0 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.14 N=CC(=C)CCC1=CC=C(F)C=C1 DB08176 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O DB03839 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 DB07718 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.133 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB04713 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB03660 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.133 [C@H](N)(CC1=CC=C(O)C=C1)C(N)=O DB03380 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.133 [C@H](S)(CC1=CC=C(I)C=C1)C(=O)O DB02570 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.513 [P@@H](=O)([O-])CCOC1=CC=C(C)C=C1 DB07103 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [2,0,0,0,0,0|0,0,2]=4 20 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 DB13917 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.4 COC1=CC=C(CC(C)N)C=C1 DB01472 [0,1,0,0,1,0|1,0,1]=4 30 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,1,0,0,1,0|2,0,0]=4 36 B14R1.134 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)NO DB01980 [0,2,0,0,0,0|2,0,0]=4 37 B14R1.132 [C@@H](O)(C(=O)O)[C@@H](O)C1=CC=C(F)C=C1 DB06946 [0,2,0,0,0,0|2,0,0]=4 38 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O DB04436 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O DB01758 [0,2,0,0,0,0|2,0,0]=4 40 B12R2.24 IC1=CC2=C(C=C1)CCNC2 DB03824 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,0,0,0,2,0|2,0,0]=4 42 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,0,0,0,2,0|2,0,0]=4 43 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,0,0,0,2,0|2,0,0]=4 44 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,0,0,0,2,0|2,0,0]=4