0 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-3484861085 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.36 CC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-5420752814 [0,0,0,0,0,0|1,0,1]=2 2 B16R2.36 CC(=O)OCCC1=CNC2=C1C=CC=C2 MCULE-8819515006 [0,0,0,0,0,0|1,0,0]=1 3 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-3624253378 [0,0,0,0,0,0|1,0,1]=2 4 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-6669922334 [0,0,0,0,0,0|1,0,1]=2 5 B16R2.36 CC(C)NCCC1=CNC2=C1C=CC=C2 MCULE-7927210820 [0,0,0,0,0,0|1,0,1]=2 6 B16R2.36 N=C(N)NCCN1C=CC2=C1C=CC=C2 MCULE-2604450825 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.36 N=C(N)NCCN1C=CC2=C1C=CC=C2 MCULE-8215283910 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.36 N=C(N)NN=CC1=CNC2=CC=CC=C12 MCULE-2913368451 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.36 NC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-7880098416 [0,0,0,0,0,0|2,0,0]=2 10 B16R2.36 NC(=O)CSCC1=CNC2=CC=CC=C12 MCULE-2182477897 [0,0,0,0,0,0|3,0,0]=3 11 B16R2.36 NC(=O)NCCC1=CNC2=CC=CC=C12 MCULE-5405095437 [0,0,0,0,0,0|1,0,0]=1 12 B16R2.36 NC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3098683675 [0,0,0,0,0,0|2,0,1]=3 13 B16R2.36 NC(=S)CCCC1=CNC2=C1C=CC=C2 MCULE-9048575666 [0,0,0,0,0,0|2,1,0]=3 14 B16R2.36 NC(=S)N/N=C/C1=CNC2=C1C=CC=C2 MCULE-7722492449 [0,0,0,0,0,0|2,1,1]=4 15 B16R2.36 NC(=S)NCCC1=CNC2=CC=CC=C12 MCULE-5137799018 [0,0,0,0,0,0|1,1,0]=2 16 B16R2.36 NC(=S)NN=CC1=CNC2=C1C=CC=C2 MCULE-5795275015 [0,0,0,0,0,0|2,1,1]=4 17 B16R2.36 O=C(Cl)CCCC1=CNC2=CC=CC=C12 MCULE-5202346383 [0,0,0,0,0,0|2,0,0]=2 18 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 MCULE-1997278353 [0,0,0,0,0,0|2,0,0]=2 19 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 MCULE-5867337649 [0,0,0,0,0,0|3,0,0]=3 20 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 MCULE-1883575296 [0,0,0,0,0,0|3,0,1]=4 21 B16R2.36 O=C(O)CCCN1C=NC2=CC=CC=C12 MCULE-3329921832 [0,0,0,0,0,0|3,0,1]=4 22 B16R2.36 O=C(O)CCSC1=CNC2=C1C=CC=C2 MCULE-1489776866 [0,0,0,0,0,0|3,0,0]=3 23 B16R2.36 O=C(O)CSCC1=CNC2=CC=CC=C12 MCULE-1572443329 [0,0,0,0,0,0|3,0,0]=3 24 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 MCULE-4353856647 [0,0,0,0,0,0|2,0,0]=2 25 B15R2.5 N#CSCCC1=CNC2=C1C=CC=C2 MCULE-3179312754 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.5 N#N=NCCC1=CNC2=C1C=CC=C2 MCULE-3761251765 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 MCULE-6711010140 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.5 O=CNCCC1=CNC2=C1C=CC=C2 MCULE-2222832478 [1,0,0,0,0,0|0,0,0]=1 29 B15R2.5 O=CNCCC1=COC2=C1C=CC=C2 MCULE-6735163920 [1,0,0,0,0,0|1,0,0]=2 30 B17R2.4 C=CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4792628649 [0,1,0,0,0,0|0,0,1]=2 31 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9497470499 [0,1,0,0,0,0|0,0,0]=1 32 B17R2.4 CNC(=O)NCCC1=CNC2=NC=CC=C12 MCULE-8243894185 [0,1,0,0,0,0|1,0,0]=2 33 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 MCULE-4645011852 [0,1,0,0,0,0|0,1,0]=2 34 B17R2.4 CNC(=S)NN=CC1=CNC2=C1C=CC=C2 MCULE-5446106450 [0,1,0,0,0,0|1,1,1]=4 35 B17R2.4 COC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-3786832869 [0,1,0,0,0,0|1,0,0]=2 36 B17R2.4 COC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-5458659698 [0,1,0,0,0,0|0,0,0]=1 37 B17R2.4 COC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-3403317723 [0,1,0,0,0,0|1,0,1]=3 38 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-1113251537 [0,1,0,0,0,0|0,0,0]=1 39 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-4950900726 [0,1,0,0,0,0|0,0,0]=1 40 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 MCULE-6387956078 [0,1,0,0,0,0|0,0,0]=1 41 B17R2.4 O=C(CO)NN=CC1=CNC2=CC=CC=C12 MCULE-9280058455 [0,1,0,0,0,0|1,0,1]=3 42 B17R2.16 CC(=O)N(C)CCN1C=NC2=CC=CC=C12 MCULE-9528816741 [0,1,0,0,0,0|1,0,1]=3 43 B17R2.16 CC(C)N(C)CCC1=CNC2=CC=CC=C12 MCULE-1200318789 [0,1,0,0,0,0|1,0,1]=3 44 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5361301584 [0,1,0,0,0,0|2,0,0]=3 45 B17R2.39 CC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-3550791751 [0,1,0,0,0,0|0,0,0]=1 46 B17R2.39 CC(=O)N[C@H](C)CN1N=NC2=C1C=CC=C2 MCULE-2113147651 [0,1,0,0,0,0|2,0,1]=4 47 B17R2.39 CC(CC1=CNC2=C1C=CC=C2)NC(=O)N MCULE-7752352556 [0,1,0,0,0,0|1,0,0]=2 48 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2729301529 [0,1,0,0,0,0|2,0,0]=3 49 B17R2.39 NC(CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-4429421792 [0,1,0,0,0,0|2,0,0]=3 50 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-5115224173 [0,1,0,0,0,0|3,0,0]=4 51 B17R2.39 NC(CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-9379962356 [0,1,0,0,0,0|3,0,0]=4 52 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-2654043984 [0,1,0,0,0,0|2,0,0]=3 53 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-6295673056 [0,1,0,0,0,0|2,0,0]=3 54 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-7847879227 [0,1,0,0,0,0|2,0,0]=3 55 B17R2.39 N[C@@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-2988137343 [0,1,0,0,0,0|2,0,0]=3 56 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-2867145195 [0,1,0,0,0,0|3,0,0]=4 57 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-6646879167 [0,1,0,0,0,0|3,0,0]=4 58 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3636493320 [0,1,0,0,0,0|3,0,0]=4 59 B17R2.39 N[C@@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-7630794072 [0,1,0,0,0,0|3,0,0]=4 60 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1639949050 [0,1,0,0,0,0|2,0,0]=3 61 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=C1C=CC=C2 MCULE-1946876843 [0,1,0,0,0,0|2,0,0]=3 62 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-8022795403 [0,1,0,0,0,0|2,0,0]=3 63 B17R2.39 N[C@H](CC(=O)O)CC1=CNC2=CC=CC=C12 MCULE-9758468344 [0,1,0,0,0,0|2,0,0]=3 64 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-1597107796 [0,1,0,0,0,0|3,0,0]=4 65 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=C1C=CC=C2 MCULE-3864990170 [0,1,0,0,0,0|3,0,0]=4 66 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-3053632532 [0,1,0,0,0,0|3,0,0]=4 67 B17R2.39 N[C@H](CC(=O)O)CC1=CSC2=CC=CC=C12 MCULE-4953969691 [0,1,0,0,0,0|3,0,0]=4 68 B17R2.877 CC(=NNC(=O)N)C1=CNC2=C1C=CC=C2 MCULE-5198471994 [0,1,0,0,0,0|2,0,1]=4 69 B17R2.877 CC(=O)NCC(O)C1=CNC2=C1C=CC=C2 MCULE-6719748377 [0,1,0,0,0,0|0,0,0]=1 70 B17R2.877 CC(=O)NNC(=O)C1=CNC2=C1C=CC=C2 MCULE-3592108507 [0,1,0,0,0,0|1,0,1]=3 71 B17R2.877 CC(=O)OCC(=O)C1=CNC2=C1C=CC=C2 MCULE-3203276983 [0,1,0,0,0,0|1,0,1]=3 72 B17R2.877 CC(=O)OCC(=O)C1=CSC2=C1C=CC=C2 MCULE-3686797633 [0,1,0,0,0,0|2,0,1]=4 73 B17R2.877 CC(C)CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6239858203 [0,1,0,0,0,0|2,0,1]=4 74 B17R2.877 CC(C)CC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-8708442943 [0,1,0,0,0,0|2,0,1]=4 75 B17R2.877 CC(C)CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6429518375 [0,1,0,0,0,0|2,0,1]=4 76 B17R2.877 CC(C)CC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6837423949 [0,1,0,0,0,0|2,0,1]=4 77 B17R2.877 O=C(O)CCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5888343819 [0,1,0,0,0,0|2,0,1]=4 78 B17R2.3451 CC(=O)NCCN1C=CC2=C1C=CC(=C2)Br MCULE-3674702463 [0,1,0,0,0,0|2,0,0]=3 79 B17R2.5025 CC(=O)NCCC1=C(NC2=C1C=CC=C2)Br MCULE-2178569993 [0,1,0,0,0,0|0,0,0]=1 80 B17R2.5025 CC(=O)NCCC1=C(NC2=CC=CC=C12)C MCULE-1737840553 [0,1,0,0,0,0|0,0,0]=1 81 B17R2.5025 CC(=O)NCCN1C(=NC2=C1N=CC=C2)C MCULE-9575973840 [0,1,0,0,0,0|2,0,1]=4 82 B17R2.5025 CC(=O)NCCN1C2=CC=CC=C2N=C1N MCULE-9921733324 [0,1,0,0,0,0|1,0,1]=3 83 B17R2.5025 CC(=O)OCC[N+]1=C(SC2=C1C=CC=C2)C MCULE-4926669746 [0,1,0,0,0,0|3,0,0]=4 84 B17R2.5025 CC(=O)OCC[N+]1=C(SC2=C1C=CC=C2)C MCULE-9688982227 [0,1,0,0,0,0|3,0,0]=4 85 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)C=NNC(=O)N MCULE-5211851006 [0,1,0,0,0,0|2,0,1]=4 86 B17R2.5025 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)N MCULE-6692108952 [0,1,0,0,0,0|1,0,0]=2 87 B17R2.5025 O=C(O)CCCC1=C(NC2=C1C=CC=C2)Br MCULE-9724123135 [0,1,0,0,0,0|2,0,0]=3 88 B17R2.5025 O=C(O)CCCC1C(=O)NC2=C1C=CC=C2 MCULE-4525802423 [0,1,0,0,0,0|2,0,1]=4 89 B17R2.5025 O=C(O)CCCN1C(=O)NC2=C1C=CC=C2 MCULE-8350839646 [0,1,0,0,0,0|3,0,0]=4 90 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [0,1,0,0,0,0|0,0,0]=1 91 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F MCULE-9702651152 [0,1,0,0,0,0|0,0,0]=1 92 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)N MCULE-6046660193 [0,1,0,0,0,0|0,0,0]=1 93 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [0,1,0,0,0,0|0,0,0]=1 94 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [0,1,0,0,0,0|0,0,0]=1 95 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [0,1,0,0,0,0|1,0,0]=2 96 B17R2.25462 O=C(O)CCCC1=CNC2=C1C=C(C=C2)F MCULE-2981152241 [0,1,0,0,0,0|2,0,0]=3 97 B17R2.25462 O=C(O)CCCC1=CNC2=CC=C(C=C12)Br MCULE-8939612998 [0,1,0,0,0,0|2,0,0]=3 98 B17R2.78537 CC(=S)NN=CC1=CN(C2=CC=CC=C12)C MCULE-6923286661 [0,1,0,0,0,0|1,1,1]=4 99 B17R2.78537 CN1C=C(C2=C1C=CC=C2)C=NNC(=O)N MCULE-1538840726 [0,1,0,0,0,0|2,0,1]=4 100 B17R2.78537 CN1C=C(C2=C1C=CC=C2)CCCC(=O)O MCULE-6734730678 [0,1,0,0,0,0|2,0,0]=3 101 B15R1.84 COC1=C(C=CC=C1)OCCNC(=O)C MCULE-4445945561 [0,0,1,0,0,0|2,0,1]=4 102 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 MCULE-8314344011 [0,0,0,1,0,0|0,0,0]=1 103 B17R3.26 O=C1NC[C@@H](N1)C2=CNC3=CC=CC=C23 MCULE-3640424239 [0,0,0,1,0,0|1,0,0]=2 104 B17R3.26 O=C1NC[C@@H](N1)C2=CSC3=C2C=CC=C3 MCULE-4955084412 [0,0,0,1,0,0|2,0,0]=3 105 B17R3.26 O=C1NC[C@H](N1)C2=CNC3=CC=CC=C23 MCULE-8662242760 [0,0,0,1,0,0|1,0,0]=2 106 B17R3.26 O=C1NC[C@H](N1)C2=CSC3=C2C=CC=C3 MCULE-9689252060 [0,0,0,1,0,0|2,0,0]=3 107 B17R3.26 O=C1N[C@@H](CO1)C2=CNC3=CC=CC=C23 MCULE-7032320007 [0,0,0,1,0,0|2,0,0]=3 108 B17R3.26 O=C1N[C@@H](CO1)C2=CSC3=C2C=CC=C3 MCULE-9348062516 [0,0,0,1,0,0|3,0,0]=4 109 B17R3.26 O=C1N[C@H](CO1)C2=CNC3=CC=CC=C23 MCULE-9161144270 [0,0,0,1,0,0|2,0,0]=3 110 B17R3.26 O=C1N[C@H](CO1)C2=CSC3=C2C=CC=C3 MCULE-2716943600 [0,0,0,1,0,0|3,0,0]=4 111 B17R3.66024 CC(=O)N1CCN2C1=NC3=C2C=CC=C3 MCULE-5380074355 [0,0,0,1,0,0|1,0,1]=3 112 B15R2.6 CC(=O)C=CC1=CNC2=CC=CC=C12 MCULE-1503677397 [0,0,0,0,1,0|0,0,2]=3 113 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [0,0,0,0,1,0|0,0,0]=1 114 B15R2.6 CC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-3225504435 [0,0,0,0,1,0|1,0,1]=3 115 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [0,0,0,0,1,0|1,0,0]=2 116 B15R2.6 CC(=O)NCN1N=NC2=C1C=CC=C2 MCULE-1064654649 [0,0,0,0,1,0|2,0,1]=4 117 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [0,0,0,0,1,0|2,0,0]=3 118 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [0,0,0,0,1,0|1,0,0]=2 119 B15R2.6 NC(=O)CCN1C=CC2=CC=CC=C12 MCULE-8078725777 [0,0,0,0,1,0|3,0,0]=4 120 B15R2.6 NC(=O)CCN1C=NC2=C1C=CC=C2 MCULE-6609412974 [0,0,0,0,1,0|2,0,1]=4 121 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [0,0,0,0,1,0|2,0,0]=3 122 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [0,0,0,0,1,0|1,0,2]=4 123 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [0,0,0,0,1,0|1,0,2]=4 124 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [0,0,0,0,1,0|1,0,2]=4 125 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [0,0,0,0,1,0|1,0,0]=2 126 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [0,0,0,0,1,0|2,0,0]=3 127 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [0,0,0,0,1,0|2,0,0]=3 128 B15R2.6 O=C(O)CCC1=NNC2=NC=CC=C12 MCULE-2665228438 [0,0,0,0,1,0|3,0,0]=4 129 B15R2.6 O=C(O)CCC1CNC2=CC=CC=C12 MCULE-8363659489 [0,0,0,0,1,0|1,0,2]=4 130 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [0,0,0,0,1,0|3,0,0]=4 131 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [0,0,0,0,1,0|2,0,1]=4 132 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [0,0,0,0,1,0|2,0,1]=4 133 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [0,0,0,0,1,0|2,0,1]=4 134 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [0,0,0,0,1,0|3,0,0]=4 135 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [0,0,0,0,1,0|2,0,0]=3 136 B15R2.6 O=C([O-])C=CC1=CNC2=CC=CC=C12 MCULE-2887903829 [0,0,0,0,1,0|1,0,2]=4 137 B17R2.137 CC(=O)NCCCC1=NC=C2N1C=CC=C2 MCULE-2718706317 [0,0,0,0,0,1|3,0,0]=4 138 B17R2.137 NC(=O)CCSCC1=CNC2=CC=CC=C12 MCULE-1693128182 [0,0,0,0,0,1|2,0,0]=3 139 B17R2.137 O=C(O)CCCCC1=CNC2=C1C=CC=C2 MCULE-5436372444 [0,0,0,0,0,1|2,0,0]=3 140 B17R2.137 O=C(O)CCCSC1=CNC2=C1C=CC=C2 MCULE-1812397387 [0,0,0,0,0,1|2,0,0]=3 141 B17R2.137 O=C(O)CCSCC1=CNC2=CC=CC=C12 MCULE-7956059624 [0,0,0,0,0,1|2,0,0]=3 142 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 MCULE-6018618045 [0,0,0,0,0,1|1,0,0]=2 143 B17R2.5669 O=C(O)CCCC1=CC2=CC=CC=C2C=C1 MCULE-4630954685 [0,0,0,0,0,1|3,0,0]=4 144 B17R2.291558 C=C(C)CCCC1=CC=CC2=CC=CC=C12 MCULE-7142764762 [0,0,0,0,0,1|3,0,0]=4 145 B17R2.291558 CC(=O)NN=CC1=CC=CC2=CC=CC=C12 MCULE-9134114512 [0,0,0,0,0,1|2,0,1]=4 146 B17R2.291558 O=C(O)CCCC1=C2C=CC=CC2=CC=C1 MCULE-8333010495 [0,0,0,0,0,1|3,0,0]=4 147 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)C MCULE-2731584200 [1,0,1,0,0,0|1,0,1]=4 148 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)Cl MCULE-3229855088 [1,0,1,0,0,0|2,0,0]=4 149 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)N MCULE-1834809878 [1,0,1,0,0,0|1,0,0]=3 150 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)N MCULE-8262707985 [1,0,1,0,0,0|1,0,0]=3 151 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)O MCULE-4696861559 [1,0,1,0,0,0|2,0,0]=4 152 B14R1.159 CC(=O)NCCOC1=CC=CC=C1F MCULE-8213129717 [1,0,1,0,0,0|2,0,0]=4 153 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 MCULE-3355590561 [1,0,1,0,0,0|2,0,0]=4 154 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 MCULE-3789491063 [1,0,1,0,0,0|2,0,0]=4 155 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 MCULE-4097971327 [2,0,0,0,0,0|0,0,1]=3 156 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 MCULE-9425269407 [2,0,0,0,0,0|0,0,1]=3 157 B14R2.3 CNCCC1=CNC2=CC=CN=C12 MCULE-6308406696 [2,0,0,0,0,0|1,0,0]=3 158 B14R2.3 CNCCN1C=CC2=C1C=CC=C2 MCULE-7890173199 [2,0,0,0,0,0|2,0,0]=4 159 B14R2.3 CNCCN1C=CC2=C1C=CC=C2 MCULE-8023975556 [2,0,0,0,0,0|2,0,0]=4 160 B14R2.3 CNCCN1C=NC2=C1C=CC=C2 MCULE-5310546291 [2,0,0,0,0,0|1,0,1]=4 161 B14R2.3 CNCCN1C=NC2=CC=CC=C12 MCULE-9749496948 [2,0,0,0,0,0|1,0,1]=4 162 B14R2.3 N#CCCC1=CNC2=CC=CC=C12 MCULE-9844349638 [2,0,0,0,0,0|1,0,1]=4 163 B14R2.3 NCCCC1=CNC2=CC=CC=C12 MCULE-4742640218 [2,0,0,0,0,0|1,0,1]=4 164 B14R2.3 NNCCC1=CNC2=CC=CC=C12 MCULE-3881420803 [2,0,0,0,0,0|1,0,0]=3 165 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [2,0,0,0,0,0|0,0,0]=2 166 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 MCULE-2483523215 [2,0,0,0,0,0|0,0,2]=4 167 B14R2.3 OOCCC1=CNC2=CC=CC=C12 MCULE-6615259809 [2,0,0,0,0,0|1,0,1]=4 168 B16R1.610 CC(=O)NCCOC(=O)NC1=CC=CN=C1 MCULE-1118185433 [0,1,1,0,0,0|2,0,0]=4 169 B16R1.610 CC(=O)NCCOC(=O)NC1=CC=NC=C1 MCULE-4733318832 [0,1,1,0,0,0|2,0,0]=4 170 B16R2.5 CNC[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1587513374 [1,1,0,0,0,0|2,0,0]=4 171 B16R2.6 CCNCCCC1=CNC2=CC=CC=C12 MCULE-9737766404 [1,1,0,0,0,0|0,0,1]=3 172 B16R2.6 OCCNCCC1=CNC2=C1C=CC=C2 MCULE-1414025281 [1,1,0,0,0,0|0,0,1]=3 173 B16R2.6 OCCNCCC1=CNC2=C1C=CC=C2 MCULE-2573265529 [1,1,0,0,0,0|0,0,1]=3 174 B16R2.14 CCN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1754547837 [1,1,0,0,0,0|0,0,1]=3 175 B16R2.14 CCN(C)CCC1=CNC2=C1C=CC=C2 MCULE-5519543071 [1,1,0,0,0,0|0,0,1]=3 176 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-6058936857 [1,1,0,0,0,0|2,0,0]=4 177 B16R2.37 C=CCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3401850900 [1,1,0,0,0,0|1,0,1]=4 178 B16R2.37 C=CCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-9456030023 [1,1,0,0,0,0|1,0,1]=4 179 B16R2.37 C=CCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1107112017 [1,1,0,0,0,0|1,0,1]=4 180 B16R2.37 C=CCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1720383565 [1,1,0,0,0,0|1,0,1]=4 181 B16R2.37 CCCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3248209184 [1,1,0,0,0,0|1,0,1]=4 182 B16R2.37 CCCC[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3378230887 [1,1,0,0,0,0|1,0,1]=4 183 B16R2.37 CCCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2095854067 [1,1,0,0,0,0|1,0,1]=4 184 B16R2.37 CCCC[C@H](N)C1=CNC2=CC=CC=C12 MCULE-2990654467 [1,1,0,0,0,0|1,0,1]=4 185 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,1,0,0,1,0|1,0,0]=3 186 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,1,0,0,1,0|2,0,0]=4 187 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,1,0,0,1,0|1,0,0]=3 188 B16R2.12 CC(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-5963536990 [0,1,0,0,1,0|0,0,2]=4 189 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,1,0,0,1,0|2,0,0]=4 190 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-3066097949 [0,1,0,0,1,0|1,0,0]=3 191 B16R2.12 NC(=O)C(N)CC1=CNC2=C1C=CC=C2 MCULE-8443491955 [0,1,0,0,1,0|1,0,0]=3 192 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-1545475984 [0,1,0,0,1,0|1,0,0]=3 193 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-2495284243 [0,1,0,0,1,0|1,0,0]=3 194 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-6670583047 [0,1,0,0,1,0|1,0,0]=3 195 B16R2.12 NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-7340384638 [0,1,0,0,1,0|1,0,0]=3 196 B16R2.12 NC(=O)[C@H](O)CC1=CNC2=C1C=CC=C2 MCULE-6002866157 [0,1,0,0,1,0|1,0,0]=3 197 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,1,0,0,1,0|1,0,0]=3 198 B16R2.12 NC(CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7914194741 [0,1,0,0,1,0|2,0,0]=4 199 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-2168870848 [0,1,0,0,1,0|2,0,0]=4 200 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-3705960079 [0,1,0,0,1,0|2,0,0]=4 201 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5682942023 [0,1,0,0,1,0|2,0,0]=4 202 B16R2.12 NC(CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5769182405 [0,1,0,0,1,0|2,0,0]=4 203 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,1,0,0,1,0|2,0,0]=4 204 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,1,0,0,1,0|2,0,0]=4 205 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,1,0,0,1,0|1,0,0]=3 206 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,1,0,0,1,0|1,0,0]=3 207 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-3547598485 [0,1,0,0,1,0|2,0,0]=4 208 B16R2.12 N[C@@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-7707361491 [0,1,0,0,1,0|2,0,0]=4 209 B16R2.12 N[C@@H](CC1=CNC2=C1C=NC=C2)C(=O)O MCULE-7462566193 [0,1,0,0,1,0|2,0,0]=4 210 B16R2.12 N[C@@H](CC1=CNC2=C1N=CC=C2)C(=O)O MCULE-5719127161 [0,1,0,0,1,0|2,0,0]=4 211 B16R2.12 N[C@@H](CC1=CNC2=CC=CN=C12)C(=O)O MCULE-2993588407 [0,1,0,0,1,0|2,0,0]=4 212 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-2848201757 [0,1,0,0,1,0|2,0,0]=4 213 B16R2.12 N[C@@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-5628776627 [0,1,0,0,1,0|2,0,0]=4 214 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,1,0,0,1,0|2,0,0]=4 215 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,1,0,0,1,0|2,0,0]=4 216 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,1,0,0,1,0|2,0,0]=4 217 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,1,0,0,1,0|1,0,0]=3 218 B16R2.12 N[C@H](CC1=CNC2=C1C=CN=C2)C(=O)O MCULE-8686553455 [0,1,0,0,1,0|2,0,0]=4 219 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,1,0,0,1,0|1,0,0]=3 220 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,1,0,0,1,0|1,0,0]=3 221 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-1273995147 [0,1,0,0,1,0|2,0,0]=4 222 B16R2.12 N[C@H](CC1=CNC2=NC=CC=C12)C(=O)O MCULE-6851752263 [0,1,0,0,1,0|2,0,0]=4 223 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,1,0,0,1,0|2,0,0]=4 224 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,1,0,0,1,0|2,0,0]=4 225 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,1,0,0,1,0|2,0,0]=4 226 B16R2.12 O=C(O)C(=O)CC1=CNC2=C1C=CC=C2 MCULE-1073478615 [0,1,0,0,1,0|1,0,1]=4 227 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,1,0,0,1,0|1,0,0]=3 228 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,1,0,0,1,0|1,0,0]=3 229 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-3165794084 [0,1,0,0,1,0|1,0,0]=3 230 B16R2.520 C=C(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-4423247369 [0,1,0,0,1,0|1,0,0]=3 231 B16R2.520 C=C(C)C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-6901441990 [0,1,0,0,1,0|2,0,0]=4 232 B16R2.520 C=C(C)C[C@@H](N)C1=CSC2=C1C=CC=C2 MCULE-8088801013 [0,1,0,0,1,0|2,0,0]=4 233 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1451859789 [0,1,0,0,1,0|1,0,0]=3 234 B16R2.520 C=C(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-1911385013 [0,1,0,0,1,0|1,0,0]=3 235 B16R2.520 C=C(C)C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-6500816597 [0,1,0,0,1,0|2,0,0]=4 236 B16R2.520 C=C(C)C[C@H](N)C1=CSC2=C1C=CC=C2 MCULE-8411166886 [0,1,0,0,1,0|2,0,0]=4 237 B16R2.520 CC(=O)CC(=O)C1=CNC2=C1C=CC=C2 MCULE-7778035018 [0,1,0,0,1,0|0,0,1]=3 238 B16R2.520 CC(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-1348433218 [0,1,0,0,1,0|1,0,1]=4 239 B16R2.520 CC(C)C[C@@H](N)C1=CNC2=CC=CC=C12 MCULE-6771201918 [0,1,0,0,1,0|1,0,1]=4 240 B16R2.520 CC(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6371460252 [0,1,0,0,1,0|1,0,1]=4 241 B16R2.520 CC(C)C[C@H](N)C1=CNC2=CC=CC=C12 MCULE-6841396035 [0,1,0,0,1,0|1,0,1]=4 242 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [0,1,0,0,1,0|1,0,0]=3 243 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [0,1,0,0,1,0|1,0,0]=3 244 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [0,1,0,0,1,0|1,0,0]=3 245 B16R2.2947 