0 B18R0.220 CCCCCCCCCCCCCC(=O)OC(C)C MCULE-9234973848 [0,0,0,0,0,0|0,0,0]=0 1 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)C MCULE-4548996828 [0,0,0,0,0,0|3,0,1]=4 2 B18R0.220 CCCCCCCCCCCCNC(=S)NN(C)C MCULE-4214516205 [0,0,0,0,0,0|3,1,0]=4 3 B18R0.220 CCCCCCCCCCCCOC(=O)CC(=O)C MCULE-8506863437 [0,0,0,0,0,0|3,0,1]=4 4 B17R0.43 CC(C)CCCCCCCCCCCCCCO MCULE-8255040422 [1,0,0,0,0,0|2,0,1]=4 5 B17R0.43 CCCCCCCCCCCCCCCC(C)O MCULE-4314680622 [1,0,0,0,0,0|2,0,1]=4 6 B17R0.43 CCCCCCCCCCCCCCCN(C)C MCULE-9254230166 [1,0,0,0,0,0|2,0,1]=4 7 B17R0.43 CCCCCCCCCCCCCCOC(=O)C MCULE-9791397433 [1,0,0,0,0,0|1,0,2]=4 8 B17R0.250 C=COC(=O)CCCCCCCCCCCCC MCULE-1838888228 [1,0,0,0,0,0|0,0,2]=3 9 B17R0.250 CCCCCCCCCCCCCC(=O)CCC MCULE-6440839574 [1,0,0,0,0,0|1,0,0]=2 10 B17R0.250 CCCCCCCCCCCCCC(=O)OCC MCULE-3516792445 [1,0,0,0,0,0|0,0,0]=1 11 B17R0.250 CCCCCCCCCCCCCC(=O)OCCl MCULE-7381476592 [1,0,0,0,0,0|1,0,0]=2 12 B17R0.250 CCCCCCCCCCCCNC(=O)CCC MCULE-6235043360 [1,0,0,0,0,0|2,0,0]=3 13 B19R0.3096 CCCCCCCCCCCCCC(=O)CC(=O)OC MCULE-7661392590 [0,1,0,0,0,0|2,0,1]=4 14 B19R0.3108 CC(C)(C)OC(=O)CCCCCCCCCCN=N#N MCULE-4364488990 [0,1,0,0,0,0|3,0,0]=4 15 B19R0.3108 CC(C)(C)OC(=O)NCCCCCCCCCCCBr MCULE-1472973990 [0,1,0,0,0,0|2,0,0]=3 16 B19R0.3108 CC(C)(C)OC(=O)NCCCCCCCCCCCN MCULE-9877388334 [0,1,0,0,0,0|2,0,0]=3 17 B19R0.3108 CC(C)(C)OC(=O)NCCCCCCCCCCCO MCULE-8633304003 [0,1,0,0,0,0|2,0,0]=3 18 B19R0.3108 CCCCCCCCCCCCOC(=O)C[N+](C)(C)C MCULE-1682531166 [0,1,0,0,0,0|3,0,0]=4 19 B19R0.3108 CCCCCCCCCCCCOC(=O)C[N+](C)(C)C MCULE-1765761974 [0,1,0,0,0,0|3,0,0]=4 20 B19R0.3108 CCCCCCCCCCCCOC(=O)C[N+](C)(C)C MCULE-3853917699 [0,1,0,0,0,0|3,0,0]=4 21 B19R0.3108 CCCCCCCCCCCCOC(=O)C[N+](C)(C)C MCULE-8927617860 [0,1,0,0,0,0|3,0,0]=4 22 B19R0.25647 CCCCCCCCCCCCOC(=O)C(C)N(C)C MCULE-3107580456 [0,1,0,0,0,0|3,0,0]=4 23 B19R0.25647 CCCCCCCCCCCCOC(=O)C(C)N(C)C MCULE-9786481954 [0,1,0,0,0,0|3,0,0]=4 24 B19R0.25647 CCCCCCCCCCCCOC(=O)[C@@H](N)C(C)C MCULE-9910778222 [0,1,0,0,0,0|2,0,0]=3 25 B19R0.25647 CCCCCCCCCCCCOC(=O)[C@H](C)N(C)C MCULE-2434963386 [0,1,0,0,0,0|3,0,0]=4 26 B19R0.25647 [C@H](C)(C(=O)OCCCCCCCCCCCC)N(C)C MCULE-5242541258 [0,1,0,0,0,0|3,0,0]=4 27 B19R1.8946 CCCCCCCCCCCN1CC(OC(C1)C)C MCULE-8189259835 [0,0,0,1,0,0|2,0,1]=4 28 B19R1.53162 CCCCCCCCCCCCC1CC(=O)OC1=O MCULE-5859342402 [0,0,0,1,0,0|1,0,1]=3 29 B19R1.68512 CCCCCCCCCCCCS/C(=N/C1CC1)/N MCULE-6027921145 [0,0,0,1,0,0|3,0,0]=4 30 B19R1.68512 CCCCCCCCCCCCS/C(=N/C1CC1)/N MCULE-8897632896 [0,0,0,1,0,0|3,0,0]=4 31 B19R1.281406 CC(=CC(=O)NC1CCCCCCCCCCC1)C MCULE-5858632192 [0,0,0,1,0,0|2,0,1]=4 32 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC MCULE-5195398178 [0,0,0,0,1,0|1,0,2]=4 33 B17R0.14245 C=C(C)C(=O)OCCCCCCCCCCCC MCULE-1325716455 [0,0,0,0,1,0|1,0,2]=4 34 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C MCULE-4750784105 [0,0,0,0,1,0|1,0,0]=2 35 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)O MCULE-6419399022 [0,0,0,0,1,0|2,0,0]=3 36 B19R0.157 CCCCCCCCCCCCCC(=O)OCC(C)C MCULE-6130754022 [0,0,0,0,0,1|0,0,0]=1 37 B19R0.157 CCCCCCCCCCCCCC(=O)OCC(O)O MCULE-1615228165 [0,0,0,0,0,1|2,0,0]=3 38 B16R0.274 CCCCCCCCCCCCCCC(C)O MCULE-8477286739 [2,0,0,0,0,0|1,0,1]=4 39 B16R0.274 CCCCCCCCCCCCCCN(C)C MCULE-1169700979 [2,0,0,0,0,0|1,0,1]=4 40 B16R0.274 CCCCCCCCCCCCCOC(=O)C MCULE-3462383419 [2,0,0,0,0,0|1,0,1]=4 41 B16R0.274 CCCCCCCCCCOCCNC(C)C MCULE-8134052821 [2,0,0,0,0,0|2,0,0]=4 42 B16R0.274 CCCCCCCCCCOCCNC(C)C MCULE-9530565271 [2,0,0,0,0,0|2,0,0]=4 43 B16R0.303 CCCCCCCCCCCCCCCCC MCULE-3718944215 [2,0,0,0,0,0|1,0,1]=4 44 B16R0.61 CCCCCCCCCCCCC(=O)CCC MCULE-4895448580 [2,0,0,0,0,0|1,0,0]=3 45 B16R0.61 CCCCCCCCCCCCC(=O)OCC MCULE-8945154638 [2,0