0 B17R2.2342 CC(NCC1CCNCC1)C2=NC=CN=C2 MCULE-1002716935 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.2342 CC(NCC1CCNCC1)C2=NC=CN=C2 MCULE-7170690262 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.2342 O=C(C=CN1CCOCC1)C2=CC=CN=C2 MCULE-4595446544 [0,0,0,0,0,0|2,0,1]=3 3 B17R2.2342 O=C(CCC1CCCCC1)C2=NC=CC=C2 MCULE-6001296303 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.2342 O=C(CCN1CCCCC1)C2=CC=CC=C2 MCULE-6631137305 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.2342 O=C(CCN1CCOCC1)C2=CC=CC=C2 MCULE-3063619813 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.2342 O=C(CCN1CCOCC1)C2=CC=CC=C2 MCULE-9573419465 [0,0,0,0,0,0|3,0,0]=3 7 B17R2.2342 O=C(NCC1CCCCC1)C2=CC=CC=C2 MCULE-4221922928 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.2342 O=C(NCC1CCCCC1)C2=CC=CN=C2 MCULE-2738187497 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.2342 O=C(NCC1CCCNC1)C2=CN=CC=N2 MCULE-7398342703 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.2342 O=C(NCC1CCCNC1)C2=NC=CN=C2 MCULE-4968240695 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.2342 O=C(NCC1CCNCC1)C2=CC=CC=N2 MCULE-4294289729 [0,0,0,0,0,0|3,0,0]=3 12 B17R2.2342 O=C(NCC1CCNCC1)C2=CN=CC=N2 MCULE-9535432077 [0,0,0,0,0,0|2,0,0]=2 13 B17R2.2342 O=C(NCC1CCNCC1)C2=NC=CN=C2 MCULE-7071015313 [0,0,0,0,0,0|2,0,0]=2 14 B17R2.2342 O=C(NCC1CCOCC1)C2=CN=CC=C2 MCULE-1412296414 [0,0,0,0,0,0|2,0,0]=2 15 B17R2.2342 O=C(NCC1CCOCC1)C2=NC=CC=C2 MCULE-5411366710 [0,0,0,0,0,0|2,0,0]=2 16 B17R2.2342 O=C(NCC1CCOCC1)C2=NC=CN=C2 MCULE-8621466386 [0,0,0,0,0,0|1,0,0]=1 17 B17R2.2342 O=C(NCN1CCCCC1)C2=CC=CC=C2 MCULE-1690353860 [0,0,0,0,0,0|3,0,0]=3 18 B17R2.2342 O=C(NCN1CCCCC1)C2=CC=CC=C2 MCULE-8130889656 [0,0,0,0,0,0|3,0,0]=3 19 B17R2.2342 O=C(NCN1CCCCC1)C2=CN=CC=C2 MCULE-6603777140 [0,0,0,0,0,0|2,0,0]=2 20 B17R2.2342 O=C(NCN1CCCCC1)C2=NC=CN=C2 MCULE-7333318242 [0,0,0,0,0,0|1,0,0]=1 21 B17R2.2342 O=C(NCN1CCOCC1)C2=CN=CC=C2 MCULE-3115434638 [0,0,0,0,0,0|1,0,0]=1 22 B17R2.2342 O=C(NCN1CCOCC1)C2=NC=CN=C2 MCULE-4774853940 [0,0,0,0,0,0|0,0,0]=0 23 B17R2.2342 O=C(NN=C1CCCCC1)C2=CN=CC=C2 MCULE-2550545823 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.2342 O=C(OCC1CCNCC1)C2=CN=CC=C2 MCULE-9102014554 [0,0,0,0,0,0|4,0,0]=4 25 B17R2.2342 O=C(OCC1CCNCC1)C2=CN=CC=C2 MCULE-9787133813 [0,0,0,0,0,0|4,0,0]=4 26 B16R2.2256 C1=CC(=CN=C1)CNCC2CCOCC2 MCULE-5981268152 [1,0,0,0,0,0|2,0,1]=4 27 B16R2.2256 C1=CC=C(C=C1)C=CCN2CCOCC2 MCULE-1671724642 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.2256 C1=CC=C(C=C1)C=CCN2CCOCC2 MCULE-5290143750 [1,0,0,0,0,0|3,0,0]=4 29 B18R2.253 CC1=CC=C(C=C1)C(=O)CCN2CCOCC2 MCULE-4150781858 [0,1,0,0,0,0|3,0,0]=4 30 B18R2.253 O=C(CCN1CCOCC1)C2=CC=C(C=C2)Cl MCULE-1032163611 [0,1,0,0,0,0|3,0,0]=4 31 B18R2.253 O=C(CCN1CCOCC1)C2=CC=C(C=C2)Cl MCULE-7567363973 [0,1,0,0,0,0|3,0,0]=4 32 B18R2.253 O=C(CCN1CCOCC1)C2=CC=C(C=C2)F MCULE-7915138744 [0,1,0,0,0,0|3,0,0]=4 33 B18R2.253 O=C(CCN1CCOCC1)C2=CC=C(C=C2)O MCULE-1812535863 [0,1,0,0,0,0|3,0,0]=4 34 B18R2.253 O=C(CCN1CCOCC1)C2=CC=C(C=C2)O MCULE-2273727149 [0,1,0,0,0,0|3,0,0]=4 