0 B14R2.28472 CN1CC2=C(C=CC=C2Br)NC1=O H-8171 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.28472 O=C1NC2=C(NC1=O)C(O)=CC=C2 O29383 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.162 FC1=C2N=C(Cl)C=CC2=CC=C1 O32555 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 O31565 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 OC1=CC2=C(C=CC=C2Br)C=N1 O31493 [1,0,0,0,0,0|2,1,0]=4 5 B13R2.162 OC1=NC2=C(Cl)C=CC=C2N=C1 Q69769 [1,0,0,0,0,0|1,1,1]=4 6 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 G-7412 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I Q67670 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br O29594 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.369 CC1=CC2=CC=CC=C2NC1=O H-8558 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br O33096 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 CC1NC2=CC=CC=C2NC1=O C-2873 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br C-2201 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 NC1=C(O)N=C2C=CC=CC2=N1 G-6217 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O O31934 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br N25822 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.369 OC1=C(Cl)N=C2C=CC=CC2=N1 G-7209 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.5179 ClC1=CC=C2C(Cl)=CC=CC2=N1 I-9877 [1,0,0,0,0,0|1,1,1]=4 18 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 O30405 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.5179 O=C1C=CC2=C(C=CC=C2Br)N1 O30380 [1,0,0,0,0,0|0,1,0]=2 20 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 O30080 [1,0,0,0,0,0|0,1,2]=4 21 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 O30284 [1,0,0,0,0,0|1,0,2]=4 22 B13R2.5179 O=C1CCC2=C(N=CC=C2F)N1 L14994 [1,0,0,0,0,0|1,0,2]=4 23 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 P34795 [0,0,1,0,0,0|2,1,0]=4 24 B13R1.148 O=C(O)C(=O)CC1=CC=CC(O)=C1 P37992 [0,0,1,0,0,0|3,0,0]=4 25 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O O32269 [0,0,0,0,1,0|1,1,1]=4 26 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 O30726 [0,0,0,0,1,0|0,0,1]=2 27 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P48889 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.50 C=CC(=O)NC1=CC=CC(N)=C1 P47752 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.371 C\C(C=O)=C/C1=CC=CC=C1F Q69219 [1,0,1,0,0,0|1,0,0]=3 30 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [1,0,1,0,0,0|2,0,0]=4 32 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 C-3537 [2,0,0,0,0,0|1,0,0]=3 33 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [2,0,0,0,0,0|1,0,1]=4 34 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [2,0,0,0,0,0|0,0,1]=3 36 B12R2.24 SC1=CC2=CC=CC=C2N=C1 O29500 [2,0,0,0,0,0|0,1,1]=4 37 B12R2.1081 FC1=C2C=CC=NC2=CC=C1 O31627 [2,0,0,0,0,0|0,0,1]=3 38 B12R2.1081 FC1=CC=CC2=C1C=NC=C2 O31498 [2,0,0,0,0,0|2,0,0]=4 39 B14R1.17 O=C(\C=N\O)NC1=CC=CC(Br)=C1F Q69804 [0,1,1,0,0,0|1,1,0]=4 40 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 M15824 [1,1,0,0,0,0|2,0,0]=4 41 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br N26382 [1,1,0,0,0,0|1,0,1]=4 42 B14R2.8239 CC1=CC2=CC(N)=CC=C2NC1=O H-8547 [1,1,0,0,0,0|1,0,0]=3 43 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 M15624 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.1073 COC1=CC=CC2=C1N=CC(=O)N2 P51637 [1,1,0,0,0,0|2,0,0]=4 45 B14R2.28480 O=C1NC(=O)C2=C(C=CC=C2Br)N1 