0 B13R1.153 CCCCC(=O)OCC1=CC=CO1 MCULE-7305756450 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.153 CCNCC(=O)NCC1=CC=CS1 MCULE-6079453843 [0,0,0,0,0,0|2,1,0]=3 2 B13R1.153 CCNCC(=O)NCC1=CC=CS1 MCULE-9220537470 [0,0,0,0,0,0|2,1,0]=3 3 B13R1.153 CCOCC(=O)NCC1=CSC=C1 MCULE-4791758852 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.37 CCCCCCCC1=CC=CO1 MCULE-4055197722 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.37 CNCCCNCC1=CC=CO1 MCULE-3323090345 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.37 COCCCNCC1=CC=CO1 MCULE-8670337000 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.37 COCCCNCC1=CC=CO1 MCULE-9438824002 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.51 CCNC(=O)NCC1=CC=CO1 MCULE-6559693536 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.51 CCNC(=O)OCC1=COC=C1 MCULE-5690127424 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.51 CCNC(=S)NCC1=CC=CO1 MCULE-3117463596 [1,0,0,0,0,0|2,1,0]=4 11 B12R1.51 CCOC(=O)/C=C/C1=CC=CO1 MCULE-7171775414 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.51 CCOC(=O)C=CC1=CC=CO1 MCULE-9891032976 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.51 CCOC(=O)CCC1=CC=CN1 MCULE-8213228851 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.51 CCOC(=O)CCC1=CC=CO1 MCULE-5340258921 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.51 CNCC(=O)NCC1=CC=CO1 MCULE-6693081414 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.51 CNCC(=O)NCC1=CC=CO1 MCULE-8188098584 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.51 CNCC(=O)NCC1=CC=CS1 MCULE-4507833199 [1,0,0,0,0,0|2,1,0]=4 18 B12R1.51 CNCC(=O)NCC1=CC=CS1 MCULE-5352648006 [1,0,0,0,0,0|2,1,0]=4 19 B12R1.51 N#CCC(=O)NCC1=CC=CO1 MCULE-2709416470 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.51 NCCC(=O)NCC1=CC=CO1 MCULE-3975764461 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.51 NCCC(=O)NCC1=CC=CO1 MCULE-8814124885 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.51 O=C(CCBr)NCC1=CC=CS1 MCULE-8045641035 [1,0,0,0,0,0|2,1,0]=4 23 B12R1.51 O=C(CCCl)NCC1=CC=CO1 MCULE-5813534472 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.51 O=C(CCCl)NCC1=CC=CS1 MCULE-1033111925 [1,0,0,0,0,0|2,1,0]=4 25 B14R1.86 CCCCCC(=O)NCC1=CC=CS1 MCULE-6557748432 [0,1,0,0,0,0|1,1,0]=3 26 B14R1.86 CCCCNC(=O)C=CC1=CC=CS1 MCULE-1357910038 [0,1,0,0,0,0|1,1,1]=4 27 B14R1.86 COCCNC(=O)NCC1=CC=CO1 MCULE-1345453367 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.86 N#N=NCCC(=O)NCC1=CC=CO1 MCULE-6164512013 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.137 CCCNC(=O)NC(C)C1=CC=CS1 MCULE-2106076096 [0,1,0,0,0,0|2,1,0]=4 30 B14R1.155 CCCCC(=O)NCC1=CN=C(S1)C MCULE-8728525924 [0,1,0,0,0,0|2,1,0]=4 31 B14R1.155 CCCCC(=O)NCC1=CSC(=N1)C MCULE-9381863281 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.588 CCC(C)NC(=O)C=CC1=CC=CO1 MCULE-3732657420 [0,1,0,0,0,0|2,0,1]=4 33 B14R1.588 CCC(C)NC(=O)NCC1=CC=CO1 MCULE-5153856098 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.588 CCC(C)NC(=O)NCC1=CC=CS1 MCULE-4899532549 [0,1,0,0,0,0|2,1,0]=4 35 B14R1.633 CCCC(C)C(=O)NCC1=CC=CO1 MCULE-4881033768 [0,1,0,0,0,0|1,0,0]=2 36 B14R1.633 CCNC(=O)C(=O)NCC1=CC=CO1 MCULE-9911984607 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.633 CCOC(=O)C(=O)NCC1=CC=CO1 MCULE-6052011430 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.4526 CC(C)CNC(=O)C=CC1=CC=CO1 MCULE-4939918074 [0,1,0,0,0,0|2,0,1]=4 39 B14R1.4526 CC(C)CNC(=S)NCC1=CC=CO1 MCULE-3947035813 [0,1,0,0,0,0|2,1,0]=4 40 B14R1.4526 O=C(O)CCC(=O)NCC1=CC=CO1 MCULE-3716600496 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.4526 O=C(O)CCC(=O)OCC1=CC=CO1 MCULE-8251775163 [0,1,0,0,0,0|1,0,1]=3 42 B14R1.4531 CCCCS(=O)(=O)NCC1=CC=CS1 MCULE-7730167894 [0,1,0,0,0,0|2,1,0]=4 43 B12R0.206 CCC=CCCOC(=O)CCCC MCULE-6814187041 [0,0,1,0,0,0|1,0,2]=4 44 B12R0.206 CCCC=CCOC(=O)CCCC MCULE-8437069176 [0,0,1,0,0,0|1,0,2]=4 45 B14R2.50 NC1CCCCC1CC2=CC=CO2 MCULE-3029972273 [0,0,0,1,0,0|2,0,1]=4 46 B14R2.101 C1=COC(=C1)CNC2CCCCC2 MCULE-2428434772 [0,0,0,1,0,0|2,0,1]=4 47 B14R2.101 C1=COC(=C1)CNC2CCCCC2 MCULE-3698591727 [0,0,0,1,0,0|2,0,1]=4 48 B14R2.101 C1=COC(=C1)CNC2CCCCC2 MCULE-8727696510 [0,0,0,1,0,0|2,0,1]=4 49 B14R2.101 C1=COC(=C1)COC2CCCCO2 MCULE-2631879666 [0,0,0,1,0,0|0,0,2]=3 50 B14R2.306 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CS2 MCULE-8837309194 [0,0,0,1,0,0|2,1,0]=4 51 B14R2.388 O=C1CC(SCCN1)C2=CC=CO2 MCULE-6761452794 [0,0,0,1,0,0|3,0,0]=4 52 B14R2.13184 O=C(C=CC1=CC=CO1)NC2CC2 MCULE-3579712924 [0,0,0,1,0,0|2,0,1]=4 53 B14R2.13184 O=C(NCC1=CC=CO1)NC2CC2 MCULE-1396571567 [0,0,0,1,0,0|2,0,0]=3 54 B14R2.13184 O=C(NCC1=CC=CS1)NC2CC2 MCULE-8862495685 [0,0,0,1,0,0|2,1,0]=4 55 B14R2.13184 S=C(NC1CC1)SCC2=CC=CO2 MCULE-6988223924 [0,0,0,1,0,0|1,2,0]=4 56 B14R2.13184 S=C(NCC1=CC=CO1)NC2CC2 MCULE-8130832634 [0,0,0,1,0,0|2,1,0]=4 57 B14R2.40225 O=C(NCC1=CC=CO1)C2CCC2 MCULE-8123111513 [0,0,0,1,0,0|1,0,0]=2 58 B14R2.40225 O=C(NCC1=CC=CS1)C2CCC2 MCULE-1169700148 [0,0,0,1,0,0|1,1,0]=3 59 B14R2.40225 O=C(NCC1=CSC=C1)C2CCC2 MCULE-4909168641 [0,0,0,1,0,0|3,0,0]=4 60 B12R1.53 CCCCC(=O)CC1=CC=CO1 MCULE-9392456198 [0,0,0,0,1,0|0,0,0]=1 61 B12R1.53 CCCCC(=O)NC1=NC=CS1 MCULE-6001342820 [0,0,0,0,1,0|2,1,0]=4 62 