35 B18R2.253 O=C(NCC1CCOCC1)C2=CC=C(C=C2)Br MCULE-9318927638 [0,1,0,0,0,0|3,0,0]=4 36 B18R2.253 O=C(NCC1CCOCC1)C2=CC=C(C=C2)F MCULE-1143562427 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.253 O=C(NCC1CCOCC1)C2=CN=C(C=C2)Cl MCULE-5519396174 [0,1,0,0,0,0|2,0,0]=3 38 B18R2.257 CC1CCN(CC1)CNC(=O)C2=CC=CC=C2 MCULE-9548697827 [0,1,0,0,0,0|3,0,0]=4 39 B18R2.3634 CC(CN(C)C1=NC=CN=C1)N2CCOCC2 MCULE-1169495190 [0,1,0,0,0,0|3,0,0]=4 40 B18R2.3634 N=C(NC(=O)C1=CC=CC=C1)N2CCOCC2 MCULE-2678047146 [0,1,0,0,0,0|2,0,1]=4 41 B18R2.3634 O=C(NC(=O)N1CCOCC1)C2=CC=CC=C2 MCULE-9041565109 [0,1,0,0,0,0|2,0,1]=4 42 B18R2.3634 O=C(NC(=S)N1CCCCC1)C2=CN=CC=C2 MCULE-8389761759 [0,1,0,0,0,0|2,0,1]=4 43 B18R2.3634 O=C(NC(=S)N1CCOCC1)C2=CC=CC=C2 MCULE-5164986430 [0,1,0,0,0,0|2,0,1]=4 44 B18R2.3634 O=C(NC(=S)N1CCOCC1)C2=CN=CC=C2 MCULE-7274985795 [0,1,0,0,0,0|1,0,1]=3 45 B18R2.3634 O=C(NC(=S)N1CCSCC1)C2=CN=CC=C2 MCULE-6485443614 [0,1,0,0,0,0|1,1,1]=4 46 B18R2.4001 NC1=CC=CC=C1C(=O)NCN2CCOCC2 MCULE-5307277380 [0,1,0,0,0,0|2,0,0]=3 47 B18R2.4001 O=C(NCC1CCNCC1)C2=C(N=CC=C2)Cl MCULE-1208688226 [0,1,0,0,0,0|3,0,0]=4 48 B18R2.4001 O=C(NCC1CCNCC1)C2=C(N=CC=C2)Cl MCULE-5030364361 [0,1,0,0,0,0|3,0,0]=4 49 B18R2.4001 O=C(NCC1CCOCC1)C2=C(C=CC=C2)Br MCULE-4628882671 [0,1,0,0,0,0|3,0,0]=4 50 B18R2.4001 O=C(NCC1CCOCC1)C2=C(N=CC=C2)Cl MCULE-1376083293 [0,1,0,0,0,0|2,0,0]=3 51 B18R2.4001 O=C(NCN1CCOCC1)C2=CC=CC=C2Cl MCULE-4417246571 [0,1,0,0,0,0|2,0,0]=3 52 B18R2.6463 CC1=CC(=CC=C1)C(=O)NCC2CCOCC2 MCULE-3654358794 [0,1,0,0,0,0|3,0,0]=4 53 B18R2.6463 CC1=CN=CC(=N1)C(=O)NCC2CCOCC2 MCULE-4874303162 [0,1,0,0,0,0|1,0,0]=2 54 B18R2.6463 O=C(CCN1CCOCC1)C2=CC(=CC=C2)O MCULE-4479726407 [0,1,0,0,0,0|3,0,0]=4 55 B18R2.6463 O=C(CCN1CCOCC1)C2=CC(=CC=C2)O MCULE-8302575236 [0,1,0,0,0,0|3,0,0]=4 56 B18R2.6463 O=C(NCC1CCOCC1)C2=CC=CC(=C2)Br MCULE-3177314616 [0,1,0,0,0,0|3,0,0]=4 57 B18R2.6467 CC1CCCN(C1)CNC(=O)C2=CC=CC=C2 MCULE-8214870678 [0,1,0,0,0,0|3,0,0]=4 58 B18R2.7204 CC(CN1CCOCC1)C(=O)C2=CC=CC=C2 MCULE-3168236363 [0,1,0,0,0,0|3,0,0]=4 59 B18R2.7204 CC(CN1CCOCC1)C(=O)C2=CC=CC=C2 MCULE-5383464194 [0,1,0,0,0,0|3,0,0]=4 60 B18R2.566542 CC1(CCOCC1)CNC(=O)C2=NC=CC=C2 MCULE-9145081072 [0,1,0,0,0,0|2,0,0]=3 61 B18R2.566542 CC1(CCOCC1)CNC(=O)C2=NC=CN=C2 MCULE-5737891310 [0,1,0,0,0,0|1,0,0]=2 62 B18R3.11551 O=C1OC(C2=CC=CC=C12)N3CCOCC3 MCULE-4649456440 [0,0,0,1,0,0|3,0,0]=4 63 B16R2.88 O=C(CC1CCCCC1)C2=NC=CC=C2 MCULE-9157861927 [0,0,0,0,1,0|3,0,0]=4 64 B16R2.88 O=C(CC1CCOCC1)C2=CC=CC=C2 MCULE-1453115690 [0,0,0,0,1,0|3,0,0]=4 65 B16R2.88 O=C(CN1CCCCC1)C2=CC=CC=C2 MCULE-4035998148 [0,0,0,0,1,0|3,0,0]=4 66 B16R2.88 O=C(CN1CCCCC1)C2=CC=CC=C2 MCULE-6553998791 [0,0,0,0,1,0|3,0,0]=4 67 B16R2.88 O=C(CN1CCNCC1)C2=CC=CC=C2 MCULE-3239885730 [0,0,0,0,1,0|3,0,0]=4 68 B16R2.88 O=C(CN1CCNCC1)C2=CC=CC=C2 MCULE-9971244828 [0,0,0,0,1,0|3,0,0]=4 69 B16R2.88 O=C(CN1CCOCC1)C2=CC=CC=C2 MCULE-1959817027 [0,0,0,0,1,0|2,0,0]=3 70 B16R2.88 O=C(CN1CCOCC1)C2=CC=CC=C2 MCULE-5553582513 [0,0,0,0,1,0|2,0,0]=3 71 B16R2.88 O=C(CN1CCOCC1)C2=CC=CC=C2 MCULE-6672614839 [0,0,0,0,1,0|2,0,0]=3 72 