0 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 CC(C#N)NC1=CC=CC=C1 BB32-1220 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.348 CC(CC(=O)O)SC1=NC=CC=C1 BB53-0715 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 BB31-4599 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.135 CN1N=C2C=CC=CC2=C1C=O BB31-7984 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.163 O=C1CC2=C(C=CC=C2)C=CN1 BB31-5524 [0,0,0,1,0,0|2,0,1]=4 9 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 BB31-5020 [0,0,0,0,0,1|2,0,1]=4 10 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.18 CC(C)CC1=NC=CC=C1 BB31-5691 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [1,1,0,0,0,0|1,0,0]=3 13 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [1,1,0,0,0,0|1,0,0]=3 14 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [0,1,0,0,1,0|0,0,2]=4 15 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [0,1,0,0,1,0|1,0,0]=3 16 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [0,1,0,0,1,0|1,0,0]=3 17 B14R1.818 CC(CC(=O)O)NCC1=CC=CN=C1 BB52-9510 [0,1,0,0,0,1|2,0,0]=4 18 B14R1.818 CC(CC(=O)O)NCC1=CC=NC=C1 BB52-9220 [0,1,0,0,0,1|2,0,0]=4 19 B14R1.818 CC(CC(=O)O)NCC1=NC=CC=C1 BB52-9809 [0,1,0,0,0,1|2,0,0]=4 20 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [0,2,0,0,0,0|2,0,0]=4 21 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 BB32-1950 [0,2,0,0,0,0|2,0,0]=4 22 B12R2.23 O=C1CCN1C2=CC=CC=C2 BB32-2781 [1,0,0,1,0,0|2,0,0]=4 23 B12R2.41 C1=CC2=C(C=C1)CCNCC2 BB31-3408 [1,0,0,1,0,0|1,0,1]=4 24 B12R2.1081 O=C1CCCC2=C1C=CN=C2 BB31-7974 [1,0,0,1,0,0|2,0,0]=4 25 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [1,0,0,1,0,0|2,0,0]=4 26 B12R2.24 CC1CNC2=C(C=CC=C2)C1 BB31-4086 [1,0,0,1,0,0|1,0,1]=4 27 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 BB32-0346 [1,0,0,1,0,0|1,0,1]=4 28 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [1,0,0,1,0,0|0,0,0]=2 29 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [1,0,0,1,0,0|0,0,2]=4 30 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [0,0,0,1,1,0|0,0,0]=2 31 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [0,0,0,1,1,0|2,0,0]=4 32 B14R2.112 O=C=NC1COC2=CC=CC=C2C1 BB51-2952 [0,0,0,1,0,1|0,0,2]=4 33 B14R2.28480 CC1=NC2=CC=CC(Br)=C2C(=O)N1 BB31-3597 [0,1,0,1,0,0|1,0,1]=4 34 B14R2.29365 CC1CC(=O)C2=C(C1)NC(=O)C=C2 BB52-7144 [0,1,0,1,0,0|2,0,0]=4 35 B14R2.6 C1=CC=C(C[C@@H]2COCCN2)C=C1 BB31-7634 [0,1,0,1,0,0|0,0,2]=4 36 B14R2.1019 O=C1NC(CO)=NC2=CC=CC=C12 BB52-8288 [0,1,0,1,0,0|1,0,1]=4 37 B14R2.1128 C(=O)C1=CC2=CC=CC=C2OC1C BB52-0800 [0,1,0,1,0,0|2,0,0]=4 38 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 BB52-0226 [0,1,0,1,0,0|2,0,0]=4 39 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 BB32-1365 [0,1,0,1,0,0|2,0,0]=4 40 B14R2.29496 CC1(C)NC(=O)C2=C(C=CC=C2)O1 BB31-4633 [0,1,0,1,0,0|1,0,0]=3 41 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,0,0,0,1,0|0,0,2]=4 42 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,0,0,0,1,0|0,0,2]=4