0 B16R2.83538 CC(=O)C[N+]1=C(C2=C(C=CC=C2)C=C1)C MCULE-6520003369 [0,0,0,0,0,0|1,0,2]=3 1 B16R2.83538 CC(=O)C[N+]1=C(C2=C(C=CC=C2)C=C1)C MCULE-9582240988 [0,0,0,0,0,0|1,0,2]=3 2 B16R2.83538 CC1=[N+](CCC2=C1C=CC=C2)CC(=O)N MCULE-7554241341 [0,0,0,0,0,0|0,0,0]=0 3 B16R2.83538 CC1=[N+](CCC2=C1C=CC=C2)CC(=O)N MCULE-9652152563 [0,0,0,0,0,0|0,0,0]=0 4 B16R2.83538 NC(=O)CN1C=NC2=CC=CC=C2C1=O MCULE-9758389057 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.83538 NC(=O)CN1N=NC2=C(C1=O)C=CC=C2 MCULE-3804028223 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.83538 O=C(O)C=C1CCC2=CC=CC=C2C1=O MCULE-1780661295 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.83538 O=C(O)CN1CCC2=C(C1=O)C=CC=C2 MCULE-4351012341 [0,0,0,0,0,0|2,0,1]=3 8 B16R2.83538 O=C(O)CN1COC2=C(C1=O)C=CC=C2 MCULE-8346904713 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.1668 CC(=O)C[N+]1=CC2=C(C=CC=C2)C=C1 MCULE-1245067535 [1,0,0,0,0,0|1,0,2]=4 10 B15R2.1668 CC(=O)C[N+]1=CC2=C(C=CC=C2)C=C1 MCULE-5646684084 [1,0,0,0,0,0|1,0,2]=4 11 B15R2.1668 NC(=O)CC1=CC2=C(C=CC=C2)C=C1 MCULE-7802986673 [1,0,0,0,0,0|1,0,2]=4 12 B15R2.1668 NC(=O)CC1=CC2=CC=CC=C2N=C1 MCULE-1180644918 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.1668 NC(=O)CN1CCC2=CC=CC=C2C1 MCULE-1392545928 [1,0,0,0,0,0|0,0,2]=3 14 B15R2.1668 NC(=O)C[N+]1=CC2=C(C=CC=C2)C=C1 MCULE-3541277932 [1,0,0,0,0,0|0,0,2]=3 15 B15R2.1668 NC(=O)C[N+]1=CC2=C(C=CC=C2)C=C1 MCULE-6131124353 [1,0,0,0,0,0|0,0,2]=3 16 B15R2.1668 NC(=O)C[N+]1=CC2=C(C=CC=C2)C=C1 MCULE-6877033578 [1,0,0,0,0,0|0,0,2]=3 17 B15R2.1668 O=C(Cl)CN1CCC2=CC=CC=C2C1 MCULE-3811590915 [1,0,0,0,0,0|1,0,2]=4 18 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 MCULE-3384076179 [1,0,0,0,0,0|2,0,1]=4 19 B15R2.1668 O=C(O)CC1CCC2=CC=CC=C2N1 MCULE-2794596867 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.1668 O=C(O)CN1CCC2=C(C1)C=CC=C2 MCULE-1083161264 [1,0,0,0,0,0|1,0,2]=4 21 B15R2.1668 O=C(O)CN1CCC2=C(C1)C=CC=C2 MCULE-7545889042 [1,0,0,0,0,0|1,0,2]=4 22 B15R2.2220 NCCN1CCC2=C(C1=O)C=CC=C2 MCULE-3378751915 [1,0,0,0,0,0|1,0,2]=4 23 B15R2.2220 NCCN1CCC2=C(C1=O)C=CC=C2 MCULE-9324316239 [1,0,0,0,0,0|1,0,2]=4 24 B15R1.86 CCC1=CC=CC=C1C(=O)CCC(=O)O MCULE-2828820186 [0,0,1,0,0,0|3,0,0]=4 25 B15R1.86 COC1=CC=CC=C1C(=NNC(=O)N)C MCULE-7361594740 [0,0,1,0,0,0|2,0,1]=4 26 B17R3.31 O=C1C=C2CCC3=C(C2=NN1)C=CC=C3 