0 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.32 CCOC(=O)CC1=NC=NC=C1 BB31-1022 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.252 FC(F)CNCC1=CC=CC=C1 BB05-4643 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.425 CC(C)[C@@H](N)C(=O)NC1=NC=CC=C1 BB31-2993 [0,1,0,0,0,0|2,0,0]=3 5 B14R1.433 CC(C)(C)OC(=O)CC1=NC=CC=C1 BB31-2901 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.642 CC(C)C1C(=O)NC2=C1C=CC=C2 BB32-2646 [0,0,0,1,0,0|1,0,0]=2 7 B14R2.738 CC1=NC2=CC=CC=C2NC(=O)C1 BB52-1545 [0,0,0,1,0,0|2,0,1]=4 8 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 BB52-0226 [0,0,0,1,0,0|2,0,0]=3 9 B14R2.768 CC(C)NC1=NC2=CC=CC=C2N1 BB52-6275 [0,0,0,1,0,0|3,0,0]=4 10 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 BB32-3884 [0,0,0,0,1,0|2,0,0]=3 11 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [0,0,0,0,1,0|1,0,1]=3 12 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [2,0,0,0,0,0|0,0,2]=4 13 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [2,0,0,0,0,0|1,0,0]=3 15 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [2,0,0,0,0,0|2,0,0]=4 16 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 BB32-3953 [1,1,0,0,0,0|2,0,0]=4 17 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 BB31-0561 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.19 CCOC(=O)CC1=NC=C(F)C=C1 BB31-0108 [1,1,0,0,0,0|2,0,0]=4 19 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=N1 BB31-3430 [1,1,0,0,0,0|2,0,0]=4 20 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 BB31-6176 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.47 CCOC(=O)C(N)C1=CC=NC=C1 BB31-1071 [1,1,0,0,0,0|2,0,0]=4 22 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 BB31-3913 [0,1,0,0,1,0|2,0,0]=4 23 B13R1.202 CC(C)C(=O)NC1=C(N)C=CC=C1 BB12-7669 [0,1,0,0,1,0|1,0,0]=3 24 B15R1.111 CC(=O)OCC(=O)CC1=CC=C(Cl)C=C1 BB32-3324 [0,1,0,0,0,1|1,0,1]=4 25 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 BB32-2059 [0,1,0,0,0,1|1,0,0]=3 26 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(Br)C=C1 BB31-6297 [0,2,0,0,0,0|1,0,0]=3 27 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 BB31-4594 [1,0,0,1,0,0|1,0,0]=3 28 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BB31-7293 [1,0,0,1,0,0|2,0,0]=4 29 B13R2.690 O=C(NC1CC1)C2=CC=NC=C2 BB32-1735 [0,0,0,1,1,0|2,0,0]=4 30 B15R2.27 O=C1CC(=O)NC(C2=CC=CC=C2)C1 BB31-0802 [0,0,0,1,0,1|1,0,1]=4 31 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 BB31-5887 [0,0,0,1,0,1|1,0,0]=3 32 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 BB32-3525 [0,0,0,1,0,1|0,0,0]=2 33 B15R2.4244 CC(C)C(N)C1=NC2=CC=CC=C2N1 BB52-0098 [0,1,0,1,0,0|2,0,0]=4 34 B15R2.31 C[C@H]1CN(CC2=CC=CC=C2)CCN1 BB31-1957 [0,1,0,1,0,0|2,0,0]=4 35 B15R2.1853 CC(C)N1C2=CC=CC=C2N=C1C=O BB52-0064 [0,1,0,1,0,0|2,0,0]=4 36 B15R2.7252 CC(C)CC1=NC2=CC=C(N)C=C2N1 BB52-1074 [0,1,0,1,0,0|2,0,0]=4 37 B15R2.15 OCC1CCN(CC2=CC=CC=C2)C1 BB52-8381 [0,1,0,1,0,0|2,0,0]=4 38 B15R2.19393 COC(=O)C1C(=O)CC2=C1C=CC=C2 BB31-6211 [0,1,0,1,0,0|1,0,1]=4 39 B15R3.1724 C1=CC=C(CN2CC3CC3C2)C=C1 BB31-7400 [0,0,0,2,0,0|2,0,0]=4 40 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [1,0,0,0,1,0|1,0,0]=3 41 B11R1.91 CC(C)NCC1=CC=CN=C1 BB31-3857 [1,0,0,0,1,0|2,0,0]=4 42 B11R1.36 C=C(C1=CC=CC=C1)C(C)C BB31-3442 [0,0,0,0,2,0|1,0,0]=3 43 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [0,0,0,0,2,0|1,0,1]=4 44 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [0,0,0,0,2,0|1,0,1]=4 45 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [0,0,0,0,2,0|1,0,1]=4 46 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 BB31-7456 [1,0,0,0,0,1|1,0,0]=3 47 B13R1.42 O=C(CCCl)NCC1=CC=CN=C1 BB52-9649 [1,0,0,0,0,1|2,0,0]=4 48 B13R1.42 O=C(CCCl)NCC1=CC=NC=C1 BB52-8927 [1,0,0,0,0,1|2,0,0]=4 49 B13R1.42 O=C(CCCl)NCC1=NC=CC=C1 BB52-9996 [1,0,0,0,0,1|2,0,0]=4