CC(C)(C)NCC1=CNC2=C1C=CC=C2 MCULE-8070331450 [0,1,0,0,1,0|1,0,1]=4 246 B16R2.2947 CC(C)(C)NCC1=CNC2=C1C=CC=C2 MCULE-9189699425 [0,1,0,0,1,0|1,0,1]=4 247 B16R2.2947 CN(=O)(C)CCC1=CNC2=C1C=CC=C2 MCULE-1626095060 [0,1,0,0,1,0|1,0,0]=3 248 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [0,1,0,0,1,0|1,0,0]=3 249 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [0,1,0,0,1,0|1,0,0]=3 250 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [0,1,0,0,1,0|1,0,0]=3 251 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [0,1,0,0,1,0|1,0,0]=3 252 B16R2.4003 CC(=O)N/N=C/1\C(=O)NC2=C1C=CC=C2 MCULE-5002842208 [0,1,0,0,1,0|1,0,0]=3 253 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)N MCULE-2768308411 [0,1,0,0,1,0|1,0,0]=3 254 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCN(C)C MCULE-8080330116 [0,1,0,0,1,0|2,0,0]=4 255 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CNC(C)C MCULE-3632119158 [0,1,0,0,1,0|1,0,1]=4 256 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CNC(C)C MCULE-6629438719 [0,1,0,0,1,0|1,0,1]=4 257 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [0,1,0,0,1,0|2,0,0]=4 258 B16R2.4003 CC1=C(C2=C(O1)C=CC=C2)CNC(=O)N MCULE-1200522848 [0,1,0,0,1,0|2,0,0]=4 259 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [0,1,0,0,1,0|1,0,0]=3 260 B16R2.4003 CC1=C(C2=CC=CN=C2N1)CCC(=O)O MCULE-2514335887 [0,1,0,0,1,0|2,0,0]=4 261 B16R2.4003 NC(=O)N/N=C/1\C(=O)NC2=CC=CC=C12 MCULE-5648757054 [0,1,0,0,1,0|2,0,0]=4 262 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 MCULE-5570047144 [0,1,0,0,1,0|1,0,1]=4 263 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 MCULE-8426898486 [0,1,0,0,1,0|2,0,0]=4 264 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [0,1,0,0,1,0|0,0,0]=2 265 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [0,1,0,0,1,0|0,0,0]=2 266 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [0,1,0,0,1,0|1,0,0]=3 267 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [0,1,0,0,1,0|1,0,0]=3 268 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-1556032580 [0,1,0,0,1,0|2,0,0]=4 269 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-4252363733 [0,1,0,0,1,0|2,0,0]=4 270 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N MCULE-2093808664 [0,1,0,0,1,0|2,0,0]=4 271 B16R2.15551 CN(C)CCC1=CNC2=CC=C(C=C12)Br MCULE-4875343540 [0,1,0,0,1,0|2,0,0]=4 272 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [0,1,0,0,1,0|1,0,0]=3 273 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [0,1,0,0,1,0|1,0,0]=3 274 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [0,1,0,0,1,0|1,0,0]=3 275 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [0,1,0,0,1,0|1,0,0]=3 276 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [0,1,0,0,1,0|1,0,0]=3 277 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [0,1,0,0,1,0|1,0,0]=3 278 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [0,1,0,0,1,0|1,0,0]=3 279 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [0,1,0,0,1,0|1,0,0]=3 280 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [0,1,0,0,1,0|1,0,0]=3 281 B16R2.22904 CN(C)CCC1=CNC2=C1C(=CC=C2)O MCULE-3450497263 [0,1,0,0,1,0|2,0,0]=4 282 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [0,1,0,0,1,0|1,0,0]=3 283 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [0,1,0,0,1,0|1,0,0]=3 284 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [0,1,0,0,1,0|1,0,0]=3 285 B16R2.104522 CC(=O)/C=C/C1=CN(C2=C1C=CC=C2)C MCULE-1922733032 [0,1,0,0,1,0|0,0,2]=4 286 B16R2.104522 CC(=O)C=CC1=CN(C2=C1C=CC=C2)C MCULE-8021518100 [0,1,0,0,1,0|0,0,2]=4 287 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [0,1,0,0,1,0|1,0,0]=3 288 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)N MCULE-3627246897 [0,1,0,0,1,0|2,0,0]=4 289 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [0,1,0,0,1,0|2,0,0]=4 290 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-4973059418 [0,1,0,0,1,0|2,0,0]=4 291 B16R2.104522 CN1C=[N+](C2=C1C=CC=C2)CCC(=O)N MCULE-9879778332 [0,1,0,0,1,0|2,0,0]=4 292 B18R2.11 O=C(O)CNC(=O)CC1=CNC2=C1C=CC=C2 MCULE-7715360013 [0,1,0,0,0,1|1,0,1]=4 293 B18R2.179 CC(C)C(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9131635598 [0,1,0,0,0,1|1,0,1]=4 294 B18R2.179 CC(Cl)C(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9258249706 [0,1,0,0,0,1|1,0,1]=4 295 B18R2.375 COC(=O)CNCCC1=CNC2=C1C=CC=C2 MCULE-2451353974 [0,1,0,0,0,1|0,0,0]=2 296 B18R2.6176 CC(=O)NCCCN1C(=O)OC2=CC=CC=C12 MCULE-6324773264 [0,1,0,0,0,1|2,0,0]=4 297 B18R2.6176 CC(=O)NCCSC1=C(NC2=C1C=CC=C2)C MCULE-8276583320 [0,1,0,0,0,1|0,0,0]=2 298 B18R2.7182 O=C(O)CCCC(=O)C1=CNC2=C1C=CC=C2 MCULE-4017484698 [0,1,0,0,0,1|2,0,0]=4 299 B18R2.7182 O=C([O-])CCCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5624538151 [0,1,0,0,0,1|2,0,0]=4 300 B18R2.40893 CC(=O)NCCCC1=CNC2=C1C=C(C=C2)C MCULE-3241605365 [0,1,0,0,0,1|0,0,0]=2 301 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Br MCULE-9504069883 [0,1,0,0,0,1|0,0,0]=2 302 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Cl MCULE-7359629042 [0,1,0,0,0,1|0,0,0]=2 303 B18R2.31660 CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)O MCULE-6588919744 [0,1,0,0,0,1|1,0,0]=3 304 B18R2.741502 O=C(CCl)NCCC1=C2C=CC=CC2=CC=C1 MCULE-6503205006 [0,1,0,0,0,1|1,0,0]=3 305 B18R2.741502 O=C(CCl)NCCC1=C2N=CC=CC2=CC=C1 MCULE-5624687674 [0,1,0,0,0,1|2,0,0]=4 306 B18R2.741502 O=C(CCl)NCCC1=C2N=CC=CC2=CC=C1 