0 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 D88803 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 F20965 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 39329 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 D70180 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 F21443 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.24 CCCCC[C@H](O)C1=CC=CC=C1 D92145 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.24 CCCCOC(=O)C1=CN=CC=C1 D91638 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 AT15541 [1,0,0,0,0,0|1,0,2]=4 8 B15R1.882 CC(C)CCOC(=O)C1=CC=C(O)C=C1 D90818 [0,1,0,0,0,0|0,0,0]=1 9 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 29605 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 D88603 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.9094 C[N+](C)(C)CCSC(=O)C1=CC=CC=C1 T70051 [0,1,0,0,0,0|1,1,0]=3 12 B15R2.59 CC(C)[C@@H]1COC(C2=NC=CC=C2)=N1 D74619 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.59 CC(C)[C@@H]1COC(C2=NC=CC=C2)=N1 D74650 [0,0,0,1,0,0|2,0,0]=3 14 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [0,0,0,0,1,0|1,0,1]=3 15 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 11821 [0,0,0,0,1,0|2,0,1]=4 16 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 30609 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 D78507 [0,0,0,0,1,0|1,0,0]=2 18 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 N10791 [0,0,0,0,1,0|1,0,2]=4 19 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CX1085 [0,0,0,0,1,0|2,0,1]=4 20 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 D91902 [0,0,0,0,0,1|0,0,0]=1 21 B12R1.8 BrCCCOCC1=CC=CC=C1 33009 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.8 CCCCC#CC1=CC=CC=C1 D71011 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 OCCCOCC1=CC=CC=C1 29440 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 D88886 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.30 CC=NOC(=O)C1=CC=CC=C1 D88206 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.30 CCCCC(=O)C1=CC=CC=C1 AC8072 [2,0,0,0,0,0|0,0,0]=2 29 B12R1.30 CCCCN(N)C1=CC=CC=C1 D88913 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.30 CCCNC(=O)C1=CN=CC=C1 D83800 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.30 CCCOC(=O)C1=CC=CC=C1 D70394 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.30 CNCCC(=O)C1=CC=CC=C1 C74316 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 A11417 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 75520 [2,0,0,0,0,0|1,0,0]=3 35 B14R1.19 CCCCCC(=O)C1=CC=C(Br)C=C1 W13406 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.19 CCCCNC(=O)C1=NC=C(N)C=C1 D83074 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 W16695 [1,1,0,0,0,0|0,0,0]=2 38 B14R1.20 CCCCNC(=O)C1=CC(N)=CC=C1 D97596 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 F21466 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 D97838 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 D88799 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 D70361 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.46 CCCCOS(=O)(=O)C1=CC=CC=C1 D88592 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.1035 CCCCOC(=O)C1=C(N)C=CC=C1 D88268 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 D95343 [1,1,0,0,0,0|0,0,2]=4 46 B14R1.540 CC(C)C\C=C(\C=O)C1=CC=CC=C1 D70128 [0,1,0,0,1,0|0,0,1]=3 47 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 42673 [0,1,0,0,1,0|0,0,0]=2 48 B14R1.678 CN(C)CCC(=O)C1=CC=C(Br)C=C1 C16580 [0,1,0,0,1,0|1,0,0]=3 49 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 28841 [1,0,0,1,0,0|1,0,0]=3 50 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 52316 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.114 O=C(C1=NC=CC=C1)C2CCCC2 D83008 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 80845 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 P15671 [1,0,0,1,0,0|1,0,1]=4 54 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 48447 [0,0,0,1,1,0|0,0,0]=2 55 B16R2.236 C[C@H]1CN(C(=O)C2=CC=CC=C2)CCN1 73405 [0,0,0,1,0,1|1,0,0]=3 56 B16R2.120 NC1CCN(C(=O)C2=CC=CC=C2)CC1 W10100 [0,1,0,1,0,0|2,0,0]=4 57 B16R2.2888 CC(C)[C@@H]1N=C(C2=CC=CC=C2)OC1=O I59261 [0,1,0,1,0,0|1,0,1]=4 58 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [1,0,0,0,1,0|1,0,1]=4 59 B12R1.252 CN(C)CCOC1=CC=CC=C1 35711 [1,0,0,0,1,0|1,0,0]=3 60 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [1,0,0,0,1,0|1,0,1]=4 61 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [1,0,0,0,1,0|1,0,1]=4 62 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [1,0,0,0,1,0|1,0,1]=4 63 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 29561 [0,0,0,0,2,0|2,0,0]=4 64 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [0,0,0,0,2,0|1,0,1]=4 65 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 D91120 [0,0,0,0,2,0|0,0,0]=2 66 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 D88597 [0,0,0,0,2,0|0,0,0]=2 67 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 T70641 [0,0,0,0,2,0|1,0,0]=3 68 B14R1.158 NCCCNC(=O)NC1=CC=CC=C1 AR2483 [1,0,0,0,0,1|2,0,0]=4