0 B12R1.8 CCCCCCC1=CN=CC=C1 9587AB [1,0,0,0,0,0|2,0,1]=4 1 B12R1.27 NCC(=O)OCC1=CC=CC=C1 3139AL [1,0,0,0,0,0|2,0,0]=3 2 B14R1.29 CCOC(=O)CC(N)C1=CC=NC=N1 Y6012 [0,1,0,0,0,0|2,0,0]=3 3 B14R1.502 CCCC(=O)CCC1=CC=C(F)C=C1 9481AH [0,1,0,0,0,0|1,0,0]=2 4 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 F048 [0,1,0,0,0,0|0,0,2]=3 5 B14R1.598 CCOC(=O)CCC1=CC=CN=C1C 4051AJ [0,1,0,0,0,0|1,0,0]=2 6 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F Y8815 [0,1,0,0,0,0|0,0,2]=3 7 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8708AC [0,0,0,1,0,0|2,0,0]=3 8 B12R1.32 CCNC(=S)NC1=CC=CC=C1 8961AD [0,0,0,0,1,0|2,1,0]=4 9 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 P445 [0,0,0,0,0,1|1,0,0]=2 10 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 R858 [0,0,0,0,0,1|0,0,0]=1 11 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [2,0,0,0,0,0|1,1,0]=4 12 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [2,0,0,0,0,0|1,0,1]=4 13 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [2,0,0,0,0,0|0,0,2]=4 14 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [2,0,0,0,0,0|2,0,0]=4 15 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [2,0,0,0,0,0|1,0,1]=4 17 B13R1.555 CCNCCCC1=C(Br)C=CC=C1 Z1220 [1,1,0,0,0,0|1,0,1]=4 18 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 1298AL [1,1,0,0,0,0|1,0,0]=3 19 B13R1.14 COC(=O)\C=C\C1=CC=C(N)C=C1 X5349 [1,1,0,0,0,0|0,0,2]=4 20 B13R1.135 NC(CC1=CC=CC=C1)C(=O)OC Y1503 [1,1,0,0,0,0|0,0,0]=2 21 B13R1.135 N[C@H](CC1=CC=CC=C1)C(=O)OC Y1718 [1,1,0,0,0,0|0,0,0]=2 22 B13R1.351 NC(CCC1=CC=CC=C1)C(C)C 9467AL [1,1,0,0,0,0|1,0,1]=4 23 B13R1.528 O=C(CCl)NCC1=C(Br)C=CC=C1 2896AF [1,1,0,0,0,0|2,0,0]=4 24 B13R1.47 CCOC(=O)C(=O)C1=CC=NC=C1 Z3364 [0,1,0,0,1,0|1,0,1]=4 25 B13R1.33 CCOC(=O)CC(=O)C1=CNC=C1 4124AJ [0,1,0,0,1,0|1,0,1]=4 26 B15R1.809 CCOC(=O)\C=C(\C)NC1=CC=CC=C1 Y9664 [0,1,0,0,0,1|0,0,2]=4 27 B15R1.1257 CCOC(=O)C\C(=N\O)C1=NC=CC=C1 Y6102 [0,2,0,0,0,0|1,0,1]=4 28 B15R1.10389 CCOC(=O)COC1=CC(CBr)=CC=C1 5307AH [0,2,0,0,0,0|1,0,0]=3 29 B15R1.551 CCCNC(=O)[C@@H](N)CC1=CC=CC=C1 V4350 [0,2,0,0,0,0|1,0,0]=3 30 B15R1.78 CCCCOC(=O)\C=C\C1=CC=CC=C1 Z3337 [0,2,0,0,0,0|0,0,2]=4 31 B15R1.741 C[C@@H](C=O)NC(=O)OCC1=CC=CC=C1 9069AH [0,2,0,0,0,0|2,0,0]=4 32 B15R1.741 C[C@H](CI)NC(=O)OCC1=CC=CC=C1 8922AH [0,2,0,0,0,0|2,0,0]=4 33 B15R1.793 CCOC(=O)CCC1=CC=C(C#N)C=C1 2695AA [0,2,0,0,0,0|0,0,0]=2 34 B15R1.793 CCOC(=O)\C=C\C1=CC=C(CBr)C=C1 M428 [0,2,0,0,0,0|0,0,2]=4 35 B15R1.768 CCOC(=O)COC1=C(C=O)C=CC=C1 3001AE [0,2,0,0,0,0|1,0,0]=3 36 B13R2.26 CCCC1=CC2=C(C=CC=C2)C1 5540AC [0,0,0,1,1,0|2,0,0]=4 37 B15R2.389 O=C1CCC(C2=CC=CC=C2)C(=O)O1 Z2600 [0,0,0,1,0,1|1,0,1]=4 38 B15R2.548 O=C1CCC(C2=CC=CC=C2)CCO1 0310AQ [0,0,0,1,0,1|0,0,0]=2 39 B15R2.38 O=C1C=CCCN1CC2=CC=CC=C2 5440AA [0,1,0,1,0,0|2,0,0]=4 40 B15R2.1510 O=C1CCCC1CC2=CC=C(I)C=C2 Y6258 [0,1,0,1,0,0|1,0,0]=3 41 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,0,0,1,0|1,0,1]=4 42 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [0,0,0,0,2,0|2,0,0]=4 43 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [0,0,0,0,2,0|2,0,0]=4 44 B15R1.778 CCCC(=O)OCCOC1=CC=CC=C1 1589AB [0,0,0,0,0,2|1,0,0]=3