B16R2.88 O=C(NC1CCCCC1)C2=CC=CN=C2 MCULE-9539924389 [0,0,0,0,1,0|3,0,0]=4 73 B16R2.88 O=C(NC1CCCNC1)C2=CN=CC=N2 MCULE-6150336135 [0,0,0,0,1,0|3,0,0]=4 74 B16R2.88 O=C(NC1CCCNC1)C2=NC=CN=C2 MCULE-9381699118 [0,0,0,0,1,0|3,0,0]=4 75 B16R2.88 O=C(NC1CCNCC1)C2=CN=CC=C2 MCULE-2821248711 [0,0,0,0,1,0|3,0,0]=4 76 B16R2.88 O=C(NC1CCNCC1)C2=CN=CC=C2 MCULE-7474463849 [0,0,0,0,1,0|3,0,0]=4 77 B16R2.88 O=C(NC1CCNCC1)C2=CN=CC=C2 MCULE-9037750933 [0,0,0,0,1,0|3,0,0]=4 78 B16R2.88 O=C(NC1CCNCC1)C2=CN=CC=N2 MCULE-3800482211 [0,0,0,0,1,0|2,0,0]=3 79 B16R2.88 O=C(NC1CCNCC1)C2=NC=CC=C2 MCULE-8405088468 [0,0,0,0,1,0|3,0,0]=4 80 B16R2.88 O=C(NC1CCNCC1)C2=NC=CC=C2 MCULE-9827093722 [0,0,0,0,1,0|3,0,0]=4 81 B16R2.88 O=C(NC1CCNCC1)C2=NC=CN=C2 MCULE-3786981291 [0,0,0,0,1,0|2,0,0]=3 82 B16R2.88 O=C(NC1CCOCC1)C2=CC=CC=N2 MCULE-3736029714 [0,0,0,0,1,0|2,0,0]=3 83 B16R2.88 O=C(NN1CCCCC1)C2=CC=CC=C2 MCULE-2335716115 [0,0,0,0,1,0|3,0,0]=4 84 B16R2.88 O=C(NN1CCCCC1)C2=CC=CN=C2 MCULE-1349382299 [0,0,0,0,1,0|2,0,0]=3 85 B16R2.88 O=C(NN1CCOCC1)C2=CC=CC=C2 MCULE-2686867474 [0,0,0,0,1,0|2,0,0]=3 86 B16R2.88 O=C(ON1CCOCC1)C2=CC=CC=C2 MCULE-4430508142 [0,0,0,0,1,0|3,0,0]=4 87 B16R2.2238 O=C(CCN1CCCCC1)C2=CC=CS2 MCULE-2543890400 [0,0,0,0,1,0|3,0,0]=4 88 B16R2.2238 O=C(CCN1CCOCC1)C2=CC=CO2 MCULE-7994335156 [0,0,0,0,1,0|2,0,0]=3 89 B16R2.2238 O=C(CCN1CCOCC1)C2=CC=CS2 MCULE-5242195420 [0,0,0,0,1,0|2,0,0]=3 90 B16R2.2238 O=C(NCC1CCCCC1)C2=CC=CO2 MCULE-7051773324 [0,0,0,0,1,0|3,0,0]=4 91 B16R2.2238 O=C(NCC1CCCCC1)C2=CC=CS2 MCULE-6230202836 [0,0,0,0,1,0|3,0,0]=4 92 B16R2.2238 O=C(NCC1CCNCC1)C2=CC=CS2 MCULE-7438228066 [0,0,0,0,1,0|3,0,0]=4 93 B16R2.2238 O=C(NCC1CCNCC1)C2=CSC=C2 MCULE-1387536257 [0,0,0,0,1,0|3,0,0]=4 94 B16R2.2238 O=C(NCC1CCNCC1)C2=CSC=C2 MCULE-9948469560 [0,0,0,0,1,0|3,0,0]=4 95 B16R2.2238 O=C(NCC1CCOCC1)C2=CC=CO2 MCULE-4936276201 [0,0,0,0,1,0|2,0,0]=3 96 B16R2.2238 O=C(NCC1CCOCC1)C2=CC=CS2 MCULE-2432920804 [0,0,0,0,1,0|2,0,0]=3 97 B16R2.2238 O=C(NCC1CCOCC1)C2=COC=C2 MCULE-7680878746 [0,0,0,0,1,0|2,0,0]=3 98 B16R2.2238 O=C(NCC1CCOCC1)C2=CSC=C2 MCULE-3034174646 [0,0,0,0,1,0|2,0,0]=3 99 B16R2.5767 O=C(CCN1CCCC1)C2=CC=CC=C2 MCULE-7997738648 [0,0,0,0,1,0|3,0,0]=4 100 B16R2.5767 O=C(NCC1CCCO1)C2=CC=CC=N2 MCULE-3622347426 [0,0,0,0,1,0|3,0,0]=4 101 B16R2.5767 O=C(NCC1CCCO1)C2=CN=CC=C2 MCULE-3854197607 [0,0,0,0,1,0|3,0,0]=4 102 B16R2.5767 O=C(NN=C1CCCC1)C2=CN=CC=C2 MCULE-8081427605 [0,0,0,0,1,0|3,0,0]=4 103 B18R2.2429 O=C(CC1=CC=CC=C1)NCC2CCOCC2 MCULE-9030657691 [0,0,0,0,0,1|3,0,0]=4 104 B18R2.2429 O=C(CCN1CCOCC1)NC2=CC=CC=C2 MCULE-5287699381 [0,0,0,0,0,1|3,0,0]=4 105 B18R2.2429 O=C(CCN1CCOCC1)NC2=CC=CC=C2 MCULE-5420622977 [0,0,0,0,0,1|3,0,0]=4 106 B18R2.2429 O=C(CCN1CCOCC1)NC2=CC=CC=C2 MCULE-6059147998 [0,0,0,0,0,1|3,0,0]=4 107 B18R2.2429 O=C(NCC1CCOCC1)NC2=CC=CC=C2 MCULE-2820328734 [0,0,0,0,0,1|3,0,0]=4 108 B18R2.2429 O=C(NCC1CCOCC1)OC2=CC=CC=C2 MCULE-6858189196 [0,0,0,0,0,1|3,0,0]=4 109 B18R2.2429 O=C(NCN1CCCCC1)NC2=CC=CC=C2 MCULE-3116260348 [0,0,0,0,0,1|3,0,0]=4 110 B18R2.2429 O=C(NCN1CCCCC1)NC2=CC=CC=C2 MCULE-5907208324 [0,0,0,0,0,1|3,0,0]=4 