0 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB0221448 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB0221457 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 BB0289137 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB0237139 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB0268017 [1,0,0,0,0,0|0,0,0]=1 5 B13R1.11 CCC(=O)N[C@@H](C)C1=CC=CC=C1 BB0281881 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BB0293271 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.14 CNC(=O)COC1=CC=C(C)C=C1 BB0288706 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 BB0293224 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 BB0269295 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.14 COC(=O)CNC1=CC=C(C)C=C1 BB0221450 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BB0221443 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BB0221449 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 BB0221049 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB0293297 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.15 CNC(=O)COC1=CC(C)=CC=C1 BB0288709 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.15 CNC(=O)COC1=CC=CC(F)=C1 BB0290225 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 BB0289834 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 BB0258911 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 BB0261639 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.528 CNC(=O)COC1=C(C)C=CC=C1 BB0289155 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.528 CNC(=O)COC1=C(F)C=CC=C1 BB0290229 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 BB0269297 [0,1,0,0,0,0|0,0,2]=3 23 B13R2.10 CC1=CC(C2=CC=CC=C2)=NO1 BB0263030 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 BB0218353 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB0287994 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 BB0270363 [0,0,0,1,0,0|1,0,2]=4 27 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB0266812 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 BB0245398 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 BB0276575 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 BB0257504 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.40 CCC(=O)NC1=CC=CC=C1 BB0280635 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.40 COC(=O)CC1=CN=CC=C1 BB0268341 [0,0,0,0,1,0|1,0,1]=3 33 B11R1.40 NCC(=O)NC1=CC=CC=C1 BB0254727 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.40 NNC(=O)CC1=CC=CC=C1 BB0274905 [0,0,0,0,1,0|2,0,1]=4 35 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BB0257989 [0,0,0,0,1,0|3,0,0]=4 36 B13R1.718 COC(=O)CCCC1=CC=NC=C1 BB0218120 [0,0,0,0,0,1|1,0,2]=4 37 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BB0241895 [0,0,0,0,0,1|0,0,2]=3 38 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB0269907 [0,0,0,0,0,1|1,0,2]=4 39 B13R1.718 COC(=O)N\N=C\C1=CN=CC=C1 BB0277441 [0,0,0,0,0,1|2,0,0]=3 40 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BB0266827 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BB0280161 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.21 CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 BB0269531 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB0270604 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 BB0267977 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 BB0221133 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BB0217920 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 BB0269890 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 BB0290904 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 BB0267153 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB0221039 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O BB0285226 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 BB0269727 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 BB0281884 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 BB0269827 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BB0221119 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB0290813 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB0284627 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 BB0281883 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB0217917 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 BB0266952 [1,1,0,0,0,0|0,0,0]=2 61 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 BB0254086 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB0245337 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 BB0288731 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB0293247 [0,1,0,0,1,0|1,0,1]=4 65 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 BB0245334 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.50 CCC(=O)NC1=CC(O)=CC=C1 BB0288537 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 BB0287086 [0,1,0,0,1,0|2,0,0]=4 68 B14R1.163 COC(=O)NNC(=O)C1=CC=CC=C1 BB0294310 [0,1,0,0,0,1|1,0,0]=3 69 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 BB0266630 [0,1,0,0,0,1|0,0,2]=4 70 B14R1.5 COC(=O)CNC1=CC=C(OC)C=C1 BB0221451 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(Cl)C=C1 BB0258914 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 BB0269296 [0,2,0,0,0,0|0,0,2]=4 73 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 BB0221453 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 BB0287886 [0,2,0,0,0,0|0,0,2]=4 75 B14R1.60 CCOC(=O)[C@H](C)NC1=CC=CC=C1 BB0221038 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.863 COC(=O)COC1=C(OC)C=CC=C1 BB0287326 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 BB0267826 [0,0,1,1,0,0|1,0,1]=4 78 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 BB0265894 [0,0,1,1,0,0|2,0,0]=4 79 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 BB0266924 [0,0,1,1,0,0|2,0,0]=4 80 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 BB0287554 [0,0,1,1,0,0|2,0,0]=4 81 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 BB0293021 [0,0,1,1,0,0|2,0,0]=4 82 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 BB0267270 [0,0,1,1,0,0|1,0,1]=4 83 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 BB0267742 [0,0,1,1,0,0|1,0,1]=4 84 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 BB0268022 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.24 IC1=CC2=CC=CC=C2C=C1 BB0220370 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.24 NC1=CC2=CC=CC=C2C=C1 BB0266016 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.24 OC1=CC2=NC=CC=C2C=C1 BB0270513 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 BB0268559 [0,0,0,1,0,1|0,0,2]=4 89 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 BB0218389 [0,0,0,1,0,1|2,0,0]=4 90 B14R2.1019 CCC1=NC2=CC=CC=C2C(N)=C1 BB0263799 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.1019 CCC1=NC2=CC=CC=C2C(O)=C1 BB0263773 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.1019 COC1=CC2=CC=CN=C2C(N)=C1 BB0270011 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 BB0219027 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 BB0269994 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.20 CC1=CC(C2=CC=C(Cl)C=C2)=NO1 BB0262972 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.20 CC1=CC(C2=CC=C(F)C=C2)=NO1 BB0262973 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.20 CC1=CC=C(C2=NOC(C)=C2)C=C1 BB0262975 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.20 ClC1=CC(C2=CC=C(Br)C=C2)=NO1 BB0268207 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.20 ClC1=CC=C(C2=NOC(Cl)=C2)C=C1 BB0268208 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.20 O=C1NC(C2=CC=C(Br)C=C2)=NO1 BB0268436 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.20 O=C1NC(C2=CC=C(Cl)C=C2)=NO1 BB0265847 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.22 ClC1=CC(C2=CC=CC(Br)=C2)=NO1 BB0268210 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.22 ClC1=CC(C2=NOC(Cl)=C2)=CC=C1 BB0268205 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.22 ClC1=CC=CC(C2=NOC(Br)=C2)=C1 BB0268204 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 BB0270512 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 BB0268375 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)O1 BB0217244 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.972 O=C(CBr)C1=CC2=C(C=CC=C2)O1 BB0237134 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.18 CC(=O)CC1=NC=CC=C1 BB0255238 [1,0,0,0,1,0|1,0,1]=4 110 B10R1.18 O=C(O)CC1=CN=CC=C1 BB0259224 [1,0,0,0,1,0|1,0,1]=4 111 B10R1.66 NC(=O)\C=C\C1=CC=CO1 BB0279604 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB0238505 [1,0,0,0,1,0|1,0,0]=3 113 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BB0280516 [1,0,0,0,1,0|1,0,0]=3 114 B10R1.15 C#CC(=O)C1=CC=CC=C1 BB0270313 [0,0,0,0,2,0|1,0,1]=4