0 B9R0.47 C=CCCC[C@H](N)C(=O)O X6419 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.47 C=CCSC[C@H](N)C(=O)O 8961AB [0,0,0,0,0,0|0,0,0]=0 2 B9R0.47 CCSCC[C@H](N)C(=O)O G582 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 C=CCCCCB(O)O N890 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 C=CCOCCC(=O)O 7716AD [1,0,0,0,0,0|0,1,0]=2 5 B8R0.8 C=CCSC(C)C(=O)O 5401AE [1,0,0,0,0,0|1,0,0]=2 6 B8R0.8 CCCCC(N)C(N)=O 6641AH [1,0,0,0,0,0|1,0,2]=4 7 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [1,0,0,0,0,0|1,0,2]=4 8 B8R0.8 C[Se]CC[C@H](N)C(=O)O M598 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.8 NOCC[C@@H](N)C(=O)O 5415AA [1,0,0,0,0,0|2,0,0]=3 10 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O 9056AF [0,1,0,0,0,0|0,0,1]=2 11 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O V9760 [0,1,0,0,0,0|0,0,1]=2 12 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.82 NCC(O)CCC(N)C(=O)O 4932AH [0,1,0,0,0,0|2,0,1]=4 14 B10R0.83 COC(=O)[C@H](N)CCCCN 9780AA [0,1,0,0,0,0|2,0,1]=4 15 B10R0.86 CN[C@@H](CCCCN)C(=O)O Z5963 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,0,0,1,0,0|1,0,2]=4 17 B10R1.23 NC(C(=O)O)C1=COC=C1 X3278 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,0,0,1,0,0|0,0,2]=3 19 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 3488AA [0,0,0,1,0,0|1,0,2]=4 20 B10R1.204 N[C@H](CC1CCC1)C(=O)O 9009AA [0,0,0,1,0,0|1,0,2]=4 21 B10R0.6 CCCCCC(N)CC(=O)O 1081AA [0,0,0,0,0,1|1,0,2]=4 22 B10R0.6 NCCCC[C@H](N)CC(=O)O Z5705 [0,0,0,0,0,1|2,0,1]=4 23 B7R0.1 C=CCCCCCO 6859AL [2,0,0,0,0,0|1,0,1]=4 24 B7R0.4 C=CCCOC(C)=O 3121AL [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 CCCSCC(=O)O 6980AD [2,0,0,0,0,0|0,0,2]=4 26 B7R0.4 CNCCCC(=O)O 2115AA [2,0,0,0,0,0|1,0,1]=4 27 B7R0.4 N#CCCCC(=O)O W5958 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.5 C=CCC(N)C(=O)O 7090AA [2,0,0,0,0,0|0,0,0]=2 29 B7R0.5 CCSC(C)C(=O)O 6924AD [2,0,0,0,0,0|1,0,1]=4 30 B7R0.5 COCC(Cl)C(=O)O 2065AB [2,0,0,0,0,0|1,1,0]=4 31 B7R0.5 CSC[C@H](N)C(=O)O 2067AC [2,0,0,0,0,0|0,0,0]=2 32 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.5 NC(CCBr)C(=O)O 1883AC [2,0,0,0,0,0|1,0,0]=3 34 B7R0.5 NC(CCBr)C(=O)O E114 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.5 NCCC(N)C(=O)O W7673 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 N[C@H](CCS)C(=O)O 8982AB [2,0,0,0,0,0|1,0,0]=3 40 B9R0.2 C=CCCCCCC(=O)O 6293AD [1,1,0,0,0,0|1,0,0]=3 41 B9R0.2 C=CCCCCOC(C)=O 6779AL [1,1,0,0,0,0|2,0,0]=4 42 B9R0.2 CCCCSCCC(=O)O 7495AD [1,1,0,0,0,0|0,0,2]=4 43 B9R0.55 O=C(O)CSSCC(=O)O 7220AF [1,1,0,0,0,0|2,0,0]=4 44 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O 