MCULE-6212383593 [0,0,0,1,0,0|2,0,1]=4 27 B17R3.31 O=C1CC2CCC3=CC=CC=C3C2=NN1 MCULE-3414587038 [0,0,0,1,0,0|2,0,0]=3 28 B17R3.5362 CC12NC(=O)CN1CCC3=CC=CC=C23 MCULE-9951891852 [0,0,0,1,0,0|0,0,2]=3 29 B17R3.5362 C[C@]12NC(=O)CN1CCC3=C2C=CC=C3 MCULE-4078272799 [0,0,0,1,0,0|0,0,2]=3 30 B15R2.627 CC(=O)C1CCC2=C(C1=O)C=CC=C2 MCULE-6454073638 [0,0,0,0,1,0|3,0,0]=4 31 B15R2.627 CC1=C(CCC2=C1C=CC=C2)C(=O)O MCULE-5065538785 [0,0,0,0,1,0|2,0,0]=3 32 B15R2.629 CC(=O)CN1CC2=C(C1=O)C=CC=C2 MCULE-9326586058 [0,0,0,0,1,0|2,0,1]=4 33 B15R2.629 CC(=O)N[N+]1=C(C2=C(C1)C=CC=C2)N MCULE-5081441286 [0,0,0,0,1,0|3,0,0]=4 34 B15R2.629 CC(=O)N[N+]1=C(C2=C(C1)C=CC=C2)N MCULE-7594346916 [0,0,0,0,1,0|3,0,0]=4 35 B15R2.629 CC1=C(OC2=CC=CC=C12)CC(=O)O MCULE-9417857957 [0,0,0,0,1,0|3,0,0]=4 36 B15R2.629 CC1=C(SC2=C1C=CC=C2)CC(=O)O MCULE-9945089660 [0,0,0,0,1,0|3,0,0]=4 37 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 MCULE-1402715967 [0,0,0,0,1,0|3,0,0]=4 38 B15R2.629 O=C(O)CN1CC2=C(C1=O)C=CC=C2 MCULE-2296148847 [0,0,0,0,1,0|2,0,1]=4 39 B15R2.43323 CC(=O)C[N+]1=C(C2=CC=CN2CC1)C MCULE-7983575604 [0,0,0,0,1,0|2,0,0]=3 40 B15R2.43323 CC(=O)C[N+]1=C(C2=CC=CN2CC1)C MCULE-8171629116 [0,0,0,0,1,0|2,0,0]=3 41 B17R2.155902 O=C(O)CC1CCCC2=C(C1=O)C=CC=C2 MCULE-2298796010 [0,0,0,0,0,1|3,0,0]=4 42 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O MCULE-1602400546 [1,0,1,0,0,0|2,0,0]=4 43 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O MCULE-6526229546 [1,0,1,0,0,0|1,0,1]=4 44 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O MCULE-7638425892 [1,0,1,0,0,0|1,0,1]=4 45 B14R2.92 CC[N+]1=C(C2=C(C=CC=C2)CC1)C MCULE-4710049707 [2,0,0,0,0,0|0,0,1]=3 46 B14R2.92 CC[N+]1=C(C2=C(C=CC=C2)CC1)C MCULE-6865804685 [2,0,0,0,0,0|0,0,1]=3 47 B14R2.92 O=CC1=C(C2=CC=CC=C2CC1)Cl MCULE-3617359611 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.92 O=CC1CCC2=CC=CC=C2C1=O MCULE-3748697775 [2,0,0,0,0,0|2,0,0]=4 49 B16R1.12227 CC(=O)N(CCC1=CC=CC=C1)CC(=O)O MCULE-1764422595 [0,1,1,0,0,0|1,0,1]=4 50 B16R2.5347 NNC(=O)CN1CCC2=C(C1)C=CC=C2 MCULE-9607480261 [1,1,0,0,0,0|0,0,2]=4 51 B16R2.11975 NC(=O)CN1CCC2=C(C1)C=C(C=C2)N MCULE-6777909065 [1,1,0,0,0,0|0,0,2]=4 52 B16R2.12029 CC1=CC=C2NC(=C(C2=C1)C)CC(=O)N MCULE-6629733149 [0,1,0,0,1,0|2,0,0]=4 53 B16R2.15329 CC(=O)C[N+]1=C(C2=CC=C(N2CC1)C)C MCULE-6810446933 [0,1,0,0,1,0|2,0,0]=4 