0,0,0,0|3,0,0]=4 7 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7299AH [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O 7654AH [1,0,0,0,0,0|3,0,0]=4 9 B8R0.23 O=C(O)CC(Br)C(=O)O S343 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 O=C(O)CC(O)C(=O)O 8844AL [1,0,0,0,0,0|2,1,0]=4 11 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O 9468AE [0,1,0,0,0,0|1,0,0]=2 12 B10R0.53 CCC(NC(=O)CN)C(=O)O 8568AL [0,1,0,0,0,0|1,0,0]=2 13 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O 7022AH [0,1,0,0,0,0|0,1,0]=2 14 B10R1.30 O=C1CNC(=O)[C@H](CO)N1 Z5910 [0,0,0,1,0,0|1,1,0]=3 15 B10R1.113 CC1CCCC(C(=O)O)N1 W9881 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.113 O=C1CCCC(C(=O)O)C1 8202AA [0,0,0,1,0,0|2,0,0]=3 17 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 W5621 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 1176AC [0,0,0,1,0,0|1,0,0]=2 19 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O 8942AC [0,0,0,1,0,0|3,0,0]=4 20 B8R0.18 CCC(C(C)=O)C(=O)[O-] M209 [0,0,0,0,1,0|1,0,1]=3 21 B7R0.5 CC(NC=O)C(=O)O 6246AE [2,0,0,0,0,0|0,0,0]=2 22 B7R0.15 CCC(NC)C(N)=O 1348AD [2,0,0,0,0,0|2,0,0]=4 23 B7R0.15 CN[C@@H](CO)C(=O)O 0565AP [2,0,0,0,0,0|0,1,0]=3 24 B7R0.15 CN[C@@H](CO)C(=O)O Z5780 [2,0,0,0,0,0|0,1,0]=3 25 B7R0.6 C=C(C)CCC(=O)O 0114AA [2,0,0,0,0,0|2,0,0]=4 26 B7R0.6 CC(=O)CNC(C)=O 2096AC [2,0,0,0,0,0|1,0,0]=3 27 B9R0.23 C=C(NC(C)=O)C(=O)OC 4405AB [1,1,0,0,0,0|0,0,2]=4 28 B9R0.23 COC(=O)C(C)NC(C)=O 5482AL [1,1,0,0,0,0|0,0,0]=2 29 B9R0.23 COC(=O)[C@@H](C)NC(C)=O 0238AB [1,1,0,0,0,0|0,0,0]=2 30 B9R0.42 CC(NC(=O)CCl)C(=O)O 0697AD [1,1,0,0,0,0|0,0,0]=2 31 B9R0.42 CC(NC(=O)CN)C(=O)O 7315AF [1,1,0,0,0,0|0,0,0]=2 32 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Y1733 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.42 COC(=O)C[C@@H](N)C(=O)O V1600 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.42 C[C@H](NC(=O)CN)C(=O)O 7020AH [1,1,0,0,0,0|0,0,0]=2 35 B9R0.42 C[C@H](NC(=O)CN)C(N)=O 5011AD [1,1,0,0,0,0|1,0,0]=3 36 B11R0.115 CC[C@H](C)[C@@H](NC(C)=O)C(=O)O 7217AJ [0,2,0,0,0,0|1,0,0]=3 37 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O U876 [0,2,0,0,0,0|1,0,0]=3 38 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(N)=O 6094AH [0,2,0,0,0,0|2,0,0]=4 39 B11R0.115 COC(=O)[C@@H](NC(C)=O)C(C)C 7437AA [0,2,0,0,0,0|1,0,0]=3 40 B11R0.160 CCCC[C@@H](NC(C)=O)C(=O)O 6083AH [0,2,0,0,0,0|1,0,0]=3 41 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O V3570 [0,2,0,0,0,0|1,0,0]=3 42 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O V0869 [0,2,0,0,0,0|0,0,0]=2 43 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O 6102AH [0,2,0,0,0,0|1,0,0]=3 44 B11R0.236 CCCC(NC(=O)CCl)C(=O)O 6530AH [0,2,0,0,0,0|1,0,0]=3 45 B11R0.236 CCCC(NC(=O)CN)C(=O)O 7990AL [0,2,0,0,0,0|1,0,0]=3 46 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O 7023AH [0,2,0,0,0,0|0,1,0]=3 47 B11R0.108 C[C@@H](O)[C@H](NC(=O)CN)C(=O)O 7024AH [0,2,0,0,0,0|0,1,0]=3 48 B9R1.6 O=C(O)C1COCCN1 Z5972 [1,0,0,1,0,0|0,1,1]=4 49 B9R1.6 O=C(O)C1CSCCN1 W4390 [1,0,0,1,0,0|0,0,1]=3 50 B9R1.6 O=C(O)C1CSCCN1 Z5417 [1,0,0,1,0,0|0,0,1]=3 51 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.6 O=C(O)[C@@H]1COCCN1 Z3946 [1,0,0,1,0,0|0,1,1]=4 53 B9R1.6 O=C(O)[C@H]1COCCN1 X8815 [1,0,0,1,0,0|0,1,1]=4 54 B9R1.22 CCC1NC(=O)NC1=O 9537AJ [1,0,0,1,0,0|2,0,0]=4 55 B9R1.35 NC(=O)C1CCC(=O)N1 2959AL [1,0,0,1,0,0|2,0,0]=4 56 B9R1.35 O=C1CC(C(=O)O)CN1 1273AC [1,0,0,1,0,0|2,0,0]=4 57 B9R1.35 O=C1CCC(C(=O)O)C1 X3245 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.35 O=C1CCC(C(=O)O)O1 Y8251 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.69 C[C@@H]1NC(=O)CNC1=O Z5878 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.645 CC(=O)NC1CC(=O)OC1=O 5642AB [0,0,0,1,0,1|0,1,1]=4 61 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 9484AD [0,0,0,1,0,1|1,0,0]=3 62 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O H432 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.167 CC(C)C1NC(=O)CNC1=O 7352AA [0,1,0,1,0,0|2,0,0]=4 64 B7R0.16 CC(=O)N(C)C(C)=O Y3328 [1,0,0,0,1,0|2,0,0]=4 65 B7R0.16 CC(C)C(C)C(=O)O 6994AA [1,0,0,0,1,0|1,0,1]=4 66 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [1,0,0,0,1,0|2,0,0]=4 67 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [1,0,0,0,0,1|1,0,0]=3 68 B9R0.7 NC(=O)NC[C@H](N)C(=O)O 6126AH [1,0,0,0,0,1|2,0,0]=4