B12R1.53 CCCNC(=O)CC1=CC=CS1 MCULE-1836687901 [0,0,0,0,1,0|1,1,0]=3 63 B12R1.53 COCCC(N)CC1=CC=CO1 MCULE-9624931256 [0,0,0,0,1,0|2,0,1]=4 64 B12R1.53 O=C(CC1=CC=CS1)NCCO MCULE-9155400636 [0,0,0,0,1,0|2,1,0]=4 65 B14R1.156 C#CCCC(=O)OCC1=CC=CC=C1 MCULE-7087697421 [0,0,0,0,0,1|1,0,2]=4 66 B14R1.156 C=CCCC(=O)OCC1=CC=CC=C1 MCULE-5063657644 [0,0,0,0,0,1|1,0,2]=4 67 B14R1.156 CCCCC(=O)C#CC1=CC=CC=C1 MCULE-7118004172 [0,0,0,0,0,1|2,0,1]=4 68 B14R1.156 CCCCC(=O)NCC1=CC=NC=C1 MCULE-7858283580 [0,0,0,0,0,1|2,0,0]=3 69 B14R1.156 CCCCC(=O)NCC1=NC=CC=C1 MCULE-9353440186 [0,0,0,0,0,1|2,0,0]=3 70 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 MCULE-5616525060 [0,0,0,0,0,1|1,0,0]=2 71 B14R1.156 CCCNC(=O)NCC1=CC=NC=C1 MCULE-3744544276 [0,0,0,0,0,1|3,0,0]=4 72 B14R1.156 CCNCC(=O)OCC1=CC=CC=C1 MCULE-3343393511 [0,0,0,0,0,1|2,0,0]=3 73 B14R1.156 CCNNC(=O)OCC1=CC=CC=C1 MCULE-3224099312 [0,0,0,0,0,1|3,0,0]=4 74 B14R1.156 COCNC(=O)OCC1=CC=CC=C1 MCULE-3291624519 [0,0,0,0,0,1|3,0,0]=4 75 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 MCULE-4421161071 [0,0,0,0,0,1|2,0,0]=3 76 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 MCULE-7630962615 [0,0,0,0,0,1|2,0,0]=3 77 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 MCULE-9399058680 [0,0,0,0,0,1|2,0,0]=3 78 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 MCULE-5091402269 [0,0,0,0,0,1|3,0,0]=4 79 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 MCULE-6251666047 [0,0,0,0,0,1|3,0,0]=4 80 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 MCULE-7128283672 [0,0,0,0,0,1|2,0,0]=3 81 B14R1.156 O=C(CCCO)NCC1=CC=CC=C1 MCULE-6329513683 [0,0,0,0,0,1|3,0,0]=4 82 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 MCULE-6249999919 [0,0,0,0,0,1|2,0,0]=3 83 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 MCULE-6974797354 [0,0,0,0,0,1|3,0,0]=4 84 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 MCULE-3420736776 [0,0,0,0,0,1|3,0,0]=4 85 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 MCULE-7411524282 [0,0,0,0,0,1|3,0,0]=4 86 B14R1.177 CCCCC(=O)NN=CC1=CC=CN1 MCULE-6111723682 [0,0,0,0,0,1|2,0,1]=4 87 B14R1.177 CCCCC(=O)NN=CC1=CC=CO1 MCULE-6447201481 [0,0,0,0,0,1|1,0,1]=3 88 B11R1.4 CCCCCCC1=CC=CN1 MCULE-8324355758 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.4 CCCCCCC1=CC=CO1 MCULE-6577934191 [2,0,0,0,0,0|0,0,1]=3 90 B11R1.4 CCCCCCC1=CC=CS1 MCULE-5502485047 [2,0,0,0,0,0|0,1,1]=4 91 B11R1.4 CCCCNCC1=CC=CO1 MCULE-3709141682 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.4 CCCCNCC1=CC=CO1 MCULE-4094411907 [2,0,0,0,0,0|1,0,0]=3 93 B11R1.4 CCCCNCC1=CC=CS1 MCULE-3004770636 [2,0,0,0,0,0|1,1,0]=4 94 B11R1.4 CCCCOCC1=CC=CO1 MCULE-6096512915 [2,0,0,0,0,0|0,0,0]=2 95 B11R1.4 CCCC[NH2+]CC1=CC=CS1 MCULE-8760111849 [2,0,0,0,0,0|1,1,0]=4 96 B11R1.4 CCOCOCC1=CC=CO1 MCULE-7347505251 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.4 COCCNCC1=CC=CO1 MCULE-5554326758 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.4 N#CCCOCC1=CC=CO1 MCULE-8535891873 [2,0,0,0,0,0|1,0,1]=4 99 B11R1.4 NCCCCCC1=CC=CO1 MCULE-4456351833 [2,0,0,0,0,0|1,0,1]=4 100 B11R1.4 NCCCCCC1=CC=CO1 MCULE-8774283184 [2,0,0,0,0,0|1,0,1]=4 101 B11R1.4 NCCCNCC1=CC=CO1 MCULE-4303248574 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.4 NCCCSCC1=CC=CO1 MCULE-6766438908 [2,0,0,0,0,0|1,1,0]=4 103 B11R1.4 OCCCNCC1=CC=CO1 MCULE-3788663074 [2,0,0,0,0,0|2,0,0]=4 104 B11R1.25 CCC(=O)NCC1=CC=CO1 MCULE-2079627857 [2,0,0,0,0,0|1,0,0]=3 105 B11R1.25 CCC(=O)NCC1=CC=CS1 MCULE-1610876111 [2,0,0,0,0,0|1,1,0]=4 106 B11R1.25 CCC(=O)OCC1=CC=CO1 MCULE-9103529082 [2,0,0,0,0,0|0,0,0]=2 107 B11R1.25 CCC(=O)SCC1=CC=CO1 MCULE-3385976920 [2,0,0,0,0,0|0,1,0]=3 108 B11R1.25 CCC(=S)OCC1=CC=CO1 MCULE-1045130761 [2,0,0,0,0,0|0,1,0]=3 109 B11R1.25 NCC(=O)NCC1=CC=CO1 MCULE-9302287426 [2,0,0,0,0,0|2,0,0]=4 110 B11R1.25 NCC(=O)NCC1=CC=CO1 MCULE-9829892705 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.25 O=C(CBr)NCC1=CC=CO1 MCULE-1808192006 [2,0,0,0,0,0|2,0,0]=4 112 B11R1.25 O=C(CCl)NCC1=CC=CO1 MCULE-5793211356 [2,0,0,0,0,0|2,0,0]=4 113 B13R1.119 CCCCCCCCC1=CC=CO1 MCULE-8515332267 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.119 CCCCCCNCC1=CC=CO1 MCULE-6338966069 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.119 CCNCCCNCC1=CC=CO1 MCULE-6693132593 [1,1,0,0,0,0|1,0,1]=4 116 B13R1.119 CCOCCCNCC1=CC=CO1 MCULE-2865480551 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.404 CNCC(O)COCC1=CC=CO1 MCULE-3149650152 [1,1,0,0,0,0|1,0,1]=4 118 B13R1.33 CCOC(=O)C[C@@H](N)C1=CC=CO1 MCULE-2355872677 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.33 CCOC(=O)C[C@@H](N)C1=CC=CO1 MCULE-5682048488 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.33 CCOC(=O)C[C@H](N)C1=CC=CO1 MCULE-4878809312 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.33 CCOC(=O)C[C@H](N)C1=CC=CO1 MCULE-5234779874 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.66 CCOC(=O)C(=O)CC1=CC=CO1 MCULE-6992304389 [1,1,0,0,0,0|2,0,0]=4 123 B13R1.554 CCC(Br)C(=O)NCC1=CC=CO1 MCULE-5890597908 [1,1,0,0,0,0|1,0,0]=3 124 B13R1.554 CCC(Br)C(=O)NCC1=CC=CS1 MCULE-9033638797 [1,1,0,0,0,0|1,1,0]=4 125 B13R1.554 CCC(C)C(=O)NCC1=CC=CS1 MCULE-3648658508 [1,1,0,0,0,0|1,1,0]=4 126 B13R1.554 CCC(N)C(=O)NCC1=CC=CS1 