0 B14R1.158 C#CCCNC(=O)NC1=CC=CC=C1 MCULE-6975823172 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.158 CC(CC1=CC=CC=C1)NCCCCl MCULE-5606187384 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.158 CC(CC1=CC=CC=C1)NCCCCl MCULE-5675500300 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 MCULE-4971254938 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.158 CCCCNC(C)CC1=CC=CC=C1 MCULE-2384394281 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.158 CCCCNC(C)CC1=CC=CC=C1 MCULE-8644209849 [0,0,0,0,0,0|1,0,1]=2 6 B14R1.158 CN(CCCCN)CC1=CC=CC=C1 MCULE-1010496311 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.158 CNCCCN(C)CC1=CC=CC=C1 MCULE-5756936355 [0,0,0,0,0,0|4,0,0]=4 8 B14R1.158 COCCCC(N)CC1=CC=CC=C1 MCULE-3571120058 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.158 COCCNC(=O)CC1=CC=CC=C1 MCULE-2071026786 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.158 NCCCNC(=O)CC1=CC=CC=C1 MCULE-4605051290 [0,0,0,0,0,0|1,0,3]=4 11 B14R1.158 O=C(CC1=CC=CC=C1)NCCCO MCULE-3385046487 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.28 BrCCCCCCC1=CC=CC=C1 MCULE-1041458078 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.28 C#CCCCOCC1=CC=CC=C1 MCULE-8536172131 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.28 C=CCCCCCC1=CC=CC=C1 MCULE-7746447332 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.28 C=CCCNCCC1=CC=CC=C1 MCULE-9178516652 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.28 C=CCCNOCC1=CC=CC=C1 MCULE-2030849934 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.28 C=CCCNOCC1=CC=CC=C1 MCULE-2880457601 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.28 CCCCCCCC1=CC=CC=C1 MCULE-1420418528 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.28 CCCCNCCC1=CC=CC=C1 MCULE-6672387413 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.28 CCCCNCCC1=CC=CC=C1 MCULE-8439409843 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.28 CCCCNOCC1=CC=CC=C1 MCULE-8661808634 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.28 COCCNCCC1=CC=CC=C1 MCULE-2429573891 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.28 COCCNCCC1=CC=CC=C1 MCULE-7938501319 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.28 COCCNCCC1=CC=NC=C1 MCULE-2672838344 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.28 COCCNCCC1=NC=CC=C1 MCULE-2708550069 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.28 ClCCCCCCC1=CC=CC=C1 MCULE-4425387429 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.28 ClCCCOCCC1=CC=CC=C1 MCULE-3189448085 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.28 N#CCCCCOC1=CC=CC=C1 MCULE-6736334367 [1,0,0,0,0,0|2,0,0]=3 29 B13R1.28 N#CCCCNCC1=CC=CC=C1 MCULE-5729615018 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.28 N#CCCCNCC1=CC=CC=C1 MCULE-6326685413 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.28 N#CCCCOCC1=CC=CC=C1 MCULE-3965277903 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.28 N#CCCNCCC1=CC=CC=C1 MCULE-2513014321 [1,0,0,0,0,0|0,0,0]=1 33 B13R1.28 N#CCCNCCC1=CC=CC=C1 MCULE-4919966393 [1,0,0,0,0,0|0,0,0]=1 34 B13R1.28 N#CCCOCCC1=CC=CC=N1 MCULE-1627474000 [1,0,0,0,0,0|2,0,0]=3 35 B13R1.28 N#CSCCNCC1=CC=CC=C1 MCULE-4429545476 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.28 NCCCCCCC1=CC=CC=C1 MCULE-7765181229 [1,0,0,0,0,0|1,0,2]=4 37 B13R1.28 NCCCOCCC1=CC=CC=C1 MCULE-8485133532 [1,0,0,0,0,0|1,0,2]=4 38 B13R1.28 O=CCCCCCC1=CC=CC=C1 MCULE-8255719806 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.28 OCCCCCCC1=CC=CC=C1 MCULE-6285536612 [1,0,0,0,0,0|2,0,1]=4 40 B13R1.28 OCCCOCCC1=CC=CC=C1 MCULE-6329398726 [1,0,0,0,0,0|2,0,1]=4 41 B13R1.44 C#CCCN(C)CC1=CC=CC=C1 MCULE-5512783296 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.44 C#CCNC(=O)CC1=CC=CC=C1 MCULE-6252681137 [1,0,0,0,0,0|1,0,2]=4 43 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 MCULE-1120354174 [1,0,0,0,0,0|0,0,1]=2 44 B13R1.44 C#CCN[C@H](C)CC1=CC=CC=C1 MCULE-2848627886 [1,0,0,0,0,0|0,0,1]=2 45 B13R1.44 C#CCN[C@H](C)CC1=CC=CC=C1 MCULE-7891233976 [1,0,0,0,0,0|0,0,1]=2 46 B13R1.44 CCCCC(O)CC1=CC=CC=C1 MCULE-1622619125 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.44 CCCCN(C)CC1=CC=CC=C1 MCULE-3049716506 [1,0,0,0,0,0|2,0,1]=4 48 B13R1.44 CCCCN(C)CC1=CC=CC=C1 MCULE-6245586199 [1,0,0,0,0,0|2,0,1]=4 49 B13R1.44 CCCNC(C)CC1=CC=CC=C1 MCULE-8664334660 [1,0,0,0,0,0|0,0,1]=2 50 B13R1.44 CCCNC(C)CC1=CC=CC=C1 MCULE-8817958524 [1,0,0,0,0,0|0,0,1]=2 51 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 MCULE-5807751349 [1,0,0,0,0,0|1,0,0]=2 52 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 MCULE-8251854768 [1,0,0,0,0,0|1,0,0]=2 53 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 MCULE-5925068697 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 MCULE-9303600891 [1,0,0,0,0,0|2,0,1]=4 55 B13R1.44 CN(CCCN)CC1=CC=CC=C1 MCULE-1379736579 [1,0,0,0,0,0|1,0,2]=4 56 B13R1.44 CN(CCCN)CC1=CC=CC=C1 MCULE-4814188828 [1,0,0,0,0,0|1,0,2]=4 57 B13R1.44 CN(CCCO)CC1=CC=CC=C1 MCULE-7191802245 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.44 CNCCN(C)CC1=CC=CC=C1 MCULE-3214282163 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.44 N#CCNC(=O)CC1=CC=CC=C1 MCULE-2482334914 [1,0,0,0,0,0|1,0,1]=3 60 B13R1.44 NC(CCCO)CC1=CC=CC=C1 MCULE-4024748371 [1,0,0,0,0,0|2,0,1]=4 61 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 MCULE-4086211834 [1,0,0,0,0,0|1,0,2]=4 62 B13R1.44 O=C(CC1=CC=CC=C1)NCCCl MCULE-6652712797 [1,0,0,0,0,0|2,0,1]=4 63 B13R1.44 O=C(CC1=CC=CC=C1)NCCO MCULE-5675818960 [1,0,0,0,0,0|2,0,1]=4 64 B15R1.128 CCCCCC(C)CC1=CC=C(C=C1)N MCULE-6121130082 [0,1,0,0,0,0|2,0,1]=4 65 B15R1.128 COCCNC(C)CC1=CC=C(C=C1)F MCULE-6434913767 [0,1,0,0,0,0|2,0,0]=3 66 B15R1.129 C#CCCNC(=O)CC1=CC=CC(=C1)C MCULE-3195013546 [0,1,0,0,0,0|2,0,1]=4 67 B15R1.551 CC(OC1=CC=CC=C1)C(=O)NCC#N MCULE-8189686304 [0,1,0,0,0,0|3,0,0]=4 68 B15R1.551 CN(CCC#N)C(=O)NC1=CC=CC=C1 MCULE-9735501703 [0,1,0,0,0,0|2,0,1]=4 69 B15R1.809 CC(CC1=CC=CC=C1)NC(=O)CCCl MCULE-6069204507 [0,1,0,0,0,0|1,0,2]=4 70 B15R2.15 C#CC1CCN(C1)CC2=CC=CC=C2 MCULE-6440421604 [0,0,0,1,0,0|3,0,0]=4 71 B15R2.15 N#CC1CCN(C1)CC2=CC=CC=C2 MCULE-4386183122 [0,0,0,1,0,0|2,0,0]=3 72 B15R2.15 N#CC1CCN(C1)CC2=CC=CC=C2 MCULE-4992981223 [0,0,0,1,0,0|2,0,0]=3 73 B15R2.15 N#C[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-6675320782 [0,0,0,1,0,0|2,0,0]=3 74 B15R2.15 N#C[C@@H]1CCN(C1)CC2=CC=CC=C2 MCULE-8044535777 [0,0,0,1,0,0|2,0,0]=3 75 B15R2.15 N#C[C@H]1CCN(C1)CC2=CC=CC=C2 MCULE-9828971394 [0,0,0,1,0,0|2,0,0]=3 76 B15R2.31 CN1CCNC(C1)CC2=CC=CC=C2 MCULE-7096007232 [0,0,0,1,0,0|2,0,0]=3 77 B15R2.31 CN1CCNC(C1)CC2=CC=CC=C2 MCULE-9473206212 [0,0,0,1,0,0|2,0,0]=3 78 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-7996784882 [0,0,0,1,0,0|2,0,0]=3 79 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-8523388301 [0,0,0,1,0,0|2,0,0]=3 80 B15R2.31 CN1CCN[C@@H](C1)CC2=CC=CC=C2 MCULE-9013556329 [0,0,0,1,0,0|2,0,0]=3 81 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-1994606386 [0,0,0,1,0,0|2,0,0]=3 82 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-2222737729 [0,0,0,1,0,0|2,0,0]=3 83 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-2272703179 [0,0,0,1,0,0|2,0,0]=3 84 B15R2.31 CN1CCN[C@H](C1)CC2=CC=CC=C2 MCULE-6469865199 [0,0,0,1,0,0|2,0,0]=3 85 B15R2.31 O=C1CCCC(C1)CC2=CC=CC=C2 MCULE-3727571662 [0,0,0,1,0,0|2,0,1]=4 86 B15R2.31 O=C1CCNC(C1)CC2=CC=CC=C2 MCULE-6725854916 [0,0,0,1,0,0|1,0,1]=3 87 B15R2.31 O=C1CCNC(C1)CC2=CC=CC=C2 MCULE-8752288618 [0,0,0,1,0,0|1,0,1]=3 88 B15R2.1435 CC1=C(C2=C(N1)C=CC=C2)CCC#N MCULE-3534539435 [0,0,0,1,0,0|2,0,1]=4 89 B15R2.1435 CC1=CC2=C(N1CCC#N)C=CC=C2 MCULE-7144461035 [0,0,0,1,0,0|0,0,2]=3 90 B15R2.1435 CC1=NC2=C(N1CCC#N)C=CC=C2 MCULE-2146179019 [0,0,0,1,0,0|1,0,1]=3 91 B15R2.1435 CC1CC2=C(N1CCCN)C=CC=C2 MCULE-3815376838 [0,0,0,1,0,0|0,0,2]=3 92 B15R2.1435 N#CCCN1C(=NC2=C1C=CC=C2)Cl MCULE-9559282361 [0,0,0,1,0,0|2,0,1]=4 93 B15R2.1435 N#CCCN1C(=NC2=C1C=CC=C2)S MCULE-1104151706 [0,0,0,1,0,0|2,0,1]=4 94 B15R2.1435 N#CCCN1C(=O)OC2=C1C=CC=C2 MCULE-6593260813 [0,0,0,1,0,0|2,0,1]=4 95 B15R2.1435 N#CCCN1C(=O)SC2=CC=CC=C12 MCULE-5510356801 [0,0,0,1,0,0|2,0,1]=4 96 B15R2.1435 N#CCCN1C(=S)OC2=C1C=CC=C2 MCULE-9773739072 [0,0,0,1,0,0|2,0,1]=4 97 B15R2.1690 N#CC1CN1C(=O)NC2=CC=CC=C2 MCULE-2636153776 [0,0,0,1,0,0|2,0,1]=4 98 B15R2.2167 C1=CC=C(N=C1)CC2CCCCCN2 MCULE-8091801609 [0,0,0,1,0,0|2,0,1]=4 99 B15R2.2203 COCCNC1CC2=C(C1)C=CC=C2 MCULE-7849649795 [0,0,0,1,0,0|2,0,0]=3 100 B13R1.24 C#CCCNC(=O)C1=CC=CC=C1 MCULE-2131865120 [0,0,0,0,1,0|2,0,1]=4 101 B13R1.24 C=CCCNC(C)C1=CC=CC=C1 MCULE-6934280126 [0,0,0,0,1,0|1,0,1]=3 102 B13R1.24 C=CCCN[C@@H](C)C1=CC=CC=C1 MCULE-3202048874 [0,0,0,0,1,0|1,0,1]=3 103 B13R1.24 C=CCCN[C@H](C)C1=CC=CC=C1 MCULE-2340054517 [0,0,0,0,1,0|1,0,1]=3 104 B13R1.24 C=CCCN[C@H](C)C1=CC=CC=C1 MCULE-2343681928 [0,0,0,0,1,0|1,0,1]=3 105 B13R1.24 CC(NCCC#N)C1=CC=CC=C1 MCULE-5022639190 [0,0,0,0,1,0|0,0,0]=1 106 B13R1.24 CC(NCCCN)C1=CC=CC=C1 MCULE-4263276376 [0,0,0,0,1,0|0,0,2]=3 107 B13R1.24 CC(NCCCO)C1=CC=CC=C1 