O32226 [1,1,0,0,0,0|1,1,0]=4 46 B14R2.28480 O=C1NC2=CC=CC(F)=C2C(=O)O1 O30211 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.29369 O=C1N=CC2=C(C=CC(Br)=C2F)N1 O32333 [1,1,0,0,0,0|1,0,0]=3 48 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2F)C1=O L18389 [0,1,0,0,1,0|1,0,1]=4 49 B14R2.19007 N\N=C1\C(=O)NC2=C1C(Br)=CC=C2 P43228 [0,1,0,0,1,0|1,1,0]=4 50 B14R2.27750 O=C1NC2=C(C1=O)C(F)=CC(F)=C2 P51311 [0,1,0,0,1,0|0,0,1]=3 51 B14R2.27750 O=C1NC2=CC(F)=CC(Cl)=C2C1=O Q61055 [0,1,0,0,1,0|0,1,1]=4 52 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 I-9560 [0,0,1,1,0,0|2,0,0]=4 53 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 O32240 [0,0,1,1,0,0|2,0,0]=4 54 B12R1.225 CC1=CC(C(=O)C(=O)O)=CC=C1 P37051 [0,0,1,0,1,0|2,0,0]=4 55 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 P36439 [0,0,1,0,1,0|1,1,0]=4 56 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 P39209 [0,0,1,0,1,0|1,1,0]=4 57 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 P36019 [0,0,1,0,1,0|1,0,0]=3 58 B12R1.225 O=C(O)C(=O)C1=CC=CC(I)=C1 P39211 [0,0,1,0,1,0|1,1,0]=4 59 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1F P36020 [0,0,1,0,1,0|1,0,1]=4 60 B12R2.202 CC1=CC2=C(C=CC=C2Br)N1 L22373 [1,0,0,0,1,0|1,1,0]=4 61 B12R2.202 CC1=CC2=C(C=CC=C2Cl)N1 Q55413 [1,0,0,0,1,0|1,1,0]=4 62 B12R2.202 CC1=CC2=C(F)C=NC=C2N1 P50401 [1,0,0,0,1,0|2,0,0]=4 63 B12R2.202 CC1=CC2=C(F)N=CC=C2N1 P49569 [1,0,0,0,1,0|2,0,0]=4 64 B12R2.202 CC1=CC2=C(N=CC=C2F)N1 P44382 [1,0,0,0,1,0|2,0,0]=4 65 B12R2.202 FC1=C2C=C(Br)NC2=CC=N1 P50411 [1,0,0,0,1,0|2,0,0]=4 66 B12R2.202 FC1=C2C=C(I)NC2=CC=N1 P50455 [1,0,0,0,1,0|2,0,0]=4 67 B12R2.202 FC1=C2C=C(I)NC2=CN=C1 P50403 [1,0,0,0,1,0|2,0,0]=4 68 B12R2.203 CC1=CNC2=C1C(F)=CC=C2 Q55308 [1,0,0,0,1,0|1,0,0]=3 69 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 Q55294 [1,0,0,0,1,0|2,0,0]=4 70 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 L13715 [1,0,0,0,1,0|1,1,0]=4 71 B12R2.203 CC1=CNC2=CC=CC(N)=C12 L13255 [1,0,0,0,1,0|2,0,0]=4 72 B12R2.203 CC1=CNC2=CC=NC(F)=C12 P50416 [1,0,0,0,1,0|2,0,0]=4 73 B12R2.203 CC1=CNC2=CN=CC(F)=C12 P50212 [1,0,0,0,1,0|2,0,0]=4 74 B12R2.203 FC1=C2C(Br)=CNC2=CC=N1 P49619 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.203 FC1=C2C(Br)=CNC2=CN=C1 P49598 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.203 FC1=C2C(Br)=CNC2=NC=C1 O32904 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.203 FC1=C2C(I)=CNC2=CC=N1 P49616 [1,0,0,0,1,0|2,0,0]=4 78 B12R2.203 FC1=C2C(I)=CNC2=CN=C1 P49461 [1,0,0,0,1,0|2,0,0]=4 79 B12R2.203 FC1=C2C(I)=CNC2=NC=C1 O33460 [1,0,0,0,1,0|2,0,0]=4 80 B12R2.203 FC1=CC=CC2=C1C(Br)=CN2 Q52773 [1,0,0,0,1,0|1,0,0]=3 81 B12R2.203 FC1=CC=CC2=C1C(I)=NN2 H-8948 [1,0,0,0,1,0|2,0,0]=4 82 B12R2.203 FC1=CNC2=C1C(Br)=CC=C2 K16149 [1,0,0,0,1,0|1,1,0]=4 83 B12R2.203 NC1=CC=CC2=C1C(Br)=CN2 Q55415 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.203 NC1=CNC2=CC=NC(F)=C12 P48586 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.203 OC1=NNC2=C1C(Br)=CC=C2 Q56599 [1,0,0,0,1,0|1,1,0]=4 86 B12R2.18 C=C1C(=O)NC2=C1C=CC=N2 Q55064 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P45467 [1,0,0,0,1,0|1,0,1]=4 88 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O Q52820 [1,0,0,0,1,0|1,0,1]=4 89 B12R2.196 O=C1CCC2=C1C=CC=C2F P36547 [1,0,0,0,1,0|0,0,2]=4 90 B12R2.196 O=C1COC2=C1C=CC=C2F S72794 [1,0,0,0,1,0|1,0,1]=4 91 B12R2.196 O=C1CSC2=C(F)C=CC=C12 L19573 [1,0,0,0,1,0|1,0,1]=4