MCULE-6195449328 [1,1,0,0,0,0|1,1,0]=4 127 B13R1.554 CCC(N)C(=O)NCC1=CC=CS1 MCULE-9763637532 [1,1,0,0,0,0|1,1,0]=4 128 B13R1.593 CC(=O)CC(=O)NCC1=CC=CO1 MCULE-5607218116 [1,1,0,0,0,0|1,0,1]=4 129 B13R1.593 CC(C)NC(=O)NCC1=CC=CO1 MCULE-4403085529 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.344 CC(C)CNC(=O)CC1=CC=CS1 MCULE-5870181905 [0,1,0,0,1,0|1,1,0]=4 131 B13R1.545 CCC(C)NC(=O)CC1=CC=CS1 MCULE-6674863607 [0,1,0,0,1,0|1,1,0]=4 132 B15R1.78 C=CCCCC(=O)OCC1=CC=CC=C1 MCULE-4498265421 [0,1,0,0,0,1|1,0,1]=4 133 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 MCULE-4392468393 [0,1,0,0,0,1|1,0,0]=3 134 B15R1.78 CCCCCC(=O)OCC1=CC=CN=C1 MCULE-4237926916 [0,1,0,0,0,1|1,0,0]=3 135 B15R1.78 CCCCCC(=O)OCC1=CC=NC=C1 MCULE-5725852693 [0,1,0,0,0,1|1,0,0]=3 136 B15R1.78 CCCCNC(=O)CCC1=CC=CC=C1 MCULE-1998676091 [0,1,0,0,0,1|2,0,0]=4 137 B15R1.78 CCCCNC(=O)NCC1=CC=CC=N1 MCULE-3737404582 [0,1,0,0,0,1|2,0,0]=4 138 B15R1.78 CCCCNC(=O)NCC1=CN=CC=C1 MCULE-1665835266 [0,1,0,0,0,1|2,0,0]=4 139 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 MCULE-1046690627 [0,1,0,0,0,1|1,0,0]=3 140 B15R1.78 CNCCNC(=O)OCC1=CC=CC=C1 MCULE-2256655706 [0,1,0,0,0,1|2,0,0]=4 141 B15R1.78 CNCCNC(=O)OCC1=CC=CC=C1 MCULE-7820439045 [0,1,0,0,0,1|2,0,0]=4 142 B15R1.78 NCCCCC(=O)OCC1=CC=CC=C1 MCULE-4775531605 [0,1,0,0,0,1|1,0,0]=3 143 B15R1.78 NCCCCC(=O)OCC1=CC=CC=C1 MCULE-5444764805 [0,1,0,0,0,1|1,0,0]=3 144 B15R1.78 NCCCCC(=O)OCC1=CC=CC=C1 MCULE-9493691828 [0,1,0,0,0,1|1,0,0]=3 145 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 MCULE-3759132887 [0,1,0,0,0,1|2,0,0]=4 146 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 MCULE-9668763917 [0,1,0,0,0,1|2,0,0]=4 147 B15R1.78 O=C(CCCCBr)OCC1=CC=CC=C1 MCULE-4730795090 [0,1,0,0,0,1|1,0,0]=3 148 B15R1.78 O=C(CCCCO)NCC1=CC=CC=C1 MCULE-9423754691 [0,1,0,0,0,1|2,0,0]=4 149 B15R1.78 O=C(CCCCO)OCC1=CC=CC=C1 MCULE-2086831743 [0,1,0,0,0,1|1,0,0]=3 150 B15R1.78 O=C(NCCCBr)OCC1=CC=CC=C1 MCULE-2809494389 [0,1,0,0,0,1|2,0,0]=4 151 B15R1.78 O=C(NCCCCl)OCC1=CC=CC=C1 MCULE-4624740637 [0,1,0,0,0,1|2,0,0]=4 152 B15R1.78 O=C(NCCCO)OCC1=CC=CC=C1 MCULE-1907531173 [0,1,0,0,0,1|2,0,0]=4 153 B15R1.115 CCCCC(=O)NC(C)C1=CC=CC=C1 MCULE-4711009211 [0,1,0,0,0,1|2,0,0]=4 154 B15R1.139 CCCCC(=O)NCC1=CC=C(C=C1)C MCULE-6072339956 [0,1,0,0,0,1|2,0,0]=4 155 B15R1.139 CCCCC(=O)NCC1=CC=C(C=C1)Cl MCULE-6722265473 [0,1,0,0,0,1|2,0,0]=4 156 B15R1.139 CCCCC(=O)NCC1=CC=C(C=C1)F MCULE-4417349639 [0,1,0,0,0,1|2,0,0]=4 157 B15R1.741 CCC(=O)CC(=O)OCC1=CC=CC=C1 MCULE-3720537567 [0,1,0,0,0,1|1,0,1]=4 158 B15R1.741 CCC(O)CC(=O)OCC1=CC=CC=C1 MCULE-4007581868 [0,1,0,0,0,1|1,0,0]=3 159 B15R1.826 CCCC(C)C(=O)NCC1=CC=CC=C1 MCULE-6700809778 [0,1,0,0,0,1|2,0,0]=4 160 B15R1.826 CCCC(C)C(=O)NCC1=CC=CC=N1 MCULE-3427611958 [0,1,0,0,0,1|2,0,0]=4 161 B15R1.826 CCCC(C)C(=O)NCC1=CC=NC=C1 MCULE-9362603780 [0,1,0,0,0,1|2,0,0]=4 162 B15R1.826 CCCC(C)C(=O)NCC1=CN=CC=C1 MCULE-4130978209 [0,1,0,0,0,1|2,0,0]=4 163 B15R1.826 CCCC(N)C(=O)OCC1=CC=CC=C1 MCULE-5418798956 [0,1,0,0,0,1|1,0,0]=3 164 B15R1.826 CCCC(N)C(=O)OCC1=CC=CC=C1 MCULE-9603273873 [0,1,0,0,0,1|1,0,0]=3 165 B15R1.826 CCC[C@@H](N)C(=O)OCC1=CC=CC=C1 MCULE-1505308681 [0,1,0,0,0,1|1,0,0]=3 166 B15R1.826 CCC[C@@H](N)C(=O)OCC1=CC=CC=C1 MCULE-5079729553 [0,1,0,0,0,1|1,0,0]=3 167 B15R1.826 CCC[C@@H](N)C(=O)OCC1=CC=CC=C1 MCULE-7851074683 [0,1,0,0,0,1|1,0,0]=3 168 B15R1.826 CCC[C@@H](N)C(=O)OCC1=CC=CC=C1 MCULE-9721066089 [0,1,0,0,0,1|1,0,0]=3 169 B15R1.826 N[C@@H](CCO)C(=O)OCC1=CC=CC=C1 MCULE-7311699890 [0,1,0,0,0,1|2,0,0]=4 170 B15R1.826 N[C@@H](CCO)C(=O)OCC1=CC=CC=C1 MCULE-9192479003 [0,1,0,0,0,1|2,0,0]=4 171 B15R1.826 O=C(OCC1=CC=CC=C1)C(Br)CCBr MCULE-6664804028 [0,1,0,0,0,1|2,0,0]=4 172 B15R1.1208 CCCCC(=O)NCC1=C(C=CC=C1)Cl MCULE-3951266080 [0,1,0,0,0,1|2,0,0]=4 173 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 MCULE-7813767994 [0,1,0,0,0,1|1,0,1]=4 174 B15R1.5919 CC(N)CNC(=O)OCC1=CC=CC=C1 MCULE-7329655289 [0,1,0,0,0,1|2,0,0]=4 175 B15R1.5919 CC(N)CNC(=O)OCC1=CC=CC=C1 MCULE-9326022492 [0,1,0,0,0,1|2,0,0]=4 176 B15R1.5919 C[C@@H](N)CNC(=O)OCC1=CC=CC=C1 MCULE-4877774743 [0,1,0,0,0,1|2,0,0]=4 177 B15R1.5919 C[C@@H](N)CNC(=O)OCC1=CC=CC=C1 MCULE-5868702072 [0,1,0,0,0,1|2,0,0]=4 178 B15R1.5919 C[C@@H](O)CNC(=O)OCC1=CC=CC=C1 MCULE-2648888170 [0,1,0,0,0,1|2,0,0]=4 179 B15R1.5919 C[C@H](N)CNC(=O)OCC1=CC=CC=C1 MCULE-7773443565 [0,1,0,0,0,1|2,0,0]=4 180 B15R1.5919 C[C@H](N)CNC(=O)OCC1=CC=CC=C1 MCULE-8117857328 [0,1,0,0,0,1|2,0,0]=4 181 B15R1.156 CCCCC(=O)NN=CC1=CC=C(O1)C MCULE-7703917764 [0,1,0,0,0,1|1,0,1]=4 182 B15R1.1237 CCOCC(=O)NC(C)CC1=CC=CO1 MCULE-1378139596 [0,1,0,0,0,1|2,0,0]=4 183 B15R1.1376 CCCCCC(=O)NN=CC1=CC=CO1 MCULE-9429799698 [0,1,0,0,0,1|1,0,1]=4 184 B15R1.503 CC(C)CCNC(=S)NCC1=CC=CO1 MCULE-8179602880 [0,2,0,0,0,0|1,1,0]=4 185 B15R1.503 O=C(O)CCCC(=O)NCC1=CC=CO1 MCULE-3083978032 [0,2,0,0,0,0|1,0,1]=4 186 B15R1.503 O=C(O)CCCC(=O)OCC1=CC=CO1 MCULE-7798977715 [0,2,0,0,0,0|0,0,1]=3 187 B15R1.579 COCCNCC(=O)NCC1=CC=CO1 MCULE-3438727185 [0,2,0,0,0,0|1,0,0]=3 188 B15R1.14834 CS(=O)(=O)CCC(=O)NCC1=CC=CO1 MCULE-4747622355 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.44 CCCCC(=O)OC1=CC=CC=C1 MCULE-8399208696 [0,0,1,1,0,0|1,0,1]=4 190 B13R1.674 CCCCC(=O)C1=C(C=CC=C1)O