MCULE-1723943049 [0,0,0,0,1,0|1,0,1]=3 108 B13R1.24 CC(NCCCO)C1=CC=CN=C1 MCULE-5572409655 [0,0,0,0,1,0|2,0,1]=4 109 B13R1.24 CC(NCCCO)C1=CC=CN=C1 MCULE-6210527206 [0,0,0,0,1,0|2,0,1]=4 110 B13R1.24 CC(NCCCO)C1=CC=NC=C1 MCULE-6847550092 [0,0,0,0,1,0|2,0,1]=4 111 B13R1.24 CC(NCCCO)C1=NC=CC=C1 MCULE-1378019595 [0,0,0,0,1,0|2,0,1]=4 112 B13R1.24 CC(NCCCO)C1=NC=CC=C1 MCULE-4737757805 [0,0,0,0,1,0|2,0,1]=4 113 B13R1.24 CC(OCCCN)C1=CC=CC=C1 MCULE-4762195303 [0,0,0,0,1,0|1,0,2]=4 114 B13R1.24 CCCCNC(C)C1=CC=CC=C1 MCULE-1129178205 [0,0,0,0,1,0|1,0,1]=3 115 B13R1.24 CCCCNC(C)C1=CC=CC=C1 MCULE-1434309674 [0,0,0,0,1,0|1,0,1]=3 116 B13R1.24 COCCNC(C)C1=CC=CC=C1 MCULE-6674569644 [0,0,0,0,1,0|2,0,0]=3 117 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 MCULE-4015528347 [0,0,0,0,1,0|2,0,1]=4 118 B13R1.24 N#CCCCC(N)C1=CC=CC=C1 MCULE-8081626162 [0,0,0,0,1,0|2,0,0]=3 119 B13R1.24 N#CCCCC(N)C1=CC=CC=C1 MCULE-8868588145 [0,0,0,0,1,0|2,0,0]=3 120 B13R1.24 N#CCCNC(=O)C1=CC=NC=C1 MCULE-4926570883 [0,0,0,0,1,0|2,0,1]=4 121 B15R1.78 C#CCCNC(=O)NCC1=CC=CC=C1 MCULE-8434805292 [0,0,0,0,0,1|2,0,1]=4 122 B15R1.78 C#CCCNC(=O)OCC1=CC=CC=C1 MCULE-5968904541 [0,0,0,0,0,1|2,0,1]=4 123 B15R1.78 CC(CCC1=CC=CC=C1)NCCC#N MCULE-2566626330 [0,0,0,0,0,1|0,0,0]=1 124 B15R1.78 CC(CCC1=CC=CC=C1)NCCC#N MCULE-5898306117 [0,0,0,0,0,1|0,0,0]=1 125 B15R1.78 CC(COC1=CC=CC=C1)OCCCO MCULE-6838781385 [0,0,0,0,0,1|2,0,1]=4 126 B15R1.78 CCCCNC(O)COC1=CC=CC=C1 MCULE-7435540511 [0,0,0,0,0,1|2,0,1]=4 127 B15R1.78 N#CCCNC(=O)OCC1=CC=CC=C1 MCULE-3550324917 [0,0,0,0,0,1|1,0,1]=3 128 B12R1.8 BrCCCCCC1=CC=CC=C1 MCULE-2935273353 [2,0,0,0,0,0|1,0,1]=4 129 B12R1.8 BrCCCNCC1=CC=CC=C1 MCULE-8593877267 [2,0,0,0,0,0|1,0,1]=4 130 B12R1.8 BrCCNCCC1=CC=NC=C1 MCULE-1196476708 [2,0,0,0,0,0|2,0,0]=4 131 B12R1.8 BrCCNCCC1=CC=NC=C1 MCULE-5909688000 [2,0,0,0,0,0|2,0,0]=4 132 B12R1.8 C#CCCCCC1=CC=CC=C1 MCULE-8434689989 [2,0,0,0,0,0|1,0,0]=3 133 B12R1.8 C#CCCOCC1=CC=CC=C1 MCULE-9928587469 [2,0,0,0,0,0|2,0,0]=4 134 B12R1.8 C#CCNCCC1=CC=CC=C1 MCULE-3304911272 [2,0,0,0,0,0|0,0,1]=3 135 B12R1.8 C#CCNCCC1=CC=CC=C1 MCULE-5510429225 [2,0,0,0,0,0|0,0,1]=3 136 B12R1.8 C#CCNOCC1=CC=CC=C1 MCULE-8553187739 [2,0,0,0,0,0|1,0,1]=4 137 B12R1.8 C=CCCCCC1=CC=CC=C1 MCULE-5742507683 [2,0,0,0,0,0|1,0,1]=4 138 B12R1.8 C=CCCNCC1=CC=CC=C1 MCULE-6303257398 [2,0,0,0,0,0|1,0,1]=4 139 B12R1.8 C=CCNCCC1=CC=CC=C1 MCULE-2958799596 [2,0,0,0,0,0|0,0,2]=4 140 B12R1.8 C=CCNCCC1=CC=CC=C1 MCULE-5942102421 [2,0,0,0,0,0|0,0,2]=4 141 B12R1.8 CC#CCCCC1=CC=CC=C1 MCULE-9561802828 [2,0,0,0,0,0|1,0,1]=4 142 B12R1.8 CC#CCNCC1=CC=CC=C1 MCULE-7231915740 [2,0,0,0,0,0|1,0,1]=4 143 B12R1.8 CC#CCNCC1=CC=CC=C1 MCULE-8067161479 [2,0,0,0,0,0|1,0,1]=4 144 B12R1.8 CCCCCCC1=CC=CC=C1 MCULE-4666294977 [2,0,0,0,0,0|1,0,1]=4 145 B12R1.8 CCCCNCC1=CC=CC=C1 MCULE-7692097420 [2,0,0,0,0,0|1,0,1]=4 146 B12R1.8 CCCNCCC1=CC=CC=C1 MCULE-3633023803 [2,0,0,0,0,0|0,0,1]=3 147 B12R1.8 CCCNCCC1=CC=CC=C1 MCULE-7870883456 [2,0,0,0,0,0|0,0,1]=3 148 B12R1.8 CCCNCCC1=NC=CC=C1 MCULE-3678488808 [2,0,0,0,0,0|1,0,1]=4 149 B12R1.8 CCCNOCC1=CC=CC=C1 MCULE-1464878260 [2,0,0,0,0,0|1,0,1]=4 150 B12R1.8 CNCCCCC1=CC=CC=C1 MCULE-1885836061 [2,0,0,0,0,0|2,0,0]=4 151 B12R1.8 CNCCCCC1=CC=CC=C1 MCULE-8773540616 [2,0,0,0,0,0|2,0,0]=4 152 B12R1.8 CNCCNCC1=CC=CC=C1 MCULE-2485806250 [2,0,0,0,0,0|2,0,0]=4 153 B12R1.8 COCCNCC1=CC=CC=C1 MCULE-1852623533 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.8 COCCNCC1=CC=CC=C1 MCULE-4595041757 [2,0,0,0,0,0|2,0,0]=4 155 B12R1.8 ClCCCCCC1=CC=CC=C1 MCULE-4049620045 [2,0,0,0,0,0|1,0,1]=4 156 B12R1.8 ClCCCNCC1=CC=CC=C1 MCULE-8040955409 [2,0,0,0,0,0|1,0,1]=4 157 B12R1.8 ClCCCNCC1=CC=CC=C1 MCULE-9569468273 [2,0,0,0,0,0|1,0,1]=4 158 B12R1.8 ICCCCCC1=CC=CC=C1 MCULE-4126724292 [2,0,0,0,0,0|1,0,1]=4 159 B12R1.8 N#CCCCOC1=CC=CC=C1 MCULE-9673747596 [2,0,0,0,0,0|1,0,0]=3 160 B12R1.8 N#CCCCOC1=NC=CC=C1 MCULE-8235679190 [2,0,0,0,0,0|2,0,0]=4 161 B12R1.8 N#CCCCSC1=CC=CC=C1 MCULE-6612191080 [2,0,0,0,0,0|1,0,0]=3 162 B12R1.8 N#CCCNCC1=CC=CC=C1 MCULE-4395583351 [2,0,0,0,0,0|0,0,0]=2 163 B12R1.8 N#CCCNCC1=CC=CC=C1 MCULE-7104754395 [2,0,0,0,0,0|0,0,0]=2 164 B12R1.8 N#CCCNCC1=CC=NC=C1 MCULE-6210657369 [2,0,0,0,0,0|1,0,0]=3 165 B12R1.8 N#CCCNCC1=CN=CC=C1 MCULE-1239174895 [2,0,0,0,0,0|1,0,0]=3 166 B12R1.8 N#CCCNCC1=NC=CC=C1 MCULE-3672651878 [2,0,0,0,0,0|1,0,0]=3 167 B12R1.8 N#CCCOCC1=CC=CC=C1 MCULE-6143684917 [2,0,0,0,0,0|1,0,0]=3 168 B12R1.8 N#CCCSCC1=CC=CC=C1 MCULE-4975528963 [2,0,0,0,0,0|1,0,0]=3 169 B12R1.8 N#CCSCCC1=CC=CC=C1 MCULE-9676685367 [2,0,0,0,0,0|1,0,0]=3 170 B12R1.8 N#N=NCCCC1=CC=CC=C1 MCULE-8580951068 [2,0,0,0,0,0|2,0,0]=4 171 B12R1.8 NCCCCCC1=CC=CC=C1 MCULE-8207103794 [2,0,0,0,0,0|0,0,2]=4 172 B12R1.8 NCCCNCC1=CC=CC=C1 MCULE-1902775325 [2,0,0,0,0,0|0,0,2]=4 173 B12R1.8 NCCCNCC1=CC=CC=C1 MCULE-2474672632 [2,0,0,0,0,0|0,0,2]=4 174 B12R1.8 NCCNCCC1=CC=CC=C1 MCULE-3632090498 [2,0,0,0,0,0|0,0,1]=3 175 B12R1.8 NCCNCCC1=CC=CC=C1 MCULE-4054650445 [2,0,0,0,0,0|0,0,1]=3 176 B12R1.8 NCCNCCC1=CC=NC=C1 MCULE-4823477315 [2,0,0,0,0,0|1,0,1]=4 177 B12R1.8 NCCNOCC1=CC=CC=C1 MCULE-7464972463 [2,0,0,0,0,0|1,0,1]=4 178 B12R1.8 NCCNOCC1=CC=CC=C1 MCULE-7729343544 [2,0,0,0,0,0|1,0,1]=4 179 B12R1.8 NCCOCCC1=CC=CC=C1 MCULE-1515023680 [2,0,0,0,0,0|1,0,1]=4 180 B12R1.8 NCCOCCC1=CC=CC=C1 MCULE-2912577841 [2,0,0,0,0,0|1,0,1]=4 181 B12R1.8 NOCCCCC1=CC=CC=C1 MCULE-1592558959 [2,0,0,0,0,0|1,0,1]=4 182 B12R1.8 O=CCCCCC1=CC=CC=C1 MCULE-3746966374 [2,0,0,0,0,0|1,0,1]=4 183 B12R1.8 OCCCCCC1=CC=CC=C1 MCULE-9291934637 [2,0,0,0,0,0|1,0,1]=4 184 B12R1.8 OCCCNCC1=CC=CC=C1 MCULE-2323633803 [2,0,0,0,0,0|1,0,1]=4 185 B12R1.8 OCCCNCC1=CC=CC=C1 MCULE-3934503574 [2,0,0,0,0,0|1,0,1]=4 186 B12R1.8 OCCNCCC1=CC=CC=C1 MCULE-5313727578 [2,0,0,0,0,0|1,0,0]=3 187 B12R1.8 OCCNCCC1=CC=NC=C1 MCULE-1153926410 [2,0,0,0,0,0|2,0,0]=4 188 B12R1.8 OCCNCCC1=CC=NC=C1 MCULE-1603175104 [2,0,0,0,0,0|2,0,0]=4 189 B12R1.8 OCCNCCC1=CC=NC=C1 MCULE-2364284269 [2,0,0,0,0,0|2,0,0]=4 190 B12R1.8 OCCOCCC1=CC=CC=C1 MCULE-9734786153 [2,0,0,0,0,0|2,0,0]=4 191 B12R1.8 ONCCCCC1=CC=CC=C1 MCULE-2550804844 [2,0,0,0,0,0|2,0,0]=4 192 B12R1.8 ONCCCCC1=CC=CC=C1 MCULE-4390440585 [2,0,0,0,0,0|2,0,0]=4 193 B12R1.32 C#CCC(N)CC1=CC=CC=C1 MCULE-3112810100 [2,0,0,0,0,0|1,0,1]=4 194 B12R1.32 C#CCC(N)CC1=CC=CC=C1 MCULE-6074442642 [2,0,0,0,0,0|1,0,1]=4 195 B12R1.32 C#CCC(O)CC1=CC=CC=C1 MCULE-1220741187 [2,0,0,0,0,0|1,0,1]=4 196 B12R1.32 C#CCN(C)CC1=CC=CC=C1 MCULE-3540521287 [2,0,0,0,0,0|1,0,1]=4 197 B12R1.32 C#CCN(C)CC1=CC=CC=C1 MCULE-9689491047 [2,0,0,0,0,0|1,0,1]=4 198 B12R1.32 C=CCC(C)CC1=CC=CC=C1 MCULE-2405722964 [2,0,0,0,0,0|0,0,2]=4 199 B12R1.32 CC(CC1=CC=CC=C1)NC=O MCULE-4588183843 [2,0,0,0,0,0|1,0,1]=4 200 B12R1.32 CCCC(C)NC1=CC=CC=C1 MCULE-4080915511 [2,0,0,0,0,0|1,0,1]=4 201 B12R1.32 CCCC(N)CC1=CC=CC=C1 MCULE-6420973885 [2,0,0,0,0,0|1,0,1]=4 202 B12R1.32 CCCC(O)CC1=CC=CC=C1 MCULE-4275806844 [2,0,0,0,0,0|1,0,1]=4 203 B12R1.32 CCNC(C)CC1=CC=CC=C1 MCULE-2397384428 [2,0,0,0,0,0|0,0,0]=2 204 B12R1.32 CCNC(C)CC1=CC=CC=C1 MCULE-9107745935 [2,0,0,0,0,0|0,0,0]=2 205 B12R1.32 CN(CC#N)CC1=CC=CC=C1 MCULE-7931747407 [2,0,0,0,0,0|1,0,0]=3 206 B12R1.32 CN(CCBr)CC1=CC=CC=C1 MCULE-9573295275 [2,0,0,0,0,0|2,0,0]=4 207 B12R1.32 CN(CCBr)CC1=CC=CC=C1 MCULE-9695599768 [2,0,0,0,0,0|2,0,0]=4 208 B12R1.32 CN(CCCl)CC1=CC=CC=C1 MCULE-3929755592 [2,0,0,0,0,0|2,0,0]=4 209 B12R1.32 CN(CCCl)CC1=CC=CC=C1 MCULE-4281074175 [2,0,0,0,0,0|2,0,0]=4 210 B12R1.32 CN(CCN)CC1=CC=CC=C1 MCULE-5883834716 [2,0,0,0,0,0|1,0,1]=4 211 B12R1.32 CN(CCO)CC1=CC=CC=C1 MCULE-9573030800 [2,0,0,0,0,0|2,0,0]=4 212 B12R1.32 CN(CCS)CC1=CC=CC=C1 MCULE-2620441480 [2,0,0,0,0,0|2,0,0]=4 213 B12R1.32 CNCC(C)CC1=CC=CC=C1 MCULE-2092491375 [2,0,0,0,0,0|1,0,1]=4 214 B12R1.32 CONC(C)CC1=CC=CC=C1 MCULE-9834036598 [2,0,0,0,0,0|1,0,0]=3 215 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 MCULE-9523128422 [2,0,0,0,0,0|1,0,1]=4 216 B12R1.32 NC(CCO)CC1=CC=CC=C1 MCULE-2804195065 [2,0,0,0,0,0|2,0,0]=4 217 B12R1.32 NC(CCO)CC1=CC=CC=C1 MCULE-5844933369 [2,0,0,0,0,0|2,0,0]=4 218 B14R1.14 CC1=CC=C(C=C1)C=NNCCC#N MCULE-2213951227 [1,1,0,0,0,0|1,0,1]=4 219 B14R1.14 N#CCCCCOC1=CC=C(C=C1)F MCULE-6918840938 [1,1,0,0,0,0|2,0,0]=4 220 B14R1.26 N#CCCCCOC1=CC=CC(=C1)F MCULE-8723163844 [1,1,0,0,0,0|2,0,0]=4 221 B14R1.38 CCCCNCC(C)C1=CC=CC=C1 MCULE-2911966163 [1,1,0,0,0,0|1,0,1]=4 222 B14R1.38 CCCCNCC(C)C1=CC=CC=C1 MCULE-4628355510 [1,1,0,0,0,0|1,0,1]=4 223 B14R1.38 N#CCCCCC(=O)C1=CC=CC=C1 MCULE-4630108390 [1,1,0,0,0,0|1,0,1]=4 224 B14R1.123 CCCCCNCCC1=CC=CC=C1 MCULE-9079377193 [1,1,0,0,0,0|1,0,1]=4 225 B14R1.123 CCCCNCCCC1=CC=CC=C1 MCULE-1280653142 [1,1,0,0,0,0|1,0,1]=4 226 B14R1.123 CCCCNCCCC1=CC=CC=C1 MCULE-8669130835 [1,1,0,0,0,0|1,0,1]=4 227 B14R1.123 CNCCCNCCC1=CC=CC=C1 MCULE-2479440619 [1,1,0,0,0,0|0,0,2]=4 228 B14R1.123 CNCCCNCCC1=CC=CC=C1 MCULE-8004261395 [1,1,0,0,0,0|0,0,2]=4 229 B14R1.123 COCCNCCCC1=CC=CC=C1 MCULE-7615079529 [1,1,0,0,0,0|2,0,0]=4 230 B14R1.123 COCCNCCOC1=CC=CC=C1 MCULE-8725392907 [1,1,0,0,0,0|2,0,0]=4 231 B14R1.123 COCCNCCOC1=CC=CC=C1 MCULE-9838727888 [1,1,0,0,0,0|2,0,0]=4 