0 B7R0.4 CC(=O)OCCCO Y14698 [1,0,0,0,0,0|1,0,0]=2 1 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,1,0,0,0,0|2,0,0]=3 2 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,1,0,0|3,0,0]=4 3 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.35 O=C1CC[C@H](C(F)F)C1 W19610 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18079 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18843 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.66 CC1(C)CCC[C@H](N)C1 P19506 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.66 CC1(C)CCC[C@H](N)C1 P19507 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,0,0,1,0,0|3,0,0]=4 14 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|2,0,0]=4 15 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,0,0,1,0|1,0,1]=4 16 B10R0.113 CC(C)(O)CCOC(C)(C)C D93320 [0,2,0,0,0,0|1,0,1]=4 17 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [1,0,0,1,0,0|0,0,2]=4 18 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,1,0,0|1,0,0]=3 19 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [1,0,0,1,0,0|2,0,0]=4 20 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [1,0,0,1,0,0|2,0,0]=4 21 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,1,0,0|1,0,0]=3 23 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.22 C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.22 N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,0,1,1,0|1,0,0]=3 30 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,0,1,1,0|1,0,0]=3 31 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,0,0,1,1,0|2,0,0]=4 32 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,0,0,1,1,0|1,0,0]=3 33 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,1,1,0|2,0,0]=4 34 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,1,1,0|2,0,0]=4 35 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,1,1,0|2,0,0]=4 36 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,1,1,0|2,0,0]=4 37 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,0,1,1,0|1,0,0]=3 38 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,0,0,1,0,1|2,0,0]=4 40 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,0,0,1,0,1|2,0,0]=4 42 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,0,0,1,0,1|2,0,0]=4 43 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30667 [0,0,0,1,0,1|2,0,0]=4 44 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.14 COC(=O)C1CCC(Br)C1 P10074 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13550 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P20518 [0,1,0,1,0,0|2,0,0]=4 54 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,2,0,0|2,0,0]=4 55 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,0,0,2,0,0|2,0,0]=4 56 B10R2.315 O=C1CC2(C1)CC(O)C2 P21061 [0,0,0,2,0,0|2,0,0]=4 57 B10R2.365 O=C(O)CC12CC(C1)C2 P12605 [0,0,0,2,0,0|2,0,0]=4 58 B10R2.534 O=C1CC2(CCN1)CC2 87189 [0,0,0,2,0,0|1,0,0]=3 59 B10R2.534 O=C1CCCC2(CC2)C1 P17305 [0,0,0,2,0,0|1,0,0]=3 60 B10R2.358 O=C(O)[C@H]1CCC12CC2 P20291 [0,0,0,2,0,0|2,0,0]=4