0 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [1,0,0,0,0,0|1,0,0]=2 1 B15R1.500 CN(C)C(=O)CCC(=O)C1=CC=CC=C1 D94218 [0,1,0,0,0,0|2,0,1]=4 2 B15R2.612 O=C1CC(OC(=O)C2=CC=CC=C2)C1 37957 [0,0,0,1,0,0|1,0,1]=3 3 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [0,0,0,0,1,0|0,0,0]=1 4 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 S10635 [0,0,0,0,1,0|3,0,0]=4 5 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,0,0,0,1,0|1,0,0]=2 6 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [2,0,0,0,0,0|2,0,0]=4 7 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [2,0,0,0,0,0|1,0,1]=4 8 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [2,0,0,0,0,0|0,0,2]=4 9 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [2,0,0,0,0,0|2,0,0]=4 12 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 C73219 [1,1,0,0,0,0|1,0,0]=3 13 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C76320 [1,1,0,0,0,0|1,0,0]=3 14 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [1,1,0,0,0,0|1,0,0]=3 15 B14R1.160 CC(=O)COC(=O)C1=C(N)C=CC=C1 A12001 [0,1,0,0,1,0|1,0,1]=4 16 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 30691 [0,1,0,0,1,0|1,0,0]=3 17 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 30440 [0,1,0,0,1,0|1,0,0]=3 18 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75642 [0,1,0,0,1,0|1,0,0]=3 19 B14R1.3098 C[N+](C)(C)CCC(=O)C1=CC=CC=C1 C74257 [0,1,0,0,1,0|1,0,0]=3 20 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 P13021 [1,0,0,1,0,0|1,0,1]=4 21 B14R2.436 FC1CC(OCC2=CC=CC=C2)C1 80464 [1,0,0,1,0,0|1,0,1]=4 22 B14R2.436 N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 81155 [1,0,0,1,0,0|1,0,1]=4 23 B14R2.436 N[C@H]1C[C@H](OCC2=CC=CC=C2)C1 81379 [1,0,0,1,0,0|1,0,1]=4 24 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 P13161 [1,0,0,1,0,0|1,0,1]=4 25 B14R2.3018 C1=CC=C(COCC[C@H]2CO2)C=C1 A10556 [1,0,0,1,0,0|1,0,1]=4 26 B14R2.68 CN1CC=C(C2=CC=CC=C2)CC1 63934 [0,0,0,1,1,0|2,0,0]=4 27 B14R2.68 CN1CC=C(C2=CC=CC=C2)CC1 73421 [0,0,0,1,1,0|2,0,0]=4 28 B16R2.2829 CN1CC[C@H](OC(=O)C2=CC=CC=C2)C1 32505 [0,0,0,1,0,1|1,0,0]=3 29 B16R2.2876 O=C(C1=CC=CC=C1)N2CC(O)C(F)C2 D78881 [0,1,0,1,0,0|2,0,0]=4 30 B16R2.120 O=C(C1=CC=CC=C1)N2CCC(O)CC2 D77951 [0,1,0,1,0,0|2,0,0]=4 31 B16R2.2309 CC(C)(C)[C@@H]1COC(C2=NC=CC=C2)=N1 D74645 [0,1,0,1,0,0|2,0,0]=4 32 B16R2.2309 CC(C)(C)[C@@H]1COC(C2=NC=CC=C2)=N1 T70124 [0,1,0,1,0,0|2,0,0]=4 33 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,0,0,0,2,0|1,0,1]=4 34 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,0,0,0,2,0|1,0,1]=4 35 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,0,0,0,2,0|1,0,1]=4 36 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,0,0,0,2,0|1,0,1]=4 37 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,0,0,0,2,0|1,0,1]=4 38 B16R1.608 CN(C)CCCC(=O)OCC1=CC=CC=C1 D84442 [0,0,0,0,0,2|2,0,0]=4