232 B14R1.123 N#CCCCCCOC1=CC=CC=C1 MCULE-6146522516 [1,1,0,0,0,0|1,0,0]=3 233 B14R1.123 N#CCCCOCCC1=CC=CC=C1 MCULE-6338022369 [1,1,0,0,0,0|1,0,0]=3 234 B14R1.123 N#CCCOCC#CC1=CC=CC=C1 MCULE-3637022987 [1,1,0,0,0,0|1,0,1]=4 235 B14R1.123 NCCCNCCCC1=CC=CC=C1 MCULE-7925425450 [1,1,0,0,0,0|0,0,2]=4 236 B14R1.156 CC(CCC1=CC=CC=C1)NCC#N MCULE-4007809501 [1,1,0,0,0,0|2,0,0]=4 237 B14R1.156 CC(CCC1=CC=CC=C1)NCC#N MCULE-6039802038 [1,1,0,0,0,0|2,0,0]=4 238 B14R1.156 CN(CCCN)CCC1=CC=CC=C1 MCULE-2660371009 [1,1,0,0,0,0|0,0,2]=4 239 B14R1.422 CN(C)CCNCCC1=CC=CC=C1 MCULE-7425135449 [1,1,0,0,0,0|2,0,0]=4 240 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 MCULE-2533301387 [1,1,0,0,0,0|0,0,2]=4 241 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 MCULE-4734456085 [1,1,0,0,0,0|0,0,2]=4 242 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 MCULE-2936162502 [1,1,0,0,0,0|1,0,1]=4 243 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 MCULE-3955262564 [1,1,0,0,0,0|1,0,1]=4 244 B14R1.520 C[C@H](CC#N)COCC1=CC=CC=C1 MCULE-7314745863 [1,1,0,0,0,0|2,0,0]=4 245 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 MCULE-6647712570 [1,1,0,0,0,0|0,0,1]=3 246 B14R1.520 N#CCC(=O)NCCC1=NC=CC=C1 MCULE-4522816152 [1,1,0,0,0,0|1,0,1]=4 247 B14R1.520 N#CCC(O)COCC1=CC=CC=C1 MCULE-6262890871 [1,1,0,0,0,0|2,0,0]=4 248 B14R1.520 N#CNC(=N)NCCC1=CC=CC=C1 MCULE-8283638495 [1,1,0,0,0,0|1,0,1]=4 249 B14R1.716 NCC(O)CNCCC1=CC=CC=C1 MCULE-3049674034 [1,1,0,0,0,0|0,0,2]=4 250 B14R1.716 NCC(O)CNCCC1=CC=CC=C1 MCULE-6939571742 [1,1,0,0,0,0|0,0,2]=4 251 B14R1.716 NCC(O)CNCCC1=CC=CC=C1 MCULE-8059478840 [1,1,0,0,0,0|0,0,2]=4 252 B14R1.882 N#CCCCCOC1=C(C=CC=C1)F MCULE-2291563600 [1,1,0,0,0,0|2,0,0]=4 253 B14R1.33 CCCCC(C)CC1=CC=C(C=C1)N MCULE-6833734011 [1,1,0,0,0,0|1,0,1]=4 254 B14R1.33 CN(CCC#N)CC1=CC=C(N=C1)Cl MCULE-6734689934 [1,1,0,0,0,0|2,0,0]=4 255 B14R1.33 N#CCNC(=O)CC1=CC=C(C=C1)Br MCULE-7173457465 [1,1,0,0,0,0|1,0,1]=4 256 B14R1.34 C#CCNC(C)CC1=CC(=CC=C1)F MCULE-1856586070 [1,1,0,0,0,0|0,0,1]=3 257 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 MCULE-2022038565 [1,1,0,0,0,0|0,0,1]=3 258 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 MCULE-3188554308 [1,1,0,0,0,0|0,0,1]=3 259 B14R1.60 C#CCN(C)C(C)CC1=CC=CN=C1 MCULE-3956627730 [1,1,0,0,0,0|1,0,1]=4 260 B14R1.60 C#CCN(C)[C@@H](C)CC1=CC=CC=C1 MCULE-2742943549 [1,1,0,0,0,0|0,0,1]=3 261 B14R1.60 C#CCN(C)[C@@H](C)CC1=CC=CC=C1 MCULE-8170592065 [1,1,0,0,0,0|0,0,1]=3 262 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-1963825720 [1,1,0,0,0,0|0,0,1]=3 263 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-6377643584 [1,1,0,0,0,0|0,0,1]=3 264 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-6683314612 [1,1,0,0,0,0|0,0,1]=3 265 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 MCULE-8639879864 [1,1,0,0,0,0|0,0,1]=3 266 B14R1.60 CN(CC1=CC=CC=C1)C(=O)CC#N MCULE-9388040185 [1,1,0,0,0,0|1,0,1]=4 267 B14R1.166 C#CCNC(C)C(O)C1=CC=CC=C1 MCULE-6346645941 [1,1,0,0,0,0|0,0,1]=3 268 B14R1.166 C#CCNC(C)C(O)C1=CC=CC=C1 MCULE-9644782174 [1,1,0,0,0,0|0,0,1]=3 269 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 MCULE-2868820721 [1,1,0,0,0,0|1,0,0]=3 270 B14R1.166 CC(NCCO)C(O)C1=CC=CC=C1 MCULE-7391381947 [1,1,0,0,0,0|1,0,0]=3 271 B14R1.166 CCCNC(C)C(=O)C1=CC=CC=C1 MCULE-3210764898 [1,1,0,0,0,0|0,0,2]=4 272 B14R1.166 CCCNC(C)C(=O)C1=CC=CC=C1 MCULE-7218233190 [1,1,0,0,0,0|0,0,2]=4 273 B14R1.166 CN(CCC#N)C(=O)C1=CC=CC=C1 MCULE-5729691837 [1,1,0,0,0,0|1,0,1]=4 274 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O MCULE-1968549151 [1,1,0,0,0,0|1,0,1]=4 275 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O MCULE-5996302278 [1,1,0,0,0,0|1,0,1]=4 276 B14R1.423 CC(CCC(=O)O)CC1=CC=CC=C1 MCULE-7245556530 [1,1,0,0,0,0|1,0,1]=4 277 B14R1.743 CC(CC1=CC=CC=C1)NC(=O)CN MCULE-1237657955 [1,1,0,0,0,0|0,0,2]=4 278 B14R1.743 CC(CC1=CC=CC=C1)NC(=O)CN MCULE-8262846569 [1,1,0,0,0,0|0,0,2]=4 279 B14R1.19 CC1=CC=C(C=C1)C(=O)NCCC#N MCULE-3589266606 [0,1,0,0,1,0|1,0,1]=4 280 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 MCULE-6168206682 [0,1,0,0,1,0|0,0,1]=3 281 B14R1.29 C[C@@H](NC(=O)CC#N)C1=CC=CC=C1 MCULE-5529367497 [0,1,0,0,1,0|0,0,1]=3 282 B14R1.29 C[C@H](NC(=O)CC#N)C1=CC=CC=C1 MCULE-1546882814 [0,1,0,0,1,0|0,0,1]=3 283 B14R1.121 C=CCCNC(CO)C1=CC=CC=C1 MCULE-7793371996 [0,1,0,0,1,0|1,0,1]=4 284 B14R1.121 C=CCCN[C@@H](CO)C1=CC=CC=C1 MCULE-4967788511 [0,1,0,0,1,0|1,0,1]=4 285 B14R1.121 CCCCNC(CC)C1=CC=CC=C1 MCULE-6064124378 [0,1,0,0,1,0|1,0,1]=4 286 B14R1.163 