111 B18R2.7189 O=C(NCCC1=CCCCC1)C2=NC=CN=C2 MCULE-2355836609 [0,0,0,0,0,1|2,0,1]=4 112 B18R2.7189 O=C(NCCN1CCCCC1)C2=CC=CC=C2 MCULE-3771759403 [0,0,0,0,0,1|3,0,0]=4 113 B18R2.7189 O=C(NCCN1CCCCC1)C2=CC=CN=C2 MCULE-4032420192 [0,0,0,0,0,1|2,0,0]=3 114 B18R2.7189 O=C(NCCN1CCCCC1)C2=NC=CC=C2 MCULE-9751784760 [0,0,0,0,0,1|2,0,0]=3 115 B18R2.7189 O=C(NCCN1CCNCC1)C2=CC=CC=N2 MCULE-3726471205 [0,0,0,0,0,1|2,0,0]=3 116 B18R2.7189 O=C(NCCN1CCNCC1)C2=CC=CC=N2 MCULE-8837408433 [0,0,0,0,0,1|2,0,0]=3 117 B18R2.7189 O=C(NCCN1CCOCC1)C2=CC=CC=C2 MCULE-2981270377 [0,0,0,0,0,1|2,0,0]=3 118 B18R2.7189 O=C(NCCN1CCOCC1)C2=CC=CC=N2 MCULE-8439443029 [0,0,0,0,0,1|1,0,0]=2 119 B18R2.7189 O=C(NCCN1CCOCC1)C2=CC=CN=C2 MCULE-4770173883 [0,0,0,0,0,1|1,0,0]=2 120 B18R2.7189 O=C(NCCN1CCOCC1)C2=CC=NC=C2 MCULE-1973709292 [0,0,0,0,0,1|3,0,0]=4 121 B18R2.7189 O=C(NCCN1CCOCC1)C2=NC=CN=C2 MCULE-6019573329 [0,0,0,0,0,1|0,0,0]=1 122 B18R2.7189 O=C(OCCN1CCOCC1)C2=CC=CC=C2 MCULE-1569979824 [0,0,0,0,0,1|3,0,0]=4 123 B18R2.7189 O=C(OCCN1CCOCC1)C2=CC=CC=C2 MCULE-3889340744 [0,0,0,0,0,1|3,0,0]=4 124 B18R2.7189 O=C(OCCN1CCOCC1)C2=CN=CC=C2 MCULE-1365113581 [0,0,0,0,0,1|2,0,0]=3 125 B18R2.7189 O=C(OCC[NH+]1CCOCC1)C2=CN=CC=C2 MCULE-1172267678 [0,0,0,0,0,1|2,0,1]=4 126 B18R2.7189 [NH+]1(CCOCC1)CCNC(=O)C2=CC=CC=C2 MCULE-2853178373 [0,0,0,0,0,1|2,0,1]=4 127 B18R2.72819 O=C(NN=C1CCCCCC1)C2=NC=CN=C2 MCULE-1626061526 [0,0,0,0,0,1|3,0,0]=4 128 B15R1.138 CCOCCCNC(=O)C1=CC=CC=C1 MCULE-3877381694 [1,0,1,0,0,0|2,0,0]=4 129 B17R1.754 CCCCCCCCNC(=O)C1=NC=CN=C1 MCULE-9849960395 [0,1,1,0,0,0|2,0,0]=4 130 B17R1.9325 CSCCC(C)(O)CNC(=O)C1=NC=CN=C1 MCULE-2496397206 [0,1,1,0,0,0|1,1,0]=4 131 B17R2.192 CC1=CC=C(C=C1)C(=O)NN2CCOCC2 MCULE-3583874414 [0,1,0,0,1,0|2,0,0]=4 132 B17R2.192 NC1=CC=C(C=C1)C(=O)CN2CCOCC2 MCULE-2826103607 [0,1,0,0,1,0|2,0,0]=4 133 B17R2.192 O=C(CN1CCOCC1)C2=CC=C(C=C2)Br MCULE-8002573279 [0,1,0,0,1,0|2,0,0]=4 134 B17R2.192 O=C(CN1CCOCC1)C2=CC=C(C=C2)Cl MCULE-5112922530 [0,1,0,0,1,0|2,0,0]=4 135 B17R2.192 O=C(CN1CCOCC1)C2=CC=C(C=C2)O MCULE-1716759046 [0,1,0,0,1,0|2,0,0]=4 136 B17R2.192 O=C(CN1CCOCC1)C2=CC=C(C=C2)O MCULE-6520397377 [0,1,0,0,1,0|2,0,0]=4 137 B17R2.192 O=C(NC1CCOCC1)C2=NC=C(C=C2)Br MCULE-1040819857 [0,1,0,0,1,0|2,0,0]=4 138 B17R2.192 O=C(NN1CCOCC1)C2=CC=C(C=C2)Br MCULE-8234291609 [0,1,0,0,1,0|2,0,0]=4 139 B17R2.192 O=C(NN1CCOCC1)C2=CC=C(C=C2)Cl MCULE-2730028260 [0,1,0,0,1,0|2,0,0]=4 140 B17R2.192 O=C(NN1CCOCC1)C2=CC=C(C=C2)F MCULE-8035395667 [0,1,0,0,1,0|2,0,0]=4 141 B17R2.192 O=C1C=CC(=CO1)C(=O)NN2CCOCC2 MCULE-9797923484 [0,1,0,0,1,0|2,0,0]=4 142 B17R2.209 CN1CCC(CC1)NC(=O)C2=NC=CN=C2 MCULE-7571798345 [0,1,0,0,1,0|2,0,0]=4 143 B17R2.209 CN1CCN(CC1)NC(=O)C2=CC=CN=C2 MCULE-8152223359 [0,1,0,0,1,0|2,0,0]=4 144 B17R2.3417 CC1=C(C=CC=C1)C(=O)CN2CCOCC2 MCULE-3129500370 [0,1,0,0,1,0|2,0,0]=4 145 B17R2.3417 CC1=C(C=CC=C1)C(=O)NN2CCOCC2 MCULE-7609462833 [0,1,0,0,1,0|2,0,0]=4 146 B17R2.3417 NC1=CC=CC=C1C(=O)NN2CCOCC2 MCULE-6770944396 [0,1,0,0,1,0|2,0,0]=4 147 B17R2.3417 O=C(CN1CCOCC1)C2=CC=CC=C2Br MCULE-8219939506 [0,1,0,0,1,0|2,0,0]=4 148 