0 B8R1.2 NCC1=CC=CC=C1 100-46-9 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 O=CC1=CC=CC=C1 100-52-7 [0,0,0,0,0,0|0,0,2]=2 2 B8R1.2 OCC1=CC=CC=C1 100-51-6 [0,0,0,0,0,0|0,0,0]=0 3 B7R1.3 NC1=CC=CC=C1 62-53-3 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.3 OC1=CC=CC=C1 108-95-2 [1,0,0,0,0,0|0,0,0]=1 5 B7R1.3 OC1=CC=CC=N1 142-08-5 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.1 O=CC1=CC=C(O)C=C1 123-08-0 [0,1,0,0,0,0|0,0,2]=3 7 B9R1.2 O=Cc1cccc(O)c1 100-83-4 [0,1,0,0,0,0|0,0,2]=3 8 B9R1.2 OCC1=CC=CC(O)=C1 620-24-6 [0,1,0,0,0,0|0,0,0]=1 9 B9R1.6 C[C@H](O)c1ccccc1 1445-91-6 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.6 NC(=O)C1=CN=CC=C1 98-92-0 [0,1,0,0,0,0|1,0,2]=4 11 B9R1.6 O=C(O)C1=CC=CC=N1 98-98-6 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.6 O=C(O)c1ccccc1 65-85-0 [0,1,0,0,0,0|0,0,1]=2 13 B9R1.6 O=C(O)c1cccnc1 59-67-6 [0,1,0,0,0,0|1,0,1]=3 14 B9R1.8 NCCc1ccccc1 64-04-0 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.8 O=CCC1=CC=CC=C1 122-78-1 [0,1,0,0,0,0|0,0,1]=2 16 B9R1.15 COc1ccccc1O 90-05-1 [0,1,0,0,0,0|2,0,0]=3 17 B6R1.1 c1cncnc1 289-95-2 [2,0,0,0,0,0|2,0,0]=4 18 B8R1.3 CC1=CC=C(O)C=C1 106-44-5 [1,1,0,0,0,0|0,0,0]=2 19 B8R1.3 CC1=CN=C(C)C=N1 123-32-0 [1,1,0,0,0,0|2,0,0]=4 20 B8R1.3 OC1=CC=C(O)C=C1 123-31-9 [1,1,0,0,0,0|0,0,0]=2 21 B8R1.4 Oc1cccc(O)n1 10357-84-3 [1,1,0,0,0,0|1,0,0]=3 22 B8R1.5 Nc1ccccc1O 95-55-6 [1,1,0,0,0,0|0,0,0]=2 23 B8R1.5 OC1=CC=CC=C1O 120-80-9 [1,1,0,0,0,0|0,0,0]=2 24 B8R1.7 O=C(O)C1=CC=CN1 634-97-9 [0,1,0,0,1,0|1,0,1]=4 25 B8R1.7 O=C(O)C1=COC=C1 488-93-7 [0,1,0,0,1,0|1,0,1]=4 26 B10R1.1 NCCc1ccc(O)cc1 51-67-2 [0,2,0,0,0,0|1,0,0]=3 27 B10R1.13 CN(C)c1ccc(N)cc1 99-98-9 [0,2,0,0,0,0|2,0,0]=4 28 B10R1.13 Nc1ccc(C(=O)O)cc1 150-13-0 [0,2,0,0,0,0|0,0,1]=3 29 B10R1.13 O=C(O)C1=CC=C(O)C=C1 99-96-7 [0,2,0,0,0,0|0,0,1]=3 30 B10R1.13 O=C(O)C1=CN=C(O)C=C1 5006-66-6 [0,2,0,0,0,0|1,0,1]=4 31 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 100-02-7 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.25 O=C1NC=C(CO)C(=O)N1 4433-40-3 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.113 C[n+]1cccc(C(=O)O)c1 6138-41-6 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.113 O=C(O)C1=CC(O)=CC=C1 99-06-9 [0,2,0,0,0,0|0,0,1]=3 35 B10R1.15 NCC(O)C1=CC=CC=C1 7568-93-6 [0,2,0,0,0,0|0,0,0]=2 36 B10R1.61 NC(=O)C1=CC=CC=C1O 65-45-2 [0,2,0,0,0,0|0,0,2]=4 37 B10R1.61 O=C(O)c1ccccc1O 69-72-7 [0,2,0,0,0,0|0,0,1]=3 38 B10R1.17 O=C\C=C\C1=CC=CC=C1 14371-10-9 [0,2,0,0,0,0|0,0,2]=4 39 B10R1.18 CC(=O)Oc1ccccc1 122-79-2 [0,2,0,0,0,0|0,0,2]=4 40 B10R1.18 O=C(O)CC1=CC=CC=C1 103-82-2 [0,2,0,0,0,0|0,0,0]=2 41 B10R2.7 C1=CC2=C(C=C1)NC=C2 120-72-9 [0,1,0,1,0,0|1,0,1]=4