54 B16R2.15329 CC(=O)C[N+]1=C(C2=CC=C(N2CC1)C)C MCULE-7693475021 [0,1,0,0,1,0|2,0,0]=4 55 B18R2.59650 CC1=C2OCCN(C(=O)C2=CC=C1)CC(=O)N MCULE-4363433257 [0,1,0,0,0,1|1,0,1]=4 56 B16R2.179941 NC(=O)NN=C1CCCC2=C1C=CC=C2 MCULE-4193907617 [0,0,1,1,0,0|1,0,1]=4 57 B16R2.157 NC(=O)CN1CCC(C1)C2=CC=CC=C2 MCULE-9534833741 [0,0,1,1,0,0|0,0,2]=4 58 B16R2.252 O=C1CN(CCN1)CCC2=CC=CC=C2 MCULE-3103848195 [0,0,1,1,0,0|0,0,2]=4 59 B16R3.2637 O=C1CC2=C(CN1)C3=C(N2)C=CC=C3 MCULE-3979644775 [0,0,0,1,1,0|2,0,0]=4 60 B16R3.13500 O=C1CC2C(=O)C3=C(C2N1)C=CC=C3 MCULE-5950759315 [0,0,0,1,1,0|2,0,0]=4 61 B18R3.3159 O=C1CC2CCCC3=CC=CC=C3C2=NN1 MCULE-2288826861 [0,0,0,1,0,1|2,0,0]=4 62 B18R3.810502 CC12NC(=O)C[N+]1(CCC3=CC=CC=C23)C MCULE-6569680639 [0,1,0,1,0,0|0,0,2]=4 63 B18R3.810502 CC12NC(=O)C[N+]1(CCC3=CC=CC=C23)C MCULE-7299977905 [0,1,0,1,0,0|0,0,2]=4 64 B14R2.2 NC(=O)C[N+]1=CSC2=C1C=CC=C2 MCULE-2346106431 [1,0,0,0,1,0|1,0,1]=4 65 B14R2.2 NC(=O)C[N+]1=CSC2=C1C=CC=C2 MCULE-3433199793 [1,0,0,0,1,0|1,0,1]=4 66 B14R2.2 O=C(Cl)CN1CCC2=CC=CC=C12 MCULE-6402563233 [1,0,0,0,1,0|1,0,1]=4 67 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 MCULE-1961521456 [1,0,0,0,1,0|2,0,0]=4 68 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 MCULE-2787979324 [1,0,0,0,1,0|1,0,1]=4 69 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 MCULE-5770674919 [1,0,0,0,1,0|1,0,1]=4 70 B14R2.2 O=C([O-])CN1CCC2=C1C=CC=C2 MCULE-5460101865 [1,0,0,0,1,0|1,0,1]=4 71 B14R2.768 NC(=O)CN1CC2=C(C1)C=CC=C2 MCULE-9326829727 [1,0,0,0,1,0|0,0,2]=4 72 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 MCULE-1605864133 [1,0,0,0,1,0|2,0,0]=4 73 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)OC1 MCULE-2921215222 [1,0,0,0,1,0|2,0,0]=4 74 B14R2.781 NC(=O)C1CCC2=C(O1)C=CC=C2 MCULE-5609359439 [1,0,0,0,1,0|2,0,0]=4 75 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 MCULE-5370876580 [1,0,0,0,1,0|2,0,0]=4 76 B14R2.450 CC1=C(CC2=C1C=CC=C2)C(=O)O MCULE-3711440126 [0,0,0,0,2,0|2,0,0]=4 77 B14R2.450 CC1=C(CC2=CC=CC=C12)C(=O)Cl MCULE-4380689132 [0,0,0,0,2,0|2,0,0]=4 78 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)N MCULE-3064868366 [0,0,0,0,2,0|2,0,0]=4 79 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)N MCULE-4357165981 [0,0,0,0,2,0|2,0,0]=4 80 B16R2.1337 NC(=O)CN1CCOC2=C(C1)C=CC=C2 MCULE-3662459458 [1,0,0,0,0,1|0,0,2]=4