MCULE-9582536163 [0,1,0,0,0,1|2,0,0]=4 307 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-2631192696 [0,2,0,0,0,0|0,0,0]=2 308 B18R2.1 CC(CC1=CNC2=C1C=CC=C2)NC(=O)CN MCULE-8886917046 [0,2,0,0,0,0|0,0,0]=2 309 B18R2.1 CC(CC1=CNC2=CC=CC=C12)NC(=O)CCl MCULE-9634480354 [0,2,0,0,0,0|0,0,0]=2 310 B18R2.1 CCC(=O)NC(C)CC1=CNC2=C1C=CC=C2 MCULE-8652738369 [0,2,0,0,0,0|0,0,0]=2 311 B18R2.1 CCC(=O)NC(C)CC1=CSC2=CC=CC=C12 MCULE-6664950620 [0,2,0,0,0,0|1,0,0]=3 312 B18R2.1 COC(=O)CC(=O)CC1=CNC2=CC=CC=C12 MCULE-2568843439 [0,2,0,0,0,0|1,0,1]=4 313 B18R2.1 COC(=O)NC(C)CC1=CSC2=CC=CC=C12 MCULE-9916470942 [0,2,0,0,0,0|1,0,0]=3 314 B18R2.9 CC=CC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-8728358053 [0,2,0,0,0,0|0,0,0]=2 315 B18R2.9 CCCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-2961469190 [0,2,0,0,0,0|0,0,0]=2 316 B18R2.9 CCNC(=S)NCCC1=CNC2=C1C=CC=C2 MCULE-1734710777 [0,2,0,0,0,0|0,1,0]=3 317 B18R2.9 CCOC(=O)CCCC1=CNC2=C1C=CC=C2 MCULE-3899640980 [0,2,0,0,0,0|1,0,0]=3 318 B18R2.9 CCOC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-5989066260 [0,2,0,0,0,0|1,0,1]=4 319 B18R2.9 COCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-6257773723 [0,2,0,0,0,0|0,0,0]=2 320 B18R2.9 N#CCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-9692608056 [0,2,0,0,0,0|0,0,0]=2 321 B18R2.9 N#CCC(=O)NN=CC1=CNC2=C1C=CC=C2 MCULE-8427080235 [0,2,0,0,0,0|1,0,1]=4 322 B18R2.9 NCCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-7619206355 [0,2,0,0,0,0|0,0,0]=2 323 B18R2.9 NCCC(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-8357024163 [0,2,0,0,0,0|0,0,0]=2 324 B18R2.9 O=C(CCCl)NCCC1=CNC2=CC=CC=C12 MCULE-8203233721 [0,2,0,0,0,0|0,0,0]=2 325 B18R2.37 CN(CCN1C=NC2=CC=CC=C12)C(=O)CO MCULE-9190335572 [0,2,0,0,0,0|1,0,1]=4 326 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=C1C=CC=C2 MCULE-4223568421 [0,2,0,0,0,0|1,0,0]=3 327 B18R2.37 COC(=O)[C@H](C)CCC1=CNC2=CC=CC=C12 MCULE-8658266674 [0,2,0,0,0,0|1,0,0]=3 328 B18R2.117 CCS(=O)(=O)NCCC1=CNC2=C1C=CC=C2 MCULE-7017336834 [0,2,0,0,0,0|1,0,0]=3 329 B18R2.10039 COC(=O)CCC(=O)C1=CNC2=C1C=CC=C2 MCULE-5524546254 [0,2,0,0,0,0|1,0,1]=4 330 B18R2.10039 COC(=O)NCC(O)C1=CSC2=CC=CC=C12 MCULE-1729659621 [0,2,0,0,0,0|1,0,0]=3 331 B18R2.101402 CCC(=O)NCCC1=CN(C2=NC=CC=C12)C MCULE-9309602188 [0,2,0,0,0,0|1,0,0]=3 332 B18R2.101402 CN1C=C(C2=C1C=CC=C2)CCCC(=O)NN MCULE-3284485380 [0,2,0,0,0,0|2,0,0]=4 333 B18R2.101402 COC(=O)CCCC1=CN(C2=C1C=CC=C2)C MCULE-8528235782 [0,2,0,0,0,0|1,0,0]=3 334 B18R2.101408 CC1=C(C2=C(N1)C=CC=C2)CCNC(=O)CCl MCULE-5818273832 [0,2,0,0,0,0|0,0,0]=2 335 B18R2.101408 CC1=C(C2=CC=CC=C2N1)C=NNC(=O)CO MCULE-2536067334 [0,2,0,0,0,0|1,0,1]=4 336 B18R2.101408 CNC(=S)NCCC1=C(NC2=C1C=CC=C2)C MCULE-3578344368 [0,2,0,0,0,0|0,1,0]=3 337 B18R2.101408 COC(=O)CCCN1C(=S)NC2=CC=CC=C12 MCULE-6173684612 [0,2,0,0,0,0|2,0,0]=4 338 B18R2.101408 COC(=O)NN=CC1=C(NC2=C1C=CC=C2)C MCULE-7223331068 [0,2,0,0,0,0|1,0,1]=4 339 B18R2.101408 COC(=O)NN=CC1=C(NC2=C1C=CC=C2)Cl MCULE-5589796036 [0,2,0,0,0,0|1,0,1]=4 340 B18R2.746213 C=CC(=O)NCCC1=CNC2=CC=C(C=C12)C MCULE-6444833468 [0,2,0,0,0,0|0,0,1]=3 341 B18R2.746213 CCC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-3780380728 [0,2,0,0,0,0|0,0,0]=2 342 B18R2.746213 NCC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl MCULE-8715349415 [0,2,0,0,0,0|0,0,0]=2 343 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-4556328112 [0,2,0,0,0,0|0,0,0]=2 344 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-1352184206 [0,2,0,0,0,0|0,0,0]=2 345 B18R2.746213 NCC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-2542107163 [0,2,0,0,0,0|0,0,0]=2 346 B18R2.746213 O=C(CCl)NCCC1=CNC2=CC=C(C=C12)F MCULE-2652503746 [0,2,0,0,0,0|0,0,0]=2 347 B18R2.484079 CC(C)N(C)CCC1=CNC2=C1C(=CC=C2)O MCULE-4406451080 [0,2,0,0,0,0|1,0,1]=4 348 B18R2.14817 CC(CC1=CSC2=CC=CC=C12)NS(=O)(=O)C MCULE-2757763318 [0,2,0,0,0,0|2,0,0]=4 349 B18R2.61976 CC(=O)N[C@H](C)CN1C(=O)OC2=C1C=CC=C2 MCULE-7094185340 [0,2,0,0,0,0|2,0,0]=4 350 B18R2.6177 CC(=O)OCC(=O)C1=C(NC2=C1C=CC=C2)C MCULE-3332615059 [0,2,0,0,0,0|1,0,1]=4 351 B18R2.7203 CS(=O)(=O)NCC(O)C1=CSC2=CC=CC=C12 MCULE-8430843137 [0,2,0,0,0,0|2,0,0]=4 352 B18R2.40892 CC1=CC=C2NC=C(C2=C1)CCNS(=O)(=O)C MCULE-3351968600 [0,2,0,0,0,0|1,0,0]=3 353 B18R2.40892 CS(=O)(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-3273796123 [0,2,0,0,0,0|1,0,0]=3 354 B18R2.59660 CS(=O)(=O)NCCC1=CNC2=CC=CC(=C12)O MCULE-1974289906 [0,2,0,0,0,0|1,0,0]=3 355 B18R2.3109 COC1=CC2=C(C=C1)N(C=C2)CCNC(=O)C MCULE-5483049218 [0,2,0,0,0,0|2,0,0]=4 356 B18R2.33002 CC(=O)NCCN1C(=O)OC2=CC(=CC=C12)Cl MCULE-9514129539 [0,2,0,0,0,0|2,0,0]=4 357 B18R2.33002 O=C(O)CCCC1=C(NC2=C1C=CC(=C2)Br)Br MCULE-8378993756 [0,2,0,0,0,0|2,0,0]=4 358 B18R2.2313821 CC1=C(C2=CC=CC=C2N1C)CCCC(=O)O MCULE-1525551204 [0,2,0,0,0,0|2,0,0]=4 359 B18R2.120971 CCC1=CC=C2SC=C(C2=C1)CCNC(=O)C MCULE-3758918719 [0,2,0,0,0,0|1,0,0]=3 360 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [0,2,0,0,0,0|2,0,0]=4 361 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-8622954894 [0,2,0,0,0,0|2,0,0]=4 362 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-9015984521 [0,2,0,0,0,0|2,0,0]=4 363 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [0,2,0,0,0,0|0,0,0]=2 364 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [0,2,0,0,0,0|1,0,0]=3 365 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [0,2,0,0,0,0|1,0,1]=4 366 