0 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.3 COc1ccc(\C=C\C(=O)O)cc1 T5875 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [1,0,0,0,0,0|2,0,1]=4 7 B14R1.3653 COc1ccc(\C=C\C(=O)O)cc1O T2889 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.134 COc1ccc2ccc(=O)oc2c1 T7049 [0,0,0,1,0,0|2,0,1]=4 9 B12R1.4 COc1ccc(CC(=O)O)cc1 T5590 [0,0,0,0,1,0|1,0,0]=2 10 B11R1.1 COCCc1ccc(O)cc1 T0635 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.91 CC(=O)NCc1ccccc1 T5924 [2,0,0,0,0,0|1,0,0]=3 13 B11R1.91 CC(=O)OCc1ccccc1 T5615 [2,0,0,0,0,0|0,0,0]=2 14 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.91 O=C(O)CCc1ccccc1 T3731 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.83 C=CCc1ccc(OC)cc1 T5649 [2,0,0,0,0,0|0,0,1]=3 17 B11R1.83 C\C=C\c1ccc(OC)cc1 T0014 [2,0,0,0,0,0|0,0,1]=3 18 B11R1.83 C\C=C\c1ccc(OC)cc1 T0762 [2,0,0,0,0,0|0,0,1]=3 19 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 T3733 [1,1,0,0,0,0|1,0,1]=4 20 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [1,1,0,0,0,0|2,0,0]=4 21 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O TN1596 [1,1,0,0,0,0|2,0,0]=4 22 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O TN1545 [1,1,0,0,0,0|2,0,0]=4 23 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [1,1,0,0,0,0|2,0,0]=4 24 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 TQ0284 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.164 O=C(O)CCc1ccc(O)cc1O T3737 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.511 CC(=O)\C=C\c1ccc(O)c(O)c1 T5728 [1,1,0,0,0,0|1,0,1]=4 27 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 T0542 [0,1,0,0,1,0|1,0,0]=3 29 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 T0778 [0,1,0,0,1,0|1,0,0]=3 30 B15R1.793 CCOC(=O)\C=C\c1ccc(OC)cc1 T2S1625 [0,2,0,0,0,0|1,0,1]=4 31 B15R1.3779 COC(=O)\C=C\c1ccc(OC)c(O)c1 T4394 [0,2,0,0,0,0|1,0,1]=4 32 B15R1.499 CC(=O)CCc1ccc(OC(C)=O)cc1 T8226 [0,2,0,0,0,0|1,0,0]=3 33 B15R1.12854 COc1ccc(CCC(=O)O)cc1OC T1692 [0,2,0,0,0,0|2,0,0]=4 34 B13R2.155 O=C1CCc2ccc(O)cc2N1 T5887 [1,0,0,1,0,0|2,0,0]=4 35 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,0,0,0,1,0|1,0,0]=3 36 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,0,0,0,1,0|0,0,0]=2 37 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [1,0,0,0,1,0|1,0,0]=3 38 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [1,0,0,0,1,0|1,0,1]=4 39 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,0,0,0,2,0|1,0,0]=3 40 B13R1.643 COc1cccc(CCC(=O)O)c1 T5272 [0,0,0,0,1,1|2,0,0]=4