MCULE-2172141129 [0,0,1,1,0,0|1,0,1]=4 191 B13R2.183 C1=COC(=C1)CNC2CCCC2 MCULE-6538375854 [1,0,0,1,0,0|1,0,1]=4 192 B13R2.677 C1=COC(=C1)C2CCCCCN2 MCULE-1237057269 [1,0,0,1,0,0|1,0,1]=4 193 B13R2.677 C1=COC(=C1)C2CCCCCN2 MCULE-3903679857 [1,0,0,1,0,0|1,0,1]=4 194 B13R2.4666 CC1CC(=O)NC1C2=CC=CO2 MCULE-4915467746 [1,0,0,1,0,0|1,0,0]=3 195 B13R2.4666 C[C@H]1CC(=O)NC1C2=CC=CO2 MCULE-9569788278 [1,0,0,1,0,0|1,0,0]=3 196 B13R2.6970 O=C(/C=C/C1=CC=CO1)C2CC2 MCULE-6287018930 [1,0,0,1,0,0|1,0,1]=4 197 B13R2.6970 O=C(C=CC1=CC=CO1)C2CC2 MCULE-1948145812 [1,0,0,1,0,0|1,0,1]=4 198 B13R2.6970 O=C(NCC1=CC=CO1)C2CC2 MCULE-3114638111 [1,0,0,1,0,0|1,0,0]=3 199 B13R2.6970 O=C(NCC1=CC=CS1)C2CC2 MCULE-1757579284 [1,0,0,1,0,0|1,1,0]=4 200 B13R2.696 O=C(CC1=CC=CS1)NC2CC2 MCULE-3247655805 [0,0,0,1,1,0|1,1,0]=4 201 B15R2.38 O=C1CCCCC1CC2=CC=CC=C2 MCULE-4917479100 [0,0,0,1,0,1|2,0,0]=4 202 B15R2.38 O=C1CCCCN1CC2=CC=CC=C2 MCULE-8996569855 [0,0,0,1,0,1|2,0,0]=4 203 B15R2.505 CC1CN1C(=O)OCC2=CC=CC=C2 MCULE-3834544016 [0,0,0,1,0,1|2,0,0]=4 204 B15R2.505 C[C@@H]1CC1C(=O)OCC2=CC=CC=C2 MCULE-5553972406 [0,0,0,1,0,1|1,0,0]=3 205 B15R2.505 C[C@@H]1C[C@H]1C(=O)OCC2=CC=CC=C2 MCULE-8495574642 [0,0,0,1,0,1|1,0,0]=3 206 B15R2.505 C[C@@H]1C[C@H]1C(=O)OCC2=CC=CC=C2 MCULE-8912671748 [0,0,0,1,0,1|1,0,0]=3 207 B15R2.505 C[C@H]1CN1C(=O)OCC2=CC=CC=C2 MCULE-1946735882 [0,0,0,1,0,1|2,0,0]=4 208 B15R2.505 C[C@H]1CN1C(=O)OCC2=CC=CC=C2 MCULE-7732603226 [0,0,0,1,0,1|2,0,0]=4 209 B15R2.543 O=C1CCCCC(C1)C2=CC=CC=C2 MCULE-4064762376 [0,0,0,1,0,1|2,0,0]=4 210 B15R2.24490 O=C(CCC1=CC=CC=C1)C2CCC2 MCULE-3340904919 [0,0,0,1,0,1|2,0,0]=4 211 B15R2.24490 O=C(NCC1=CC=CC=C1)C2CCC2 MCULE-5769294902 [0,0,0,1,0,1|2,0,0]=4 212 B15R2.24490 O=C(NCC1=CC=NC=C1)C2CCC2 MCULE-1910645839 [0,0,0,1,0,1|2,0,0]=4 213 B15R2.24490 O=C(NCC1=CN=CC=C1)C2CCC2 MCULE-2495882303 [0,0,0,1,0,1|2,0,0]=4 214 B15R2.24490 O=C(NCC1=NC=CC=C1)C2CCC2 MCULE-7817260929 [0,0,0,1,0,1|2,0,0]=4 215 B15R2.24490 O=C(OCC1=CC=CC=C1)C2CNC2 MCULE-1041846549 [0,0,0,1,0,1|2,0,0]=4 216 B15R2.24490 O=C(OCC1=CC=CC=C1)C2CNC2 MCULE-8938448342 [0,0,0,1,0,1|2,0,0]=4 217 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 MCULE-8428763661 [0,0,0,1,0,1|1,0,0]=3 218 B15R2.24494 O=C(NC1CC1)OCC2=CC=CC=C2 MCULE-3399317577 [0,0,0,1,0,1|2,0,0]=4 219 B15R2.3989 O=C(CCC1=CC=CS1)N2CCCC2 MCULE-7395024234 [0,1,0,1,0,0|1,1,0]=4 220 B15R2.3989 O=C(NCC1=CC=CO1)C2CCCC2 MCULE-5288229617 [0,1,0,1,0,0|1,0,0]=3 221 B15R2.3989 O=C(NCC1=CC=CO1)C2CCCN2 MCULE-5318734073 [0,1,0,1,0,0|1,0,0]=3 222 B15R2.3989 O=C(NCC1=CC=CO1)C2CCCN2 MCULE-7525760256 [0,1,0,1,0,0|1,0,0]=3 223 