CC(C#N)CNC(=O)C1=CC=CC=C1 MCULE-8824964230 [0,1,0,0,1,0|1,0,1]=4 287 B14R1.420 CC(NCCC(=O)N)C1=CC=CC=C1 MCULE-7418877508 [0,1,0,0,1,0|0,0,2]=4 288 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 MCULE-7791545562 [0,1,0,0,1,0|1,0,1]=4 289 B16R1.51 COCCNC(C)CCC1=CC=C(C=C1)O MCULE-4629657015 [0,1,0,0,0,1|2,0,0]=4 290 B16R1.608 CC(CCC1=CC=CC=C1)NCCN(C)C MCULE-6579404786 [0,1,0,0,0,1|2,0,0]=4 291 B16R1.688 COCCCNC(C)CCC1=CC=CC=C1 MCULE-6946839262 [0,1,0,0,0,1|1,0,1]=4 292 B16R1.688 COCCCNC(C)CCC1=CC=CC=C1 MCULE-8023516321 [0,1,0,0,0,1|1,0,1]=4 293 B16R1.54 COCCCNC(C)CC1=CC=C(C=C1)F MCULE-6424352747 [0,2,0,0,0,0|1,0,1]=4 294 B16R1.1329 COC(=O)CCNC(C)CC1=CC=CC=C1 MCULE-6819083834 [0,2,0,0,0,0|1,0,1]=4 295 B16R1.1329 COC(=O)CCNC(C)CC1=CC=CC=C1 MCULE-8571271875 [0,2,0,0,0,0|1,0,1]=4 296 B16R1.613 CC(NCCC(=O)O)C(O)C1=CC=CC=C1 MCULE-6995684730 [0,2,0,0,0,0|1,0,1]=4 297 B16R1.1244 CCCCN(C)[C@H](C)[C@H](O)C1=CC=CC=C1 MCULE-3511890040 [0,2,0,0,0,0|1,0,1]=4 298 B16R1.4235 COCC(C)NC(C)CC1=CC=CC=C1F MCULE-4711905140 [0,2,0,0,0,0|2,0,0]=4 299 B16R1.1759 N#CCCNC(CC1=CC=CC=C1)C(=O)O MCULE-6700502715 [0,2,0,0,0,0|0,0,1]=3 300 B16R1.59031 CC(CC1=CC=CC=C1)NCCS(=O)(=O)[O-] MCULE-4426884765 [0,2,0,0,0,0|2,0,0]=4 301 B16R1.59031 CC(CC1=CC=CC=C1)NCCS(=O)(=O)[O-] MCULE-6129745930 [0,2,0,0,0,0|2,0,0]=4 302 B14R2.3 BrCCCN1CCC2=CC=CC=C12 MCULE-1651583801 [1,0,0,1,0,0|1,0,1]=4 303 B14R2.3 N#CCCN1C=CC2=C1C=CC=C2 MCULE-1499923691 [1,0,0,1,0,0|0,0,2]=4 304 B14R2.3 N#CCCN1C=NC2=CC=CC=C12 MCULE-7054360876 [1,0,0,1,0,0|1,0,1]=4 305 B14R2.3 N#CCCN1N=CC2=C1C=CC=C2 MCULE-9279405772 [1,0,0,1,0,0|1,0,1]=4 306 B14R2.3 N#CCCN1N=NC2=C1C=CC=C2 MCULE-7437650519 [1,0,0,1,0,0|2,0,0]=4 307 B14R2.3 N#CCN[C@@H]1CCC2=C1C=CC=C2 MCULE-3956914112 [1,0,0,1,0,0|2,0,0]=4 308 B14R2.3 NCCCN1CCC2=C1C=CC=C2 MCULE-3991076565 [1,0,0,1,0,0|0,0,2]=4 309 B14R2.3 OCCCN1CCC2=CC=CC=C12 MCULE-5787866612 [1,0,0,1,0,0|1,0,1]=4 310 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 MCULE-1625498779 [1,0,0,1,0,0|1,0,1]=4 311 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 MCULE-5585146889 [1,0,0,1,0,0|1,0,1]=4 312 B14R2.6 C1=CC=C(C=C1)CC2CNCCN2 MCULE-5052229247 [1,0,0,1,0,0|2,0,0]=4 313 B14R2.6 C1=CC=C(C=C1)CC2CNCCN2 MCULE-9323888933 [1,0,0,1,0,0|2,0,0]=4 314 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 MCULE-8984498487 [1,0,0,1,0,0|2,0,0]=4 315 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 MCULE-9963567571 [1,0,0,1,0,0|2,0,0]=4 316 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CCCCN2 MCULE-3065211798 [1,0,0,1,0,0|1,0,1]=4 317 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CCCCN2 MCULE-5431926276 [1,0,0,1,0,0|1,0,1]=4 318 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CCCCN2 MCULE-6858008776 [1,0,0,1,0,0|1,0,1]=4 319 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-1554817266 [1,0,0,1,0,0|2,0,0]=4 320 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-2675482150 [1,0,0,1,0,0|2,0,0]=4 321 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-8484457018 [1,0,0,1,0,0|2,0,0]=4 322 B14R2.6 C1=CC=C(C=C1)C[C@@H]2CNCCN2 MCULE-8941118132 [1,0,0,1,0,0|2,0,0]=4 323 B14R2.6 C1=CC=C(C=C1)C[C@@H]2COCCN2 MCULE-1037180970 [1,0,0,1,0,0|2,0,0]=4 324 B14R2.6 C1=CC=C(C=C1)C[C@@H]2COCCN2 MCULE-1323912072 [1,0,0,1,0,0|2,0,0]=4 325 B14R2.6 C1=CC=C(C=C1)C[C@H]2CCCCN2 MCULE-1446561355 [1,0,0,1,0,0|1,0,1]=4 326 B14R2.6 C1=CC=C(C=C1)C[C@H]2CCCCN2 MCULE-6132636905 [1,0,0,1,0,0|1,0,1]=4 327 B14R2.6 C1=CC=C(C=C1)C[C@H]2CCCCN2 MCULE-9494223340 [1,0,0,1,0,0|1,0,1]=4 328 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-3319047948 [1,0,0,1,0,0|2,0,0]=4 329 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-4807766464 [1,0,0,1,0,0|2,0,0]=4 330 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-5257402979 [1,0,0,1,0,0|2,0,0]=4 331 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-5997120765 [1,0,0,1,0,0|2,0,0]=4 332 B14R2.6 C1=CC=C(C=C1)C[C@H]2CNCCN2 MCULE-8405386714 [1,0,0,1,0,0|2,0,0]=4 333 B14R2.6 C1=CC=C(C=C1)C[C@H]2COCCN2 MCULE-5612470397 [1,0,0,1,0,0|2,0,0]=4 334 B14R2.6 C1=CC=C(C=C1)C[C@H]2COCCN2 MCULE-8584925399 [1,0,0,1,0,0|2,0,0]=4 335 B14R2.14 CO[C@@H]1CNC[C@H]1C2=CC=CC=C2 MCULE-7548942229 [1,0,0,1,0,0|2,0,0]=4 336 B14R2.14 OC[C@H]1CNC[C@@H]1C2=CC=CC=C2 MCULE-8440088811 [1,0,0,1,0,0|1,0,1]=4 337 B14R2.24 CC1CCNCC1C2=CC=CC=C2 MCULE-6494947862 [1,0,0,1,0,0|1,0,1]=4 338 B14R2.24 CC1CCNCC1C2=CC=CC=C2 MCULE-7673488701 [1,0,0,1,0,0|1,0,1]=4 339 B14R2.24 CN1CCNCC1C2=CC=CC=C2 MCULE-6690890859 [1,0,0,1,0,0|2,0,0]=4 340 B14R2.24 CN1CCNCC1C2=CC=CC=C2 