0 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,0,0,0,0,0|0,0,2]=3 2 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.91 O=C(O)CCc1ccccc1 T3731 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 T3733 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.42 CCOC(=O)\C=C\c1ccccc1 TN1624 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.42 O=C(CCCl)NCc1ccccc1 T1249 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 T22398 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,0]=2 14 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,0]=2 15 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [2,0,0,0,0,0|0,0,1]=3 16 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|0,0,2]=4 17 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|0,0,2]=4 18 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [1,1,0,0,0,0|0,0,0]=2 20 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [1,1,0,0,0,0|0,0,2]=4 21 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [1,1,0,0,0,0|0,0,1]=3 24 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.125 O=C(O)CCc1ccccc1O T4892 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.125 O=C(O)\C=C\c1ccccc1O T7991 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,1,0|0,0,1]=3 33 B14R1.833 COC(=O)\C=C\c1ccc(O)c(O)c1 TN1926 [0,2,0,0,0,0|0,0,0]=2 34 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 T0413 [0,2,0,0,0,0|1,0,0]=3 35 B14R1.820 COC(=O)\C=C\C1=CC(O)=CC=C1O T22974 [0,2,0,0,0,0|0,0,0]=2 36 B14R1.156 O=C(NCC1=CC=CC=C1)OCCO T8588 [0,2,0,0,0,0|1,0,1]=4 37 B12R2.1081 Fc1cccc2ccccc12 T0541 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 T10023 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|0,0,2]=4 40 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|0,0,2]=4 41 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,0,0,1,0,0|0,0,0]=2 42 B12R2.24 Oc1ccc2ccccc2c1 T0671 [1,0,0,1,0,0|1,0,0]=3 43 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,0,0,1,1,0|2,0,0]=4 44 B14R2.95 O=C(CCl)C1=CNC2=CC=CC=C21 T14034 [0,0,0,1,0,1|2,0,0]=4 45 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 T16239 [0,1,0,1,0,0|2,0,0]=4 46 B14R2.134 COc1ccc2ccc(=O)oc2c1 T7049 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.2332 COc1ccc2cc(Br)ccc2c1 T0663 [0,1,0,1,0,0|1,0,0]=3 48 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|1,0,0]=3 49 B10R1.18 O=C(O)Cc1cccnc1 T1366 [1,0,0,0,1,0|1,0,1]=4 50 B10R1.66 O=C(O)\C=C/C1=CN=CN1 T10824 [1,0,0,0,1,0|2,0,0]=4 51 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,2,0|1,0,1]=4 52 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,2,0|2,0,0]=4 53 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,2,0|1,0,0]=3