B17R2.3417 O=C(NC1CCOCC1)C2=C(C=CC=N2)Br MCULE-5155942358 [0,1,0,0,1,0|2,0,0]=4 149 B17R2.3417 O=C(NN1CCOCC1)C2=C(C=CC=C2)Br MCULE-6411563362 [0,1,0,0,1,0|2,0,0]=4 150 B17R2.3417 O=C(NN1CCOCC1)C2=C(C=CC=C2)Cl MCULE-7680842444 [0,1,0,0,1,0|2,0,0]=4 151 B17R2.3417 O=C(NN1CCOCC1)C2=CC=CC=C2F MCULE-9937664146 [0,1,0,0,1,0|2,0,0]=4 152 B17R2.3426 O=C(N[C@@H]1CCOC[C@H]1O)C2=CC=CN=C2 MCULE-2406977118 [0,1,0,0,1,0|2,0,0]=4 153 B17R2.3426 O=C(N[C@@H]1CCOC[C@H]1O)C2=NC=CC=C2 MCULE-6098800004 [0,1,0,0,1,0|2,0,0]=4 154 B17R2.3426 O=C(N[C@@H]1CCOC[C@H]1O)C2=NC=CN=C2 MCULE-1906031691 [0,1,0,0,1,0|1,0,0]=3 155 B17R2.5273 CC1=CC(=CC=C1)C(=O)NN2CCOCC2 MCULE-5278820580 [0,1,0,0,1,0|2,0,0]=4 156 B17R2.5273 NC1=CC(=CC=C1)C(=O)CN2CCOCC2 MCULE-8545023664 [0,1,0,0,1,0|2,0,0]=4 157 B17R2.5273 O=C(NC1CCOCC1)C2=CC(=CN=C2)Br MCULE-5014011652 [0,1,0,0,1,0|2,0,0]=4 158 B17R2.5273 O=C(NC1CCOCC1)C2=CC(=CN=C2)F MCULE-9882839619 [0,1,0,0,1,0|2,0,0]=4 159 B17R2.5273 O=C(NN1CCOCC1)C2=CC(=CC=C2)Br MCULE-5234575435 [0,1,0,0,1,0|2,0,0]=4 160 B17R2.5273 O=C(NN1CCOCC1)C2=CC=CC(=C2)Cl MCULE-6022325556 [0,1,0,0,1,0|2,0,0]=4 161 B17R2.5273 O=C(NN1CCOCC1)C2=CC=CC(=C2)F MCULE-4423456512 [0,1,0,0,1,0|2,0,0]=4 162 B17R2.10205 CC(C(=O)C1=CC=CC=C1)N2CCOCC2 MCULE-1384979890 [0,1,0,0,1,0|2,0,0]=4 163 B17R2.10205 CC(C(=O)C1=CC=CC=C1)N2CCOCC2 MCULE-9889929139 [0,1,0,0,1,0|2,0,0]=4 164 B17R2.3231 CC1=CC=C(S1)C(=O)NCC2CCOCC2 MCULE-9133052483 [0,1,0,0,1,0|2,0,0]=4 165 B17R2.3231 O=C(NCC1CCOCC1)C2=CC=C(O2)Br MCULE-1558911425 [0,1,0,0,1,0|2,0,0]=4 166 B17R2.3231 O=C(NCC1CCOCC1)C2=CC=C(S2)Cl MCULE-7309475252 [0,1,0,0,1,0|2,0,0]=4 167 B17R2.3530 CC1=C(SC=C1)C(=O)NCC2CCOCC2 MCULE-1999107757 [0,1,0,0,1,0|2,0,0]=4 168 B17R2.3530 CC1=NSN=C1C(=O)NCC2CCOCC2 MCULE-8914059728 [0,1,0,0,1,0|2,0,0]=4 169 B17R2.3530 CN1C=CC=C1C(=O)NCC2CCOCC2 MCULE-5654605781 [0,1,0,0,1,0|1,0,1]=4 170 B17R2.5722 CN(CC1CCOCC1)C(=O)C2=CC=CS2 MCULE-5509319449 [0,1,0,0,1,0|2,0,0]=4 171 B17R2.5722 CN(CC1CCOCC1)C(=O)C2=CSC=C2 MCULE-1808213309 [0,1,0,0,1,0|2,0,0]=4 172 B17R2.18474 O=C(NC(=S)N1CCOCC1)C2=CC=CO2 MCULE-3198193312 [0,1,0,0,1,0|1,0,1]=4 173 B17R2.18474 O=C(NC(=S)N1CCOCC1)C2=CC=CS2 MCULE-5440774111 [0,1,0,0,1,0|1,0,1]=4 174 B17R2.295595 CC1(CCOCC1)CNC(=O)C2=CC=CS2 MCULE-8102160023 [0,1,0,0,1,0|2,0,0]=4 175 B17R2.295595 CC1(CCOCC1)CNC(=O)C2=COC=C2 MCULE-3129771837 [0,1,0,0,1,0|2,0,0]=4 176 B17R2.295595 CC1(CCOCC1)CNC(=O)C2=CSC=C2 MCULE-9139131531 [0,1,0,0,1,0|2,0,0]=4 177 B17R2.3283 O=C(NCC1CCCC1)C2=CC=C(N=C2)Br MCULE-3775403260 [0,1,0,0,1,0|2,0,0]=4 178 B17R2.3378 CC1=CN=CC(=N1)C(=O)NCC2CCCO2 MCULE-2809590620 [0,1,0,0,1,0|2,0,0]=4 179 B17R2.3378 O=C(NCC1CCCC1)C2=CC(=CN=C2)Br MCULE-3806667259 [0,1,0,0,1,0|2,0,0]=4 180 B17R2.3378 O=C(NCC1CCOC1)C2=CN=CC(=C2)F MCULE-8140784213 [0,1,0,0,1,0|2,0,0]=4 181 B19R2.4201 CC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-2154987715 [0,1,0,0,0,1|2,0,0]=4 182 B19R2.4201 CC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-3733984385 [0,1,0,0,0,1|2,0,0]=4 183 B19R2.4201 CC1=CC=C(C=N1)C(=O)NCCN2CCCCC2 MCULE-5137126284 [0,1,0,0,0,1|2,0,0]=4 184 