0 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2Br CS-0055872 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 CS-0086207 [1,0,0,0,0,0|2,0,0]=3 2 B12R2.18 CN1C(=O)NC2=NC=CC=C21 CS-0086354 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 CS-0093897 [1,0,0,0,0,0|2,1,0]=4 4 B12R2.196 FC1=CC=CC2=C1NN=C2I CS-0050028 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.196 OB1OCC2=C(F)C=CC=C12 CS-0078595 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 CS-W008342 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.202 FC1=C2N=C(Br)SC2=CC=C1 CS-0103363 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.202 NC1=NC2=C(F)C=CC=C2S1 CS-W022180 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 CS-0004789 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS-0032315 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 CS-0051004 [1,0,0,0,0,0|2,1,0]=4 12 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 CS-0043170 [1,0,0,0,0,0|1,1,0]=3 13 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 CS-0064118 [1,0,0,0,0,0|1,2,0]=4 14 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Cl)C1=O CS-0103497 [0,1,0,0,0,0|1,1,1]=4 15 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 CS-0063908 [0,0,1,0,0,0|2,0,1]=4 16 B14R2.8045 CC1=C2NC(=O)OC(=O)C2=CC=C1 CS-0034436 [0,0,0,0,0,1|2,0,1]=4 17 B14R2.8045 O=C1NC(=O)C2=C(N1)C(I)=CC=C2 CS-0039073 [0,0,0,0,0,1|1,1,1]=4 18 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F CS-0068200 [0,0,0,0,0,1|2,1,0]=4 19 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O CS-B0777 [1,0,1,0,0,0|1,1,0]=4 20 B11R1.159 NC1=C(I)C=CC=C1C(=O)O CS-0030571 [1,0,1,0,0,0|1,1,0]=4 21 B11R1.159 NC1=C([N+](=O)[O-])C=CC=C1F CS-D0998 [1,0,1,0,0,0|0,0,2]=4 22 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 CS-W017481 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 CS-W007697 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 CS-M0494 [1,0,1,0,0,0|1,1,0]=4 26 B11R2.10 O=C1NC2=C(C=NC=C2)N1 CS-W021327 [2,0,0,0,0,0|1,0,0]=3 27 B11R2.10 OC1=NC2=CC=CC=C2N1 CS-W008003 [2,0,0,0,0,0|0,0,2]=4 28 B11R2.106 BrC1=C2NC=NC2=CC=C1 CS-W004724 [2,0,0,0,0,0|0,1,1]=4 29 B11R2.106 CC1=C2NC=NC2=CC=C1 CS-0012653 [2,0,0,0,0,0|1,0,1]=4 30 B11R2.106 FC1=CC=CC2=C1NN=C2 CS-W019999 [2,0,0,0,0,0|2,0,0]=4 31 B11R2.106 OC1=C2N=CNC2=CC=C1 CS-0035564 [2,0,0,0,0,0|1,0,1]=4 32 B13R1.3423 O=C(O)[C@@H](O)C1=CC(F)=CC(F)=C1 CS-B0701 [0,1,1,0,0,0|2,0,0]=4 33 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 CS-0041558 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS-0036961 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 CS-0045288 [1,1,0,0,0,0|1,0,1]=4 36 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 CS-W002403 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 CS-0037724 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.5190 CN1C(=O)CC2=CC(O)=CC=C21 CS-0036169 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O CS-0037862 [1,1,0,0,0,0|1,0,1]=4 40 B13R2.9 O=CC1=CNC2=C1C=CC=C2F CS-0037102 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.581 COC1=C2NC(=O)SC2=CC=C1 CS-0019318 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.2091 O=CC1=CNC2=CC=CC(F)=C12 CS-W007100 [0,0,1,1,0,0|2,0,0]=4 43 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 CS-W023164 [1,0,0,0,0,1|2,0,0]=4 44 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 CS-0097773 [1,0,0,0,0,1|2,0,0]=4 45 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 CS-W020079 [1,0,0,0,0,1|1,0,0]=3