MCULE-9658567665 [1,0,0,1,0,0|2,0,0]=4 341 B14R2.24 O=C1CCNCC1C2=CC=CC=C2 MCULE-5175026393 [1,0,0,1,0,0|1,0,1]=4 342 B14R2.24 O=C1CCNCC1C2=CC=CC=C2 MCULE-9463400822 [1,0,0,1,0,0|1,0,1]=4 343 B14R2.24 OC1CCNCC1C2=CC=CC=C2 MCULE-2175644105 [1,0,0,1,0,0|1,0,1]=4 344 B14R2.30 OC1CCNC1CC2=CC=CC=C2 MCULE-7941317783 [1,0,0,1,0,0|1,0,1]=4 345 B14R2.30 OC1CCNC1CC2=CC=CC=C2 MCULE-9036235011 [1,0,0,1,0,0|1,0,1]=4 346 B14R2.101 C1=CC=C(C=C1)CCN2CCCC2 MCULE-1238637041 [1,0,0,1,0,0|1,0,1]=4 347 B14R2.1253 C1=CC=C(C=C1)C2CCCCNC2 MCULE-4053730056 [1,0,0,1,0,0|1,0,1]=4 348 B14R2.1253 C1=CC=C(C=C1)C2CNCCCN2 MCULE-9922141005 [1,0,0,1,0,0|0,0,2]=4 349 B14R2.1253 C1=CC=C(C=C1)C2CNCCCO2 MCULE-9750060592 [1,0,0,1,0,0|1,0,1]=4 350 B14R2.3018 C1=CC=C(C=C1)CCNCC2CC2 MCULE-9295685871 [1,0,0,1,0,0|1,0,1]=4 351 B14R2.7150 CCCC1NCCC2=C1C=CC=C2 MCULE-2257561688 [1,0,0,1,0,0|1,0,1]=4 352 B14R2.7150 N#CCC1=NCCC2=C1C=CC=C2 MCULE-9378104929 [1,0,0,1,0,0|0,0,2]=4 353 B14R2.7150 N#CCC1=NCCC2=CC=CC=C12 MCULE-9759311356 [1,0,0,1,0,0|0,0,2]=4 354 B14R2.7150 N#CCC1NCCC2=C1C=CC=C2 MCULE-1049671261 [1,0,0,1,0,0|0,0,0]=2 355 B14R2.7150 N#CCC1NCCC2=C1C=CC=C2 MCULE-8248485434 [1,0,0,1,0,0|0,0,0]=2 356 B14R2.7150 N#CCC1NCCC2=C1C=CC=C2 MCULE-9620474038 [1,0,0,1,0,0|0,0,0]=2 357 B14R2.7150 N#CCC1OCCC2=C1C=CC=C2 MCULE-9621751935 [1,0,0,1,0,0|1,0,0]=3 358 B14R2.7150 N#CCN1CCCC2=C1C=CC=C2 MCULE-3119731331 [1,0,0,1,0,0|2,0,0]=4 359 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 MCULE-1004594203 [1,0,0,1,0,0|0,0,2]=4 360 B14R2.19 O=C1CCC(C1)CC2=CC=CC=C2 MCULE-1167277321 [1,0,0,1,0,0|1,0,1]=4 361 B14R2.67 CCCNC1CC2=CC=CC=C2C1 MCULE-3716233043 [1,0,0,1,0,0|0,0,1]=3 362 B14R2.67 CCCNC1CC2=CC=CC=C2C1 MCULE-7835794295 [1,0,0,1,0,0|0,0,1]=3 363 B14R2.90 N#CC1CN(C1)CC2=CC=CC=C2 MCULE-9489788621 [1,0,0,1,0,0|1,0,0]=3 364 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 MCULE-5537286486 [1,0,0,1,0,0|0,0,1]=3 365 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 MCULE-8253201059 [1,0,0,1,0,0|0,0,1]=3 366 B14R2.411 CC1(CCNC1)CC2=CC=CC=C2 MCULE-2416577075 [1,0,0,1,0,0|2,0,0]=4 367 B14R2.517 CC1=NC2=CC=CC=C2N1CC#N MCULE-3954975031 [1,0,0,1,0,0|1,0,1]=4 368 B14R2.517 CC1CC2=C(N1CCN)C=CC=C2 MCULE-7117091447 [1,0,0,1,0,0|0,0,1]=3 369 B14R2.517 CC1CC2=C(N1CCO)C=CC=C2 MCULE-9635156798 [1,0,0,1,0,0|1,0,0]=3 370 B14R2.8 OCC1CNC(C1)C2=CC=CC=C2 MCULE-2137640406 [0,0,0,1,1,0|1,0,1]=4 371 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 MCULE-2167407320 [0,0,0,1,1,0|2,0,0]=4 372 B14R2.21 CN1CCN[C@H](C1)C2=CC=CC=C2 MCULE-6541988493 [0,0,0,1,1,0|2,0,0]=4 373 B14R2.21 O=C1CCNC(C1)C2=CC=CC=C2 MCULE-7081488482 [0,0,0,1,1,0|1,0,1]=4 374 B14R2.21 O=C1CCNC(C1)C2=CC=CC=C2 MCULE-8279076647 [0,0,0,1,1,0|1,0,1]=4 375 B14R2.21 O=S1CCNC(C1)C2=CC=CC=C2 MCULE-7934769387 [0,0,0,1,1,0|2,0,0]=4 376 B14R2.21 OC1CCNC(C1)C2=CC=CC=C2 MCULE-5158829494 [0,0,0,1,1,0|1,0,1]=4 377 B14R2.21 OC1CCNC(C1)C2=CC=CC=C2 MCULE-9938358879 [0,0,0,1,1,0|1,0,1]=4 378 B14R2.114 CC(C1=CC=CC=C1)N2CCCC2 MCULE-6923331100 [0,0,0,1,1,0|1,0,1]=4 379 B14R2.510 N#CCC1NC(=O)C2=C1C=CC=C2 MCULE-2430191897 [0,0,0,1,1,0|1,0,1]=4 380 B14R2.792 CC(NCC1CC1)C2=CC=CC=C2 MCULE-3771200675 [0,0,0,1,1,0|1,0,1]=4 381 B14R2.792 CC(NCC1CC1)C2=CC=CC=C2 MCULE-7367995835 [0,0,0,1,1,0|1,0,1]=4 382 B14R2.794 CC(NC1CCC1)C2=CC=CC=C2 MCULE-6050320588 [0,0,0,1,1,0|1,0,1]=4 383 B14R2.5540 CC1(COCCN1)C2=CC=CC=C2 MCULE-1820766471 [0,0,0,1,1,0|2,0,0]=4 384 B14R2.5540 C[C@@]1(CCCCN1)C2=CC=CC=C2 MCULE-3474364920 [0,0,0,1,1,0|1,0,1]=4 385 B14R2.5540 C[C@@]1(CCCCN1)C2=CC=CC=C2 MCULE-9530745797 [0,0,0,1,1,0|1,0,1]=4 386 B14R2.5540 C[C@]1(CCCCN1)C2=CC=CC=C2 MCULE-6778470456 [0,0,0,1,1,0|1,0,1]=4 387 B14R2.5540 C[C@]1(CCCCN1)C2=CC=CC=C2 MCULE-9898470292 [0,0,0,1,1,0|1,0,1]=4 388 B16R2.2334 N#CN1CCC(C1)OCC2=CC=CC=C2 MCULE-7534580049 [0,0,0,1,0,1|2,0,0]=4 389 B16R2.2441 COCCNC1CCC2=C(C1)C=CC=C2 MCULE-4380769765 [0,0,0,1,0,1|2,0,0]=4 390 B16R2.3627 N#CCC1CC(C1)OCC2=CC=CC=C2 MCULE-4683294141 [0,0,0,1,0,1|1,0,0]=3 391 B16R2.3627 N#CC[C@H]1C[C@@H](C1)OCC2=CC=CC=C2 MCULE-3662953447 [0,0,0,1,0,1|1,0,0]=3 392 B16R2.3627 N#CC[C@H]1C[C@H](C1)OCC2=CC=CC=C2 MCULE-5534406262 [0,0,0,1,0,1|1,0,0]=3 393 B16R2.30013 N#CCCN1C(=O)COC2=C1C=CC=C2 MCULE-6442647310 [0,0,0,1,0,1|1,0,1]=4 394 B16R2.23 N#CC1CCCN(C1)CC2=CC=CC=C2 MCULE-7737498530 [0,1,0,1,0,0|2,0,0]=4 395 B16R2.23 N#CC1CN(CCO1)CC2=CC=CC=C2 MCULE-4656511940 [0,1,0,1,0,0|2,0,0]=4 396 B16R2.92 N#CCC1CCN(C1)CC2=CC=CC=C2 MCULE-9982782999 [0,1,0,1,0,0|2,0,0]=4 397 B16R2.2209 CC(C1=CC=CC=C1)C2CCCCCN2 