0 B13R2.10 BrC1=NOC(C2=CC=CC=C2)=N1 O30312 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 H-8913 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [0,0,0,0,0,0|0,0,2]=2 3 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 P39998 [0,0,0,0,0,0|0,1,2]=3 4 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 P51017 [0,0,0,0,0,0|1,1,2]=4 5 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 P36661 [0,0,0,0,0,0|1,0,3]=4 6 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 L14617 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 O34051 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 Q54186 [0,0,0,0,0,0|1,1,1]=3 10 B12R2.2 C1=CC=C(C2=CSC=N2)C=C1 Q68031 [1,0,0,0,0,0|0,1,2]=4 11 B12R2.2 C1=CC=C(C2CCCN2)C=C1 Q55561 [1,0,0,0,0,0|1,0,2]=4 12 B12R2.2 C1=CC=C(C2CCCO2)C=C1 G-5955 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.2 C1=CC=C(C2CCNC2)C=C1 L13987 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P44791 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 L14895 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 10698 [1,0,0,0,0,0|1,0,2]=4 17 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 L22374 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.8 NCC1=NC(C2=NC=CC=C2)=NO1 L20910 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 P39821 [0,1,0,0,0,0|0,1,2]=4 20 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 P39820 [0,1,0,0,0,0|0,1,2]=4 21 B14R2.20 O=C1CC(C2=CC=C(O)C=C2)CN1 L19829 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.22 NC1=NC(C2=CC=CC(F)=C2)=CS1 P38043 [0,1,0,0,0,0|0,1,2]=4 23 B14R2.256 O=C1CC(C2=CC=CC=C2Br)CN1 Q70124 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,0,1,0,0,0|1,0,1]=3 26 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,0,1,0,0,0|3,0,0]=4 29 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,0,0,0,1,0|1,0,1]=3 30 B12R2.22 NC1CN(C2=CC=CC=C2)C1 L21688 [0,0,0,0,1,0|2,0,1]=4 31 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,0,0,0,1,0|1,0,1]=3 32 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,0,0,0,1,0|1,0,1]=3 33 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,0,1,0|2,0,0]=3 34 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,0,1,0|1,0,1]=3 35 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [0,0,0,0,1,0|2,0,0]=3 36 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [0,0,0,0,0,1|2,0,0]=3 37 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 O31172 [0,0,0,0,0,1|1,1,1]=4 38 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 O32230 [0,0,0,0,0,1|1,0,2]=4 39 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [0,0,0,0,0,1|1,0,1]=3 40 B14R2.68 NC1=CC=C(C2=CC=CC=C2)N=C1 P41904 [0,0,0,0,0,1|1,0,2]=4 41 B14R2.68 NC1=NC=C(C2=CC=CC=C2)C=C1 Q67894 [0,0,0,0,0,1|1,0,2]=4 42 B14R2.68 NC1=NC=C(C2=CC=CC=C2)N=C1 O30817 [0,0,0,0,0,1|1,0,2]=4 43 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 L22347 [0,0,0,0,0,1|1,0,1]=3 44 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P50757 [0,0,0,0,0,1|1,0,1]=3 45 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 P37490 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [1,0,1,0,0,0|0,0,2]=4 48 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [1,0,1,0,0,0|0,0,2]=4 49 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [1,0,1,0,0,0|0,0,2]=4 50 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [1,0,1,0,0,0|1,0,1]=4 51 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.528 COC(=O)CCC1=CC=CC=C1Br P36769 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.528 COC(=O)CCC1=CC=CC=C1F P41253 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 O31714 [0,1,1,0,0,0|2,0,0]=4 63 B13R2.12 BrC1=CC=C(C2=COC=N2)C=C1 O32395 [1,1,0,0,0,0|0,0,2]=4 64 B13R2.147 CC1=CC=C(C2CC(=O)N2)C=C1 P39794 [0,1,0,0,1,0|1,0,1]=4 65 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 L20848 [0,1,0,0,1,0|1,0,1]=4 67 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 P39793 [0,1,0,0,1,0|1,0,1]=4 68 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 P35036 [0,1,0,0,1,0|1,0,1]=4 69 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)N1 P35152 [0,1,0,0,1,0|1,0,1]=4 70 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)N1 P35037 [0,1,0,0,1,0|1,0,1]=4 71 B13R2.216 CC1=CC=CC=C1C2CC(=O)N2 P35881 [0,1,0,0,1,0|1,0,1]=4 72 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)N1 P35883 [0,1,0,0,1,0|1,0,1]=4 73 B13R2.216 O=C1CC(C2=CC=CC=C2F)N1 P35879 [0,1,0,0,1,0|1,0,1]=4 74 B13R2.238 NC1CC(O)(C2=CC=CC=C2)C1 P50557 [0,1,0,0,1,0|1,0,1]=4 75 B13R2.1613 OCC1=NC=CC2=C1C=CC=C2 O31118 [0,0,1,1,0,0|1,0,1]=4 76 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,0,1,1,0,0|2,0,0]=4 77 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,0,1,1,0,0|2,0,0]=4 78 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,0,1,1,0,0|2,0,0]=4 80 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,0,1,1,0,0|2,0,0]=4 81 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,0,1,1,0,0|2,0,0]=4 82 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,0,1,1,0,0|2,0,0]=4 83 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,0,1,0,1,0|1,0,1]=4 84 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,0,1,0,1,0|2,0,0]=4 85 B11R1.36 CC(C(=O)O)C1=CC=CN=C1 O29526 [0,0,1,0,1,0|2,0,0]=4 86 B11R1.36 CC(C(=O)O)C1=NC=CC=C1 O29926 [0,0,1,0,1,0|2,0,0]=4 87 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,0,1,0,1,0|1,0,1]=4 88 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [1,0,0,0,1,0|0,0,2]=4 89 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [1,0,0,0,1,0|1,0,1]=4 90 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [1,0,0,0,1,0|1,0,1]=4 91 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [0,0,0,0,2,0|0,0,1]=3 92 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [0,0,0,0,2,0|0,0,1]=3 93 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [0,0,0,0,2,0|0,0,1]=3 94 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,1,0,0,1|2,0,0]=4