7119AH [1,1,0,0,0,0|0,1,1]=4 45 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O K790 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [1,1,0,0,0,0|0,0,2]=4 47 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 4199AL [1,1,0,0,0,0|2,0,0]=4 48 B9R0.7 C[S+](C)CCC(N)C(=O)O 7555AF [1,1,0,0,0,0|1,0,1]=4 49 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O 7104AH [1,1,0,0,0,0|2,0,0]=4 50 B9R0.7 NC(=O)[C@H](N)CCC(=O)O V4088 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] 1871AB [1,1,0,0,0,0|1,0,1]=4 52 B11R0.29 CC(=O)NCSC[C@@H](N)C(=O)O 7099AH [0,2,0,0,0,0|0,0,1]=3 53 B11R0.29 CC(C)CCSC[C@H](N)C(=O)O Q385 [0,2,0,0,0,0|0,0,2]=4 54 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O F781 [0,2,0,0,0,0|2,0,0]=4 55 B11R0.42 C=CCCCCC[C@H](N)C(=O)O 5617AC [0,2,0,0,0,0|1,0,0]=3 56 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O 7782AF [0,2,0,0,0,0|1,0,1]=4 57 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.6 O=C(O)C1CCCSC1 W3499 [1,0,0,1,0,0|0,0,2]=4 59 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [1,0,0,1,0,0|1,0,1]=4 60 B9R1.41 CN1CSCC1C(=O)O 6486AE [1,0,0,1,0,0|1,0,1]=4 61 B9R1.41 O=C(O)C1CSCC1=O 3411AD [1,0,0,1,0,0|1,0,0]=3 62 B9R1.35 CC1NC(C(=O)O)CS1 2967AE [1,0,0,1,0,0|0,0,1]=3 63 B9R1.69 NC1CCC(=O)NC1=O 1594AB [1,0,0,1,0,0|2,0,0]=4 64 B9R1.69 N[C@H]1CCC(=O)NC1=O 9164AH [1,0,0,1,0,0|2,0,0]=4 65 B9R1.110 NC(C(=O)O)C1CCC1 X5232 [1,0,0,1,0,0|0,0,2]=4 66 B9R1.110 N[C@@H](C(=O)O)C1CCC1 X5301 [1,0,0,1,0,0|0,0,2]=4 67 B9R1.163 NC1(C(=O)O)CCNC1 Z2697 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.163 NC1(C(=O)O)CCSC1 2158AJ [1,0,0,1,0,0|0,0,1]=3 69 B9R1.163 NC1(C(=O)O)CCSC1 5291AH [1,0,0,1,0,0|0,0,1]=3 70 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 5899AA [0,0,0,1,0,1|0,0,2]=4 71 B11R1.35 NC(CC1=COC=C1)C(=O)O 4688AB [0,1,0,1,0,0|1,0,1]=4 72 B11R1.35 NC(CC1=CSC=C1)C(=O)O 4687AB [0,1,0,1,0,0|1,0,1]=4 73 B11R1.35 NC(CC1=NC=CS1)C(=O)O 0260AA [0,1,0,1,0,0|1,0,1]=4 74 B11R1.35 NC(CN1C=CC=N1)C(=O)O 1495AJ [0,1,0,1,0,0|1,0,1]=4 75 B11R1.35 NC(CN1C=NC=N1)C(=O)O 2383AA [0,1,0,1,0,0|2,0,0]=4 76 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q849 [0,1,0,1,0,0|0,1,1]=4 77 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q870 [0,1,0,1,0,0|0,1,1]=4 78 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O Q850 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 3479AL [0,1,0,1,0,0|1,0,1]=4 80 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 7655AA [0,1,0,1,0,0|1,0,1]=4 81 B11R1.89 CC1=C(C(N)C(=O)O)SC=C1 6807AB [0,1,0,1,0,0|0,0,2]=4 82 B11R1.314 CC1=CC=C(C(N)C(=O)O)S1 4881AC [0,1,0,1,0,0|0,0,2]=4