0 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M15427 [0,0,1,0,0,0|0,0,2]=3 1 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M15568 [0,0,1,0,0,0|0,0,2]=3 2 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,0,1,0,0,0|1,0,1]=3 3 B12R1.43 O=C(O)C(O)Cc1ccccc1 M19335 [0,0,1,0,0,0|1,0,2]=4 4 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 M20030 [0,0,1,0,0,0|1,0,2]=4 5 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 M19976 [0,0,1,0,0,0|1,0,2]=4 6 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [0,0,1,0,0,0|1,0,2]=4 7 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O M28293 [0,0,1,0,0,0|0,0,2]=3 8 B12R1.125 O=C(O)CCc1ccccc1O M19688 [0,0,1,0,0,0|1,0,2]=4 9 B12R1.125 O=C(O)\C=C\c1ccccc1O M21301 [0,0,1,0,0,0|1,0,0]=2 10 B14R2.781 CC(=O)c1ccc2ccccc2c1 M27296 [0,0,0,0,0,1|2,0,0]=3 11 B14R2.781 O=C(O)c1ccc2ccccc2n1 M19672 [0,0,0,0,0,1|0,0,1]=2 12 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [1,0,1,0,0,0|2,0,0]=4 13 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,0,1,0,0,0|1,0,0]=3 14 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [1,0,1,0,0,0|1,0,0]=3 15 B11R1.91 O=C(O)CCc1ccccc1 M18665 [1,0,1,0,0,0|0,0,2]=4 16 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [1,0,1,0,0,0|0,0,0]=2 17 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [1,0,1,0,0,0|0,0,0]=2 18 B11R2.10 O=C1Cc2ccccc2N1 M22658 [2,0,0,0,0,0|0,0,1]=3 19 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [2,0,0,0,0,0|1,0,0]=3 20 B11R2.10 S=C1NC2=CC=CC=C2S1 M23643 [2,0,0,0,0,0|1,1,0]=4 21 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O M15837 [0,1,1,0,0,0|0,0,2]=4 22 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M15242 [0,1,1,0,0,0|0,0,2]=4 23 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M23631 [0,1,1,0,0,0|0,0,2]=4 24 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(=O)O M28352 [0,1,1,0,0,0|0,0,2]=4 25 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O M29133 [0,1,1,0,0,0|0,0,2]=4 26 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O M23404 [0,1,1,0,0,0|0,0,2]=4 27 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O M22478 [0,1,1,0,0,0|0,0,2]=4 28 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 M19693 [0,1,1,0,0,0|1,0,1]=4 29 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 M12710 [0,1,1,0,0,0|1,0,0]=3 30 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(=O)O M27192 [0,1,1,0,0,0|0,0,2]=4 31 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O M13685 [0,1,1,0,0,0|0,0,2]=4 32 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O M17731 [0,1,1,0,0,0|1,0,0]=3 33 B15R2.1569 COC(=O)NC1=NC2=CC=CC=C2N1 M10269 [0,1,0,0,0,1|1,0,0]=3 34 B15R2.627 O=C(O)c1ccc2ccccc2c1O M19667 [0,1,0,0,0,1|1,0,0]=3 35 B15R2.984 CC(=O)c1cc2ccccc2oc1=O M22649 [0,1,0,0,0,1|2,0,0]=4 36 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O M18749 [0,1,0,0,0,1|1,0,0]=3 37 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2N1 M18648 [0,1,0,0,0,1|0,0,0]=2 38 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 M14654 [0,1,0,0,0,1|1,0,0]=3 39 B15R2.61353 O=C(O)c1ccc2cccc(O)c2n1 M27330 [0,1,0,0,0,1|0,0,1]=3 40 B15R2.14758 O=C(O)c1sc2cc(Cl)ccc2c1Cl M22491 [0,2,0,0,0,0|1,0,0]=3 41 B13R2.369 Nc1cc2ccccc2cc1N M24775 [0,0,1,1,0,0|2,0,0]=4 42 B13R2.369 O=C1Oc2ccccc2C=C1O M21324 [0,0,1,1,0,0|1,0,0]=3 43 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [0,0,1,0,1,0|0,0,0]=2 44 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,0,1,0,1,0|2,0,0]=4 45 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,0,1,0,1,0|0,0,1]=3 46 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,0,1,0,1,0|1,0,0]=3 47 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,0,1,0,1,0|1,0,1]=4 48 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,0,1,0,1,0|1,0,1]=4 49 B11R1.86 O=C(O)Cc1ccccc1O M20039 [0,0,1,0,1,0|1,0,1]=4 50 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2N1 M13663 [0,0,0,0,0,2|1,0,0]=3