B19R2.4201 NC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-1027150216 [0,1,0,0,0,1|2,0,0]=4 185 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)Br MCULE-5822467260 [0,1,0,0,0,1|2,0,0]=4 186 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)Br MCULE-7952259883 [0,1,0,0,0,1|2,0,0]=4 187 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)Cl MCULE-5300106938 [0,1,0,0,0,1|2,0,0]=4 188 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)F MCULE-5779196702 [0,1,0,0,0,1|2,0,0]=4 189 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)F MCULE-7887848470 [0,1,0,0,0,1|2,0,0]=4 190 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)I MCULE-8443035302 [0,1,0,0,0,1|2,0,0]=4 191 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(C=C2)O MCULE-3682562600 [0,1,0,0,0,1|2,0,0]=4 192 B19R2.4201 O=C(NCCN1CCOCC1)C2=CC=C(N=C2)Cl MCULE-8413919053 [0,1,0,0,0,1|1,0,0]=3 193 B19R2.4201 O=C1C=CC(=CO1)C(=O)NCCN2CCOCC2 MCULE-5585539010 [0,1,0,0,0,1|2,0,0]=4 194 B19R2.4394 CC1=CC(=CC=C1)C(=O)NCCN2CCOCC2 MCULE-3263999590 [0,1,0,0,0,1|2,0,0]=4 195 B19R2.4394 CC1=CC(=CC=C1)C(=O)NCCN2CCOCC2 MCULE-3398669140 [0,1,0,0,0,1|2,0,0]=4 196 B19R2.4394 NC1=CC=CC(=C1)C(=O)NCCN2CCOCC2 MCULE-4802155492 [0,1,0,0,0,1|2,0,0]=4 197 B19R2.4394 O=C(NCCN1CCCCC1)C2=CC=CC(=N2)Br MCULE-6724589166 [0,1,0,0,0,1|2,0,0]=4 198 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CC=C2)Br MCULE-3506848604 [0,1,0,0,0,1|2,0,0]=4 199 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CC=C2)Cl MCULE-5318644744 [0,1,0,0,0,1|2,0,0]=4 200 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CC=C2)Cl MCULE-6655545663 [0,1,0,0,0,1|2,0,0]=4 201 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CC=C2)F MCULE-4842040199 [0,1,0,0,0,1|2,0,0]=4 202 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CC=C2)F MCULE-6351429209 [0,1,0,0,0,1|2,0,0]=4 203 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CC=C2)I MCULE-9846707312 [0,1,0,0,0,1|2,0,0]=4 204 B19R2.4394 O=C(NCCN1CCOCC1)C2=CC(=CN=C2)Br MCULE-6056091903 [0,1,0,0,0,1|1,0,0]=3 205 B19R2.4394 O=C(NCCN1CCOCC1)C2=CN=CC(=C2)Br MCULE-3242633523 [0,1,0,0,0,1|1,0,0]=3 206 B19R2.5666 CC1=C(C=CC=C1)C(=O)NCCN2CCOCC2 MCULE-7048569597 [0,1,0,0,0,1|2,0,0]=4 207 B19R2.5666 NC1=CC=CC=C1C(=O)NCCN2CCOCC2 MCULE-8779598716 [0,1,0,0,0,1|2,0,0]=4 208 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(C=CC=C2)Br MCULE-5703896744 [0,1,0,0,0,1|2,0,0]=4 209 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(C=CC=C2)Br MCULE-9184303560 [0,1,0,0,0,1|2,0,0]=4 210 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(C=CC=C2)Cl MCULE-2656664364 [0,1,0,0,0,1|2,0,0]=4 211 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(C=CC=C2)F MCULE-5178887893 [0,1,0,0,0,1|2,0,0]=4 212 B19R2.5666 O=C(NCCN1CCOCC1)C2=C(C=CC=C2)F MCULE-8827392435 [0,1,0,0,0,1|2,0,0]=4 213 B19R2.5666 O=C(NCCN1CCOCC1)C2=NC=CC=C2Cl MCULE-3507750693 [0,1,0,0,0,1|1,0,0]=3 214 B19R2.8898 O=C(NCC(=O)N1CCOCC1)C2=CC=CC=C2 MCULE-9768164163 [0,1,0,0,0,1|2,0,0]=4 215 B19R2.60 NNC1=CC=C(C=N1)C(=O)NCC2CCOCC2 MCULE-6967306275 [0,2,0,0,0,0|2,0,0]=4 216 B19R2.4483 