B15R2.3989 O=C(NCC1=CC=CO1)C2CCOC2 MCULE-3355799492 [0,1,0,1,0,0|1,0,0]=3 224 B15R2.3989 O=C(NCC1=CC=CS1)C2CCCO2 MCULE-9198009614 [0,1,0,1,0,0|1,1,0]=4 225 B15R2.3989 O=C(NCC1=CC=CS1)N2CCCC2 MCULE-7467886107 [0,1,0,1,0,0|1,1,0]=4 226 B15R2.3989 S=C(NCC1=CC=CO1)N2CCCC2 MCULE-8274563883 [0,1,0,1,0,0|1,1,0]=4 227 B15R2.15371 O=C1CCCC(=O)N1CC2=CC=CO2 MCULE-1008974433 [0,1,0,1,0,0|1,0,1]=4 228 B15R2.4706 O=C1CC(CN1CC2=CC=CO2)CO MCULE-5345977787 [0,1,0,1,0,0|2,0,0]=4 229 B15R2.7349 CC1(CCC(=O)N1CC2=CC=CO2)O MCULE-8475221207 [0,1,0,1,0,0|1,0,0]=3 230 B11R1.30 CCCC(=O)CC1=CC=CO1 MCULE-8562007175 [1,0,0,0,1,0|0,0,0]=2 231 B11R1.30 CCNC(=O)CC1=CC=CS1 MCULE-4161969399 [1,0,0,0,1,0|1,1,0]=4 232 B11R1.30 CCOC(=O)CC1=CC=CN1 MCULE-3818000157 [1,0,0,0,1,0|2,0,0]=4 233 B11R1.30 CCOC(=O)CC1=CC=CO1 MCULE-3422077571 [1,0,0,0,1,0|1,0,0]=3 234 B11R1.30 CCOC(=O)CC1=CC=CS1 MCULE-9242956864 [1,0,0,0,1,0|1,1,0]=4 235 B11R1.29 C=CCCC(=O)C1=CC=CO1 MCULE-9212490660 [0,0,0,0,2,0|0,0,2]=4 236 B11R1.29 CCCCC(=O)C1=CC=CO1 MCULE-6559490317 [0,0,0,0,2,0|0,0,0]=2 237 B11R1.29 CCCCC(=O)C1=CC=CS1 MCULE-3866569865 [0,0,0,0,2,0|0,1,0]=3 238 B11R1.29 CCCCC(=O)C1=NC=CO1 MCULE-2901178781 [0,0,0,0,2,0|1,0,0]=3 239 B11R1.29 CCCC[C@@H](N)C1=CC=CO1 MCULE-3464176732 [0,0,0,0,2,0|1,0,1]=4 240 B11R1.29 CCCC[C@@H](N)C1=CC=CO1 MCULE-8006701126 [0,0,0,0,2,0|1,0,1]=4 241 B11R1.29 CCCC[C@H](N)C1=CC=CO1 MCULE-3288753603 [0,0,0,0,2,0|1,0,1]=4 242 B11R1.29 CCCC[C@H](N)C1=CC=CO1 MCULE-8412871525 [0,0,0,0,2,0|1,0,1]=4 243 B11R1.29 CCCNC(=O)C1=CC=CS1 MCULE-3026242041 [0,0,0,0,2,0|1,1,0]=4 244 B11R1.29 CCCOC(=O)C1=CC=CO1 MCULE-5109034309 [0,0,0,0,2,0|1,0,0]=3 245 B11R1.29 CCSCC(=O)C1=CC=CS1 MCULE-1926380568 [0,0,0,0,2,0|1,1,0]=4 246 B11R1.29 CNCCC(=O)C1=CC=CS1 MCULE-1451717892 [0,0,0,0,2,0|1,1,0]=4 247 B11R1.29 CNCCC(=O)C1=CC=CS1 MCULE-8760897527 [0,0,0,0,2,0|1,1,0]=4 248 B11R1.29 CSCCC(=O)C1=CC=CS1 MCULE-9070234346 [0,0,0,0,2,0|1,1,0]=4 249 B11R1.29 N#CCCC(=O)C1=CC=CO1 MCULE-5828595173 [0,0,0,0,2,0|1,0,1]=4 250 B11R1.29 NCCNC(=O)C1=CC=CO1 MCULE-5302023209 [0,0,0,0,2,0|2,0,0]=4 251 B11R1.29 NCCNC(=O)C1=CC=CO1 MCULE-8676109161 [0,0,0,0,2,0|2,0,0]=4 252 B11R1.29 O=C(CCCCl)C1=CC=CS1 MCULE-6366815085 [0,0,0,0,2,0|1,1,0]=4 253 B11R1.29 O=C(CCCCl)C1=NC=CO1 MCULE-9256874983 [0,0,0,0,2,0|2,0,0]=4 254 B11R1.285 CCCCC(=O)OC[C@H]1CO1 MCULE-8441193923 [0,0,0,0,2,0|0,0,2]=4 255 B15R1.157 CCCCC(=O)NCCC1=CC=CC=C1 MCULE-6109358250 [0,0,0,0,0,2|2,0,0]=4 256 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 MCULE-8532188993 [0,0,0,0,0,2|1,0,0]=3 257 B15R1.157 NCCCC(=O)NOCC1=CC=CC=C1 MCULE-6357655268 [0,0,0,0,0,2|2,0,0]=4