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [0,2,0,0,0,0|1,0,1]=4 367 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CCNC(=N)N MCULE-3412630137 [0,2,0,0,0,0|2,0,0]=4 368 B18R2.105316 COC1=CC=CC2=C1C=CN2CCNC(=O)C MCULE-7978668674 [0,2,0,0,0,0|2,0,0]=4 369 B18R2.254903 CCN1C=C(C2=CC=CC=C12)CCCC(=O)O MCULE-1970610125 [0,2,0,0,0,0|2,0,0]=4 370 B18R2.254903 CCN1C=C(C2=CC=CN=C12)CCNC(=O)C MCULE-5603769500 [0,2,0,0,0,0|1,0,0]=3 371 B16R2.252 O=C1CCC/C(=N/NC2=CC=CC=C2)/C1 MCULE-2237711933 [0,0,1,1,0,0|2,0,0]=4 372 B16R2.252 O=C1CCCC(=NNC2=CC=CC=C2)C1 MCULE-1880637954 [0,0,1,1,0,0|2,0,0]=4 373 B16R2.492 CC(=O)NCCC1=CN2C=CC=CC2=N1 MCULE-9604237363 [0,0,1,1,0,0|1,0,0]=3 374 B16R2.157 CC(=O)NC1=NC(=CN1)C2=CC=CC=C2 MCULE-8067408955 [0,0,1,1,0,0|1,0,1]=4 375 B16R2.81677 CC(=O)N1CCC(=O)C2=C(C1)C=CC=C2 MCULE-6521821479 [0,0,1,1,0,0|2,0,0]=4 376 B16R3.8 C1=CC2=C(C=C1)C(=CN2)C3CCNC3 MCULE-4243882635 [1,0,0,1,0,0|0,0,1]=3 377 B16R3.8 C1=CC=C2C(=C1)NN=C2C3CCNC3 MCULE-2021525562 [1,0,0,1,0,0|1,0,1]=4 378 B16R3.1722 C1=CC2=C(C=C1)C3=C(N2)CCCCC3 MCULE-8668206229 [1,0,0,1,0,0|1,0,1]=4 379 B16R3.1722 C1=CC2=C(C=C1)C3=C(N2)CCNCC3 MCULE-2272757880 [1,0,0,1,0,0|0,0,1]=3 380 B16R3.1722 C1=CC=C2C(=C1)NC3=C2CCCNC3 MCULE-4752378298 [1,0,0,1,0,0|2,0,0]=4 381 B16R3.3329 CC1=NCCC2=C1NC3=C2C=CC=C3 MCULE-2765797747 [1,0,0,1,0,0|0,0,1]=3 382 B16R3.3329 CC1NCCC2=C1NC3=C2C=CC=C3 MCULE-3839421650 [1,0,0,1,0,0|0,0,1]=3 383 B16R3.3329 CC1NCCC2=C1NC3=CC=CC=C23 MCULE-3287499983 [1,0,0,1,0,0|0,0,1]=3 384 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 MCULE-8165438115 [1,0,0,1,0,0|1,0,0]=3 385 B16R3.3329 O=C1CCCC2=C1SC3=C2C=CC=C3 MCULE-9438365848 [1,0,0,1,0,0|2,0,0]=4 386 B16R3.3329 O=C1NC=CC2=C1NC3=C2C=CC=C3 MCULE-7536068251 [1,0,0,1,0,0|0,0,2]=4 387 B16R3.3329 O=C1NC=NC2=C1NC3=C2C=CC=C3 MCULE-5202535583 [1,0,0,1,0,0|1,0,1]=4 388 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 MCULE-9673359265 [1,0,0,1,0,0|0,0,0]=2 389 B16R3.3329 O=C1NCCN2C1=CC3=C2C=CC=C3 MCULE-1783434034 [1,0,0,1,0,0|2,0,0]=4 390 B16R3.3329 O=C1NN=CC2=C1NC3=CC=CC=C23 MCULE-3054406305 [1,0,0,1,0,0|1,0,1]=4 391 B16R3.27932 O=C1NN=CC2=CNC3=C2C1=CC=C3 MCULE-5184663239 [1,0,0,1,0,0|1,0,1]=4 392 B16R3.2637 CN1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-2318549673 [0,0,0,1,1,0|2,0,0]=4 393 B16R3.2637 C[N+]1=CC2=C(CC1)C3=C(N2)C=CC=C3 MCULE-1304770593 [0,0,0,1,1,0|2,0,0]=4 394 B16R3.2637 C[N+]1=CC2=C(CC1)C3=C(N2)C=CC=C3 MCULE-4957211827 [0,0,0,1,1,0|2,0,0]=4 395 B16R3.2637 NC1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-7431006251 [0,0,0,1,1,0|1,0,1]=4 396 B16R3.2637 O=C1CC2=C(CN1)C3=C(N2)C=CC=C3 MCULE-3979644775 [0,0,0,1,1,0|0,0,0]=2 397 B16R3.2637 O=C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-1954151692 [0,0,0,1,1,0|0,0,0]=2 398 B16R3.2637 O=C1N=C2NC3=CC=CC=C3C2=NN1 MCULE-4521836550 [0,0,0,1,1,0|2,0,0]=4 399 B16R3.17569 O=C1CCC2=CNC3=C2C(=CC=C3)N1 MCULE-1424890738 [0,0,0,1,1,0|1,0,0]=3 400 B18R3.2886 O=C1NC(CO1)CC2=CNC3=C2C=CC=C3 MCULE-9763410290 [0,0,0,1,0,1|2,0,0]=4 401 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-3671680420 [0,0,0,1,0,1|2,0,0]=4 402 B18R3.2886 O=C1N[C@@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-5259168916 [0,0,0,1,0,1|2,0,0]=4 403 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-7199937431 [0,0,0,1,0,1|2,0,0]=4 404 B18R3.2886 O=C1N[C@H](CO1)CC2=CNC3=C2C=CC=C3 MCULE-8291836045 [0,0,0,1,0,1|2,0,0]=4 405 B18R3.117422 CC(=O)N1CCCN2C1=NC3=C2C=CC=C3 MCULE-3865172855 [0,0,0,1,0,1|1,0,1]=4 406 B18R3.117422 CC(C)C1NCCC2=C1NC3=CC=CC=C23 MCULE-2193249462 [0,0,0,1,0,1|1,0,1]=4 407 B18R3.117422 NC(=O)C1CCCC2=C1NC3=CC=CC=C23 MCULE-3806163207 [0,0,0,1,0,1|2,0,0]=4 408 B18R3.117422 NC(=O)C1NCCC2=C1NC3=C2C=CC=C3 MCULE-6293392121 [0,0,0,1,0,1|1,0,0]=3 409 B18R3.117422 NC(=O)C1[NH2+]CCC2=C1NC3=C2C=CC=C3 MCULE-5381256007 [0,0,0,1,0,1|1,0,1]=4 410 B18R3.117422 O=C(O)C1CCCC2=C1NC3=CC=CC=C23 MCULE-3441343070 [0,0,0,1,0,1|2,0,0]=4 411 B18R3.117422 O=C([O-])C1[NH2+]CCC2=C1NC3=CC=CC=C23 MCULE-8223119168 [0,0,0,1,0,1|1,0,1]=4 412 B18R3.2942 O=C1NC[C@@H](N1)C2=CC3=C(C=CC=C3)C=C2 MCULE-3723206214 [0,0,0,1,0,1|2,0,0]=4 413 B18R3.2942 O=C1NC[C@@H](N1)C2=NC3=C(C=CC=C3)C=C2 MCULE-4653227300 [0,0,0,1,0,1|2,0,0]=4 414 B18R3.2942 O=C1NC[C@H](N1)C2=CC3=C(C=CC=C3)C=C2 MCULE-5061205113 [0,0,0,1,0,1|2,0,0]=4 415 B18R3.2942 O=C1NC[C@H](N1)C2=NC3=C(C=CC=C3)C=C2 MCULE-5389728888 [0,0,0,1,0,1|2,0,0]=4 416 B18R3.1002278 CC(=O)N1CCC2=CC3=CC=CC=C3N=C12 MCULE-7086132011 [0,0,0,1,0,1|0,0,1]=3 417 B18R3.2910 O=C1NC[C@@H](N1)C2=CC=CC3=C2C=CC=C3 MCULE-9419061092 [0,0,0,1,0,1|2,0,0]=4 418 B18R3.2910 O=C1NC[C@@H](N1)C2=CC=NC3=C2C=CC=C3 MCULE-4548850120 [0,0,0,1,0,1|1,0,1]=4 419 B18R3.2910 O=C1NC[C@H](N1)C2=CC=CC3=C2C=CC=C3 MCULE-3182374961 [0,0,0,1,0,1|2,0,0]=4 420 B18R3.2910 O=C1NC[C@H](N1)C2=CC=NC3=C2C=CC=C3 MCULE-6115005095 [0,0,0,1,0,1|1,0,1]=4 421 B18R3.115974 CC(=O)OC1CC2=CC=CC3=C2C1=CC=C3 MCULE-3625342590 [0,0,0,1,0,1|2,0,0]=4 422 B18R3.140294 CCC(=O)N1CCN2C1=NC3=C2C=CC=C3 MCULE-6628094627 [0,1,0,1,0,0|1,0,1]=4 423 B18R3.140294 O=C(CCl)N1CCN2C1=NC3=CC=CC=C23 MCULE-5439773881 [0,1,0,1,0,0|1,0,1]=4 424 B18R3.116932 CC(=O)N1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-9896510949 [0,1,0,1,0,0|0,0,0]=2 425 B18R3.116932 O=C(O)C1CCC2=C(C1)NC3=C2C=CC=C3 MCULE-4262719832 [0,1,0,1,0,0|2,0,0]=4 426 B18R3.85172 O=C1CC(C(=O)N1)C2=CNC3=C2C=CC=C3 MCULE-5497928643 [0,1,0,1,0,0|0,0,1]=3 427 