O=C(NC[C@@]1(CCNC[C@H]1O)O)C2=CN=CC=N2 MCULE-8065875613 [0,2,0,0,0,0|2,0,0]=4 217 B19R2.4480 CN(CC1CCOCC1)C(=O)C2=C(N=CC=C2)Cl MCULE-4658904737 [0,2,0,0,0,0|2,0,0]=4 218 B19R2.7669 CN(CC1CCOCC1)C(=O)C2=CC(=CN=C2)F MCULE-2501992931 [0,2,0,0,0,0|2,0,0]=4 219 B19R2.9974 CCN(CC1CCOCC1)C(=O)C2=NC=CN=C2 MCULE-9232132124 [0,2,0,0,0,0|1,0,0]=3 220 B19R2.1033392 CN(CC1(CCOCC1)C)C(=O)C2=CN=CC=C2 MCULE-8004673406 [0,2,0,0,0,0|2,0,0]=4 221 B19R2.1033392 CN(CC1(CCOCC1)C)C(=O)C2=NC=CC=C2 MCULE-9938653073 [0,2,0,0,0,0|2,0,0]=4 222 B19R2.1033392 CN(CC1(CCOCC1)C)C(=O)C2=NC=CN=C2 MCULE-1875778968 [0,2,0,0,0,0|1,0,0]=3 223 B17R2.45538 O=C(NC1CCCCCC1)C2=NC=CN=C2 MCULE-9261366656 [0,0,1,1,0,0|2,0,0]=4 224 B17R2.45538 O=C(NC1CCCNCC1)C2=NC=CN=C2 MCULE-2079733950 [0,0,1,1,0,0|2,0,0]=4 225 B17R2.45538 O=C(NC1CCCNCC1)C2=NC=CN=C2 MCULE-6934298768 [0,0,1,1,0,0|2,0,0]=4 226 B17R3.128648 O=C(C1=NC=CN=C1)N2CC3CC2CO3 MCULE-3192128378 [0,0,0,1,1,0|2,0,0]=4 227 B17R3.128648 O=C(C1=NC=CN=C1)N2CC3CC2CS3 MCULE-6462613948 [0,0,0,1,1,0|2,0,0]=4 228 B19R3.288 O=C1OC2=C(N1CN3CCOCC3)C=CC=C2 MCULE-3255217773 [0,0,0,1,0,1|2,0,0]=4 229 B19R3.288 O=C1SC2=C(N1CN3CCOCC3)C=CC=C2 MCULE-2336911128 [0,0,0,1,0,1|2,0,0]=4 230 B15R2.2195 C1=CC=C(N=C1)CCN2CCOCC2 MCULE-9926238828 [1,0,0,0,1,0|1,0,1]=4 231 B15R2.2195 C1=CN=C(C=C1)C=NN2CCOCC2 MCULE-2506332904 [1,0,0,0,1,0|1,0,1]=4 232 B15R2.2195 C1=CN=C(C=N1)CCN2CCNCC2 MCULE-8973692986 [1,0,0,0,1,0|1,0,1]=4 233 B15R2.2195 C1=CN=C(C=N1)NCC2CCNCC2 MCULE-7275464541 [1,0,0,0,1,0|2,0,0]=4 234 B15R2.2195 C1=CN=C(C=N1)NCC2CCNCC2 MCULE-8674069710 [1,0,0,0,1,0|2,0,0]=4 235 B15R2.2195 C1=CN=C(C=N1)OCC2CCOCC2 MCULE-5433697909 [1,0,0,0,1,0|2,0,0]=4 236 B15R2.2195 C1=CN=CC(=C1)C=NN2CCOCC2 MCULE-3618176672 [1,0,0,0,1,0|1,0,1]=4 237 B15R2.2196 C1=COC(=C1)C=CCN2CCOCC2 MCULE-6220699951 [1,0,0,0,1,0|2,0,0]=4 238 B15R2.64 O=C(CC1CCOCC1)C2=NC=CN2 MCULE-2538309329 [0,0,0,0,2,0|1,0,1]=4 239 B15R2.64 O=C(CN1CCNCC1)C2=CC=CO2 MCULE-4656245554 [0,0,0,0,2,0|2,0,0]=4 240 B15R2.64 O=C(CN1CCNCC1)C2=CC=CO2 MCULE-7581616459 [0,0,0,0,2,0|2,0,0]=4 241 B15R2.64 O=C(CN1CCNCC1)C2=CC=CS2 MCULE-3806641958 [0,0,0,0,2,0|2,0,0]=4 242 B15R2.64 O=C(CN1CCNCC1)C2=CC=CS2 MCULE-5750422720 [0,0,0,0,2,0|2,0,0]=4 243 B15R2.64 O=C(CN1CCNCC1)C2=CC=CS2 MCULE-8157881880 [0,0,0,0,2,0|2,0,0]=4 244 B15R2.64 O=C(NC1CCOCC1)C2=CSC=C2 MCULE-1818243346 [0,0,0,0,2,0|2,0,0]=4 245 B15R2.64 O=C(NN1CCCCC1)C2=CC=CS2 MCULE-9472876698 [0,0,0,0,2,0|2,0,0]=4 246 B15R2.64 O=C(NN1CCOCC1)C2=CC=CO2 MCULE-9185743030 [0,0,0,0,2,0|1,0,0]=3 247 B15R2.64 O=C(NN1CCOCC1)C2=CC=CS2 MCULE-7729309581 [0,0,0,0,2,0|1,0,0]=3 248 B15R2.64 [NH+]1(CCOCC1)NC(=O)C2=CC=CS2 MCULE-9456205099 [0,0,0,0,2,0|1,0,1]=4 249 B15R2.1259 O=C(CN1CCCC1)C2=CC=CC=C2 MCULE-3667744384 [0,0,0,0,2,0|2,0,0]=4 250 B15R2.1259 O=C(CN1CCCC1)C2=CC=CC=C2 MCULE-9379235552 [0,0,0,0,2,0|2,0,0]=4 251 B15R2.1259 O=C(NC1CCCC1)C2=CC=CN=C2 MCULE-2027644651 [0,0,0,0,2,0|2,0,0]=4 252 B15R2.2226 O=C(C1=CC=CC=C1)N2CCOCC2 MCULE-7238181328 [0,0,0,0,2,0|2,0,0]=4 253 B15R2.2226 O=C(C1=CC=CC=N1)N2CCCCC2 MCULE-6116471394 [0,0,0,0,2,0|2,0,0]=4 254 