0 B9R1.6 C[C@H](O)c1ccccc1 1445-91-6 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 NC(=O)C1=CN=CC=C1 98-92-0 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 O=C(O)C1=CC=CC=N1 98-98-6 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 O=C(O)c1ccccc1 65-85-0 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 O=C(O)c1cccnc1 59-67-6 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.2 NCC1=CC=CC=C1 100-46-9 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.2 O=CC1=CC=CC=C1 100-52-7 [1,0,0,0,0,0|0,0,0]=1 7 B8R1.2 OCC1=CC=CC=C1 100-51-6 [1,0,0,0,0,0|0,0,1]=2 8 B10R1.13 CN(C)c1ccc(N)cc1 99-98-9 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.13 Nc1ccc(C(=O)O)cc1 150-13-0 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.13 O=C(O)C1=CC=C(O)C=C1 99-96-7 [0,1,0,0,0,0|0,0,0]=1 11 B10R1.13 O=C(O)C1=CN=C(O)C=C1 5006-66-6 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 100-02-7 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.15 CNC(=O)C1=CN=CC=C1 114-33-0 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.15 NCC(O)C1=CC=CC=C1 7568-93-6 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.61 NC(=O)C1=CC=CC=C1O 65-45-2 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.61 O=C(O)c1ccccc1O 69-72-7 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 1005-24-9 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.113 C[n+]1cccc(C(=O)O)c1 6138-41-6 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.113 O=C(O)C1=CC(O)=CC=C1 99-06-9 [0,1,0,0,0,0|0,0,0]=1 20 B8R1.7 O=C(O)C1=CC=CN1 634-97-9 [0,0,0,0,1,0|1,0,0]=2 21 B8R1.7 O=C(O)C1=COC=C1 488-93-7 [0,0,0,0,1,0|1,0,0]=2 22 B10R1.18 CC(=O)Oc1ccccc1 122-79-2 [0,0,0,0,0,1|1,0,0]=2 23 B10R1.18 O=C(O)CC1=CC=CC=C1 103-82-2 [0,0,0,0,0,1|0,0,0]=1 24 B7R1.3 NC1=CC=CC=C1 62-53-3 [2,0,0,0,0,0|1,0,0]=3 25 B7R1.3 OC1=CC=CC=C1 108-95-2 [2,0,0,0,0,0|0,0,0]=2 26 B7R1.3 OC1=CC=CC=N1 142-08-5 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 O=CC1=CC=C(O)C=C1 123-08-0 [1,1,0,0,0,0|0,0,0]=2 28 B9R1.2 O=Cc1cccc(O)c1 100-83-4 [1,1,0,0,0,0|0,0,0]=2 29 B9R1.2 OCC1=CC=CC(O)=C1 620-24-6 [1,1,0,0,0,0|0,0,1]=3 30 B9R1.8 NCCc1ccccc1 64-04-0 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.8 O=CCC1=CC=CC=C1 122-78-1 [1,1,0,0,0,0|0,0,0]=2 32 B9R1.15 COc1ccccc1O 90-05-1 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.20 O=C(O)Cc1ccc(O)cc1 156-38-7 [0,1,0,0,0,1|0,0,0]=2 34 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 611-71-2 [0,1,0,0,0,1|0,0,0]=2 35 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 90-64-2 [0,1,0,0,0,1|0,0,0]=2 36 B11R1.86 O=C(O)CC1=CC=CC=C1O 614-75-5 [0,1,0,0,0,1|0,0,0]=2 37 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 621-37-4 [0,1,0,0,0,1|0,0,0]=2 38 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 499-76-3 [0,2,0,0,0,0|0,0,0]=2 39 B11R1.21 Nc1cc(C(=O)O)ccc1O 1571-72-8 [0,2,0,0,0,0|0,0,0]=2 40 B11R1.22 NCC(O)c1ccc(O)cc1 770-05-8 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 89-84-9 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.166 O=C(O)c1cnc(O)nc1O 23945-44-0 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.87 Nc1ccccc1S(=O)(=O)O 88-21-1 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 548-93-6 [0,2,0,0,0,0|0,0,0]=2 45 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 303-38-8 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.167 O=C(O)c1cc(O)ccc1O 490-79-9 [0,2,0,0,0,0|0,0,0]=2 47 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 50887-69-9 [0,2,0,0,0,0|2,0,0]=4 48 B11R2.1 CC1=CNC2=C1C=CC=C2 83-34-1 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.91 O=C(O)CCC1=CC=CC=C1 501-52-0 [0,0,0,0,0,2|0,0,0]=2 50 B11R1.91 O=C(O)\C=C\c1ccccc1 140-10-3 [0,0,0,0,0,2|0,0,0]=2