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@@H]3CNC(=O)N3 MCULE-4495665691 [0,1,0,1,0,0|1,0,0]=3 428 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@@H]3COC(=O)N3 MCULE-6716305916 [0,1,0,1,0,0|2,0,0]=4 429 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@H]3CNC(=O)N3 MCULE-2356644249 [0,1,0,1,0,0|1,0,0]=3 430 B18R3.30529 CC1=C(C2=C(N1)C=CC=C2)[C@H]3COC(=O)N3 MCULE-1417590373 [0,1,0,1,0,0|2,0,0]=4 431 B18R3.30670 O=C1NC[C@@H](N1)C2=CNC3=C2C=C(C=C3)Br MCULE-5544262829 [0,1,0,1,0,0|1,0,0]=3 432 B18R3.30670 O=C1NC[C@H](N1)C2=CNC3=C2C=C(C=C3)Br MCULE-6216601742 [0,1,0,1,0,0|1,0,0]=3 433 B18R3.30670 O=C1N[C@@H](CO1)C2=CNC3=C2C=C(C=C3)Br MCULE-3694748414 [0,1,0,1,0,0|2,0,0]=4 434 B18R3.30670 O=C1N[C@H](CO1)C2=CNC3=C2C=C(C=C3)Br MCULE-6457849966 [0,1,0,1,0,0|2,0,0]=4 435 B18R3.4096714 CC1=CC2=C(C=C1)NC3=C2CCC3C(=O)N MCULE-5246304273 [0,1,0,1,0,0|2,0,0]=4 436 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@@H]3CNC(=O)N3 MCULE-7430679533 [0,1,0,1,0,0|1,0,0]=3 437 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@@H]3COC(=O)N3 MCULE-9720506921 [0,1,0,1,0,0|2,0,0]=4 438 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@H]3CNC(=O)N3 MCULE-4213211310 [0,1,0,1,0,0|1,0,0]=3 439 B18R3.30385 CN1C=C(C2=C1C=CC=C2)[C@H]3COC(=O)N3 MCULE-2804811700 [0,1,0,1,0,0|2,0,0]=4 440 B14R1.96 COC1=C(C=CC=C1)CCNC(=O)C MCULE-5261982537 [0,0,1,0,1,0|1,0,1]=4 441 B14R1.422 CC(=O)NCCCCC1=CC=CC=C1 MCULE-7414237851 [0,0,1,0,1,0|0,0,2]=4 442 B14R1.422 CC(=O)NCCNCC1=CC=CC=C1 MCULE-8080121287 [0,0,1,0,1,0|1,0,1]=4 443 B14R1.422 CC(=O)NN=CC=CC1=CC=CC=C1 MCULE-9565060234 [0,0,1,0,1,0|1,0,1]=4 444 B14R1.540 NN=C(CCC(=O)O)C1=CC=CC=C1 MCULE-6558474133 [0,0,1,0,1,0|2,0,0]=4 445 B14R1.160 CC(=O)COC(=O)C1=CC=CC=C1N MCULE-1132914706 [0,0,1,0,1,0|2,0,0]=4 446 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1N MCULE-9212827880 [0,0,1,0,1,0|2,0,0]=4 447 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [0,0,0,0,2,0|0,0,0]=2 448 B14R2.2 CC(=O)CC1=COC2=C1C=CC=C2 MCULE-3973293992 [0,0,0,0,2,0|1,0,0]=3 449 B14R2.2 CC(=O)CN1C=NC2=CC=CC=C12 MCULE-3832574750 [0,0,0,0,2,0|1,0,1]=4 450 B14R2.2 CC(=O)NC1=COC2=C1C=CC=C2 MCULE-9807063985 [0,0,0,0,2,0|1,0,0]=3 451 B14R2.2 CC(=O)NC1=CSC2=C1C=CC=C2 MCULE-7792331332 [0,0,0,0,2,0|1,0,0]=3 452 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 MCULE-7756909848 [0,0,0,0,2,0|1,0,0]=3 453 B14R2.2 CC(=O)OC1=CNC2=NC=CC=C12 MCULE-5449366993 [0,0,0,0,2,0|2,0,0]=4 454 B14R2.2 CC(=O)OC1=COC2=CC=CC=C12 MCULE-4744302330 [0,0,0,0,2,0|2,0,0]=4 455 B14R2.2 CC(=O)OC1=CSC2=CC=CC=C12 MCULE-3834495045 [0,0,0,0,2,0|2,0,0]=4 456 B14R2.2 CC(=O)OC1=NNC2=C1C=CC=C2 MCULE-2085686123 [0,0,0,0,2,0|2,0,0]=4 457 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 MCULE-6417482430 [0,0,0,0,2,0|1,0,1]=4 458 B14R2.2 CC(O)CC1=CNC2=CC=CC=C12 MCULE-4095237423 [0,0,0,0,2,0|0,0,2]=4 459 B14R2.2 CC([NH3+])CC1=CNC2=C1C=CC=C2 MCULE-6948366681 [0,0,0,0,2,0|1,0,1]=4 460 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 MCULE-6015845238 [0,0,0,0,2,0|2,0,0]=4 461 B14R2.2 CN(C)CC1=CNC2=CC=CC=C12 MCULE-3643815953 [0,0,0,0,2,0|2,0,0]=4 462 B14R2.2 C[C@@H](N)CC1=CNC2=C1C=CC=C2 MCULE-8293811191 [0,0,0,0,2,0|1,0,1]=4 463 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-5882898867 [0,0,0,0,2,0|2,0,0]=4 464 B14R2.2 N=C(N)CC1=CNC2=C1C=CC=C2 MCULE-6089875221 [0,0,0,0,2,0|2,0,0]=4 465 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [0,0,0,0,2,0|1,0,0]=3 466 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [0,0,0,0,2,0|2,0,0]=4 467 B14R2.2 NC(=S)CC1=CNC2=C1C=CC=C2 MCULE-8809650069 [0,0,0,0,2,0|1,1,0]=4 468 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [0,0,0,0,2,0|1,0,0]=3 469 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [0,0,0,0,2,0|1,0,0]=3 470 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 MCULE-3393546300 [0,0,0,0,2,0|2,0,0]=4 471 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1011345996 [0,0,0,0,2,0|2,0,0]=4 472 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1460737867 [0,0,0,0,2,0|2,0,0]=4 473 B14R2.2 O=C(O)CC1=CNC2=CC=CN=C12 MCULE-7199890870 [0,0,0,0,2,0|2,0,0]=4 474 B14R2.2 O=C(O)CC1=CNC2=NC=CC=C12 MCULE-3834471692 [0,0,0,0,2,0|2,0,0]=4 475 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 MCULE-6197784001 [0,0,0,0,2,0|2,0,0]=4 476 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 MCULE-5976245234 [0,0,0,0,2,0|2,0,0]=4 477 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C12 MCULE-8082948728 [0,0,0,0,2,0|2,0,0]=4 478 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [0,0,0,0,2,0|1,0,0]=3 479 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [0,0,0,0,2,0|1,0,0]=3 480 B16R1.10817 CC(=O)NCCNC(=O)C1=C(C=CC=C1)N MCULE-3863394460 [0,0,1,0,0,1|1,0,0]=3 481 B16R1.10817 CC(=O)NCCSC(=O)C1=C(C=CC=C1)F MCULE-4933316884 [0,0,1,0,0,1|2,0,0]=4 482 B18R2.176 O=C(O)CCCCCC1=CNC2=C1C=CC=C2 MCULE-9169474804 [0,0,0,0,0,2|2,0,0]=4 483 B18R2.176 O=C(O)CCNCCC1=CNC2=C1C=CC=C2 MCULE-3149141549 [0,0,0,0,0,2|1,0,0]=3 484 B18R2.9909 CC(=O)NCCOC1=CC2=CC=CC=C2C=C1 MCULE-3008129317 [0,0,0,0,0,2|1,0,0]=3 485 B18R2.556536 CC(=O)NCCNC1=C2C=CC=CC2=CC=C1 MCULE-1188974648 [0,0,0,0,0,2|1,0,0]=3 486 B18R2.556536 CC(=O)NCCOC1=C2C=CC=CC2=CC=C1 MCULE-9322464364 [0,0,0,0,0,2|1,0,0]=3 487 B18R2.556536 CC(=O)NCCOC1=C2N=CC=CC2=CC=C1 MCULE-1093437576 [0,0,0,0,0,2|2,0,0]=4 488 B18R2.556536 CC(=O)NCCOC1=CC=CC2=CC=CN=C12 MCULE-7897201846 [0,0,0,0,0,2|2,0,0]=4