B15R2.2226 O=C(C1=CC=CN=C1)N2CCCCC2 MCULE-6325127684 [0,0,0,0,2,0|2,0,0]=4 255 B15R2.2226 O=C(C1=CC=CN=C1)N2CCNCC2 MCULE-5159545520 [0,0,0,0,2,0|2,0,0]=4 256 B15R2.2226 O=C(C1=CC=CN=C1)N2CCNCC2 MCULE-9812139713 [0,0,0,0,2,0|2,0,0]=4 257 B15R2.2226 O=C(C1=CN=CC=C1)C2CCOCC2 MCULE-5338603804 [0,0,0,0,2,0|2,0,0]=4 258 B15R2.2226 O=C(C1=CN=CC=C1)N2CCNCC2 MCULE-3139287308 [0,0,0,0,2,0|2,0,0]=4 259 B15R2.2226 O=C(C1=CN=CC=C1)N2CCNCC2 MCULE-7204285692 [0,0,0,0,2,0|2,0,0]=4 260 B15R2.2226 O=C(C1=CN=CC=N1)N2CC=CCC2 MCULE-3658199610 [0,0,0,0,2,0|1,0,1]=4 261 B15R2.2226 O=C(C1=NC=CC=C1)N2CCNCC2 MCULE-1808040041 [0,0,0,0,2,0|2,0,0]=4 262 B15R2.2226 O=C(C1=NC=CC=C1)N2CCNCC2 MCULE-3613201032 [0,0,0,0,2,0|2,0,0]=4 263 B15R2.2226 O=C(C1=NC=CC=C1)N2CCNCC2 MCULE-4025901946 [0,0,0,0,2,0|2,0,0]=4 264 B15R2.2226 O=C(C1=NC=CC=C1)N2CCOCC2 MCULE-1122962786 [0,0,0,0,2,0|1,0,0]=3 265 B15R2.2226 O=C(C1=NC=CC=N1)N2CCOCC2 MCULE-3675506914 [0,0,0,0,2,0|2,0,0]=4 266 B15R2.2226 O=C(C1=NC=CN=C1)N2CCNCC2 MCULE-2646454036 [0,0,0,0,2,0|1,0,0]=3 267 B15R2.2226 O=C(C1=NC=CN=C1)N2CCNCC2 MCULE-9402302181 [0,0,0,0,2,0|1,0,0]=3 268 B15R2.2226 S=C(C1=CN=CC=C1)N2CCOCC2 MCULE-5451129013 [0,0,0,0,2,0|1,1,0]=4 269 B17R2.2382 C1=CN=CC(=C1)CNCCN2CCOCC2 MCULE-4339126329 [1,0,0,0,0,1|1,0,1]=4 270 B17R2.5714 O=C(NCCN1CCCCC1)C2=CC=CO2 MCULE-7871351178 [0,0,0,0,1,1|2,0,0]=4 271 B17R2.5714 O=C(NCCN1CCCCC1)C2=CC=CS2 MCULE-7426985338 [0,0,0,0,1,1|2,0,0]=4 272 B17R2.5714 O=C(NCCN1CCOCC1)C2=CC=CO2 MCULE-3158318207 [0,0,0,0,1,1|1,0,0]=3 273 B17R2.5714 O=C(NCCN1CCOCC1)C2=CC=CS2 MCULE-8162427257 [0,0,0,0,1,1|1,0,0]=3 274 B17R2.5714 O=C(NCCN1CCOCC1)C2=NNC=N2 MCULE-2504668471 [0,0,0,0,1,1|1,0,0]=3 275 B17R2.5714 O=C(NCCN1CCOCC1)C2=NNC=N2 MCULE-3817182605 [0,0,0,0,1,1|1,0,0]=3 276 B17R2.5714 O=C(OCCN1CCOCC1)C2=CC=CO2 MCULE-8189829983 [0,0,0,0,1,1|2,0,0]=4 277 B17R2.5714 O=C(OCCN1CCOCC1)C2=CC=CO2 MCULE-9347996025 [0,0,0,0,1,1|2,0,0]=4 278 B17R2.5714 O=C(OCCN1CCOCC1)C2=CC=CS2 MCULE-2325123665 [0,0,0,0,1,1|2,0,0]=4 279 B17R2.5714 O=C(OCCN1CCOCC1)C2=CC=CS2 MCULE-9209401783 [0,0,0,0,1,1|2,0,0]=4 280 B19R2.8900 O=C(CC1=CC=CC=C1)NCCN2CCOCC2 MCULE-3195139382 [0,0,0,0,0,2|2,0,0]=4 281 B19R2.8900 O=C(CC1=CC=CC=C1)NCCN2CCOCC2 MCULE-9305824252 [0,0,0,0,0,2|2,0,0]=4 282 B19R2.8900 O=C(NCCN1CCOCC1)NC2=CC=CC=C2 MCULE-9821391672 [0,0,0,0,0,2|2,0,0]=4 283 B19R2.8900 O=C(NCCN1CCOCC1)OC2=CC=CC=C2 MCULE-4311249154 [0,0,0,0,0,2|2,0,0]=4 284 B19R2.8900 O=C(NCCN1CCOCC1)OC2=CC=CC=C2 MCULE-5435888717 [0,0,0,0,0,2|2,0,0]=4 285 B19R2.8899 O=C(NCCCN1CCOCC1)C2=CC=CC=C2 MCULE-1528509993 [0,0,0,0,0,2|2,0,0]=4 286 B19R2.8899 O=C(NCCCN1CCOCC1)C2=CC=CC=C2 MCULE-9215952350 [0,0,0,0,0,2|2,0,0]=4 287 B19R2.8899 O=C(NCCCN1CCOCC1)C2=CC=CC=N2 MCULE-4132103705 [0,0,0,0,0,2|1,0,0]=3 288 B19R2.8899 O=C(NCCCN1CCOCC1)C2=CN=CC=C2 MCULE-6915559290 [0,0,0,0,0,2|1,0,0]=3 289 B19R2.8899 O=C(NCCCN1CCOCC1)C2=CN=CC=C2 MCULE-9890262002 [0,0,0,0,0,2|1,0,0]=3 290 B19R2.8899 O=C(NCCCN1CCOCC1)C2=NC=CC=C2 MCULE-2832335156 [0,0,0,0,0,2|1,0,0]=3 291 B19R2.8899 O=C(NCCCN1CCOCC1)C2=NC=CN=C2 MCULE-5780685449 [0,0,0,0,0,2|0,0,0]=2