MCULE-5461938076 [0,1,0,1,0,0|1,0,1]=4 398 B16R2.6780 CC(C(O)C1=CC=CC=C1)N2CCCC2 MCULE-5658804444 [0,1,0,1,0,0|1,0,1]=4 399 B16R2.6780 C[C@@H]([C@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-1036425325 [0,1,0,1,0,0|1,0,1]=4 400 B16R2.6780 C[C@@H]([C@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-6243332278 [0,1,0,1,0,0|1,0,1]=4 401 B16R2.6780 C[C@H]([C@@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-8867822678 [0,1,0,1,0,0|1,0,1]=4 402 B16R2.6780 C[C@H]([C@@H](O)C1=CC=CC=C1)N2CCCC2 MCULE-9665987812 [0,1,0,1,0,0|1,0,1]=4 403 B16R2.6780 [C@H](O)(C1=CC=CC=C1)[C@@H](C)N2CCCC2 MCULE-4405461121 [0,1,0,1,0,0|1,0,1]=4 404 B16R2.30799 CC1=C(N(C2=C1C=CC=C2)CCC#N)C MCULE-4985639349 [0,1,0,1,0,0|0,0,2]=4 405 B16R2.131 NC1CCNC(C1)CC2=CC=C(C=C2)Cl MCULE-1514354295 [0,1,0,1,0,0|0,0,2]=4 406 B16R2.2114 CNCCN(C)C1CC1C2=CC=CC=C2 MCULE-4208389801 [0,1,0,1,0,0|2,0,0]=4 407 B16R2.2400 N#CC1CC(=O)N(C1)CC2=CC=CC=C2 MCULE-5989476970 [0,1,0,1,0,0|2,0,0]=4 408 B16R2.734 COCC(C)NC1CC2=C(C1)C=CC=C2 MCULE-2885363941 [0,1,0,1,0,0|2,0,0]=4 409 B16R2.2374 CC1CN(CC1C#N)CC2=CC=CC=C2 MCULE-7744139570 [0,1,0,1,0,0|2,0,0]=4 410 B16R2.2374 C[C@@H]1CN(C[C@H]1C#N)CC2=CC=CC=C2 MCULE-5178131867 [0,1,0,1,0,0|2,0,0]=4 411 B16R2.2 N#CC1CCN(CC1)CC2=CC=CC=C2 MCULE-8259218598 [0,1,0,1,0,0|2,0,0]=4 412 B16R2.8241 CC1(CCN(C1)CC2=CC=CC=C2)C#N MCULE-6692667639 [0,1,0,1,0,0|2,0,0]=4 413 B16R2.8241 N#CC1(CCN(C1)CC2=CC=CC=C2)Cl MCULE-1201060722 [0,1,0,1,0,0|2,0,0]=4 414 B16R2.8241 N#CC1(CCN(C1)CC2=CC=CC=C2)N MCULE-6585713827 [0,1,0,1,0,0|2,0,0]=4 415 B16R2.8241 N#CC1(CCN(C1)CC2=CC=CC=C2)O MCULE-1782146170 [0,1,0,1,0,0|2,0,0]=4 416 B16R2.101 NCC(CC1=CC=CC=C1)N2CCCC2 MCULE-6213949443 [0,1,0,1,0,0|1,0,1]=4 417 B16R2.101 OCC(CC1=CC=CC=C1)N2CCCC2 MCULE-4495590565 [0,1,0,1,0,0|1,0,1]=4 418 B16R2.101 OC[C@@H](CC1=CC=CC=C1)N2CCCC2 MCULE-9544601998 [0,1,0,1,0,0|1,0,1]=4 419 B16R2.24848 CC1=C(C=CC=C1)CC2CCCCCN2 MCULE-7597263807 [0,1,0,1,0,0|1,0,1]=4 420 B16R2.24848 ClC1=C(C=CC=C1)CC2CCCCCN2 MCULE-4843672941 [0,1,0,1,0,0|1,0,1]=4 421 B16R2.365386 C=CCC1NC(CC2=C1C=CC=C2)(C)C MCULE-2190402911 [0,1,0,1,0,0|1,0,1]=4 422 B16R2.365386 C=CCC1NC(CC2=C1C=CC=C2)(C)C MCULE-6071629483 [0,1,0,1,0,0|1,0,1]=4 423 B16R2.365386 CC1(CC2=CC=CC=C2C(=N1)CC#N)C MCULE-9723342552 [0,1,0,1,0,0|0,0,2]=4 424 B16R3.1722 C1=CC2=C(C=C1)N3CCCNCC3C2 MCULE-6215686120 [0,0,0,2,0,0|0,0,2]=4 425 B16R3.1726 C1=CC2=C(C=C1)C3CC=CCC(C2)N3 MCULE-6327297017 [0,0,0,2,0,0|1,0,1]=4 426 B16R3.275948 C1=CC2=C(C=C1)CC(C2)NCC3CC3 MCULE-7855813388 [0,0,0,2,0,0|1,0,1]=4 427 B12R1.30 C#CCCC(N)C1=CC=CC=C1 MCULE-8505511239 [1,0,0,0,1,0|2,0,0]=4 428 B12R1.30 C#CCCC(O)C1=CC=CC=C1 MCULE-1591777155 [1,0,0,0,1,0|2,0,0]=4 429 B12R1.30 C#CCNC(C)C1=CC=CC=C1 MCULE-9257705460 [1,0,0,0,1,0|0,0,1]=3 430 B12R1.30 C(C)(NCC=C)C1=CC=CC=C1 MCULE-3839062268 [1,0,0,0,1,0|0,0,2]=4 431 B12R1.30 C=CCCC(C)C1=CC=CC=C1 MCULE-5529093931 [1,0,0,0,1,0|1,0,1]=4 432 B12R1.30 C=CCN[C@@H](C)C1=CC=CC=C1 MCULE-4788869412 [1,0,0,0,1,0|0,0,2]=4 433 B12R1.30 C=CCN[C@H](C)C1=CC=CC=C1 MCULE-3136249123 [1,0,0,0,1,0|0,0,2]=4 434 B12R1.30 CC(CCCO)C1=CC=CC=C1 MCULE-4761908756 [1,0,0,0,1,0|1,0,1]=4 435 B12R1.30 CC(NCCCl)C1=CC=CC=C1 MCULE-2342848215 [1,0,0,0,1,0|1,0,0]=3 436 B12R1.30 CC(NCCCl)C1=CC=CC=C1 MCULE-5885988699 [1,0,0,0,1,0|1,0,0]=3 437 B12R1.30 CC(NCCN)C1=CC=CC=C1 MCULE-2804734149 [1,0,0,0,1,0|0,0,1]=3 438 B12R1.30 CC(NCCO)C1=CC=CC=C1 MCULE-2672517245 [1,0,0,0,1,0|1,0,0]=3 439 B12R1.30 CC(NCCO)C1=CC=CC=C1 MCULE-6045242627 [1,0,0,0,1,0|1,0,0]=3 440 B12R1.30 CC(NCCO)C1=NC=CC=C1 MCULE-5505928304 [1,0,0,0,1,0|2,0,0]=4 441 B12R1.30 CC(OCCO)C1=CC=CC=C1 MCULE-6404349739 [1,0,0,0,1,0|2,0,0]=4 442 B12R1.30 CCCNC(C)C1=CC=CC=C1 MCULE-6320883219 [1,0,0,0,1,0|0,0,1]=3 443 B12R1.30 CCCNC(C)C1=CC=CC=C1 MCULE-9965892271 [1,0,0,0,1,0|0,0,1]=3 444 B12R1.30 CN(CCC#N)C1=CC=CC=C1 MCULE-6871661961 [1,0,0,0,1,0|1,0,0]=3 445 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 MCULE-2129664411 [1,0,0,0,1,0|1,0,0]=3 446 B12R1.30 C[C@@H](NCCO)C1=CC=CC=C1 MCULE-7330953105 [1,0,0,0,1,0|1,0,0]=3 447 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 MCULE-1337308037 [1,0,0,0,1,0|1,0,0]=3 448 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 MCULE-9436913854 [1,0,0,0,1,0|1,0,0]=3 449 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 MCULE-7768008480 [1,0,0,0,1,0|1,0,1]=4 450 B12R1.30 N#CCCC(N)C1=CC=CC=C1 MCULE-9475685838 [1,0,0,0,1,0|1,0,0]=3 451 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 MCULE-4316376234 [1,0,0,0,1,0|1,0,1]=4