0 B12R1.252 O=C(O)CCCc1ccccc1 T5886 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 O=C([O-])CCCc1ccccc1 T1535 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 T22398 [0,0,0,1,0,0|3,0,0]=4 3 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,1,0|0,0,0]=1 4 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,1,0|1,0,0]=2 5 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,1,0|0,0,0]=1 6 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,1,0|0,0,2]=3 7 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,0,0,0,1,0|1,0,0]=2 8 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,1,0|1,0,2]=4 9 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,0,0,0,1,0|1,0,2]=4 10 B11R1.172 CC(=O)NCCC1=CN=CN1 T19443 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.172 CC(C)=CCCc1ccoc1 T3S2381 [0,0,0,0,1,0|3,0,0]=4 12 B13R1.337 CC(=O)OC\C=C\c1ccccc1 T5653 [0,0,0,0,0,1|0,0,1]=2 13 B13R1.337 O=C(O)CCCCc1ccccc1 T7458 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|2,0,0]=4 16 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [2,0,0,0,0,0|0,0,2]=4 19 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [2,0,0,0,0,0|0,0,2]=4 20 B10R1.17 OCCCC1=CC=CC=C1 T3754 [2,0,0,0,0,0|0,0,2]=4 21 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,1,0|0,0,0]=2 23 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,1,0,0,1,0|2,0,0]=4 24 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,1,0|1,0,0]=3 26 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,1,0|1,0,1]=4 29 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [0,1,0,0,1,0|1,0,1]=4 33 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [0,1,0,0,1,0|1,0,0]=3 35 B14R1.423 NC(=O)OC[C@H](N)Cc1ccccc1 T7583 [0,1,0,0,0,1|1,0,0]=3 36 B14R1.687 CC(=O)OCCc1ccc(O)c(O)c1 T8168 [0,2,0,0,0,0|0,0,0]=2 37 B14R1.520 O=C(CCCl)NCCc1ccccc1 T8604 [0,2,0,0,0,0|1,0,0]=3 38 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,1,0|0,0,0]=2 39 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,1,0|1,0,0]=3 40 B14R2.4514 CN1C(=O)CC[C@H]1c2cccnc2 T1202 [0,1,0,1,0,0|2,0,0]=4 41 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,2,0|0,0,0]=2 42 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,0,0,0,2,0|2,0,0]=4 43 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,2,0|1,0,0]=3