0 B12R1.16 CC1=CC=C(N(C)CCO)C=C1 OR55034 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 OR8798 [1,0,0,0,0,0|1,0,2]=4 2 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 OR4793 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 OR43666 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 OR13218 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 OR310337 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.1 CCCCC1=CC=C(Br)C=C1 OR1467 [2,0,0,0,0,0|2,0,0]=4 7 B11R1.1 CCCCC1=CC=C(Cl)C=C1 OR3170 [2,0,0,0,0,0|2,0,0]=4 8 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [2,0,0,0,0,0|2,0,0]=4 9 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 OR1591 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.1 OCCCC1=CC=C(Br)C=C1 OR311243 [2,0,0,0,0,0|1,0,0]=3 11 B11R1.1 OCCCC1=CC=C(Cl)C=C1 OR0287 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.1 OCCSC1=CC=C(Cl)C=C1 OR15484 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.16 N#CCC(O)C1=CC=CC=C1 OR2846 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.16 NC(CCO)C1=CC=CC=C1 OR43504 [2,0,0,0,0,0|1,0,0]=3 15 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 OR24573 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 OR15300 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 OR9825 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 OR3204 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 OR10955 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.40 NCC(O)CC1=CC=CC=C1 OR12967 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 OR8744 [2,0,0,0,0,0|0,0,0]=2 25 B13R1.1511 NC(CCO)C1=C(Cl)C=C(Cl)C=C1 OR307627 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 OR52324 [1,1,0,0,0,0|0,0,1]=3 27 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 OR303315 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 OR14704 [1,1,0,0,0,0|1,0,1]=4 29 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14703 [1,1,0,0,0,0|1,0,1]=4 30 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14730 [1,1,0,0,0,0|0,0,1]=3 31 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O OR14695 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O OR14691 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O OR9515 [1,1,0,0,0,0|1,0,1]=4 34 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O OR14696 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O OR14692 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O OR14729 [1,1,0,0,0,0|1,0,1]=4 37 B15R1.6 COC1=CC=C(C(O)C(N)C(=O)O)C=C1 OR13802 [0,2,0,0,0,0|1,0,1]=4 38 B15R1.1333 O=[N+]([O-])C1=CC=C(C(O)C(O)CO)C=C1 OR22490 [0,2,0,0,0,0|1,0,1]=4 39 B13R2.12 NC1=CC=C(C2OCCO2)C=C1 OR111317 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.45 N[C@H]1C2=C(C=CC=C2)C[C@H]1CO OR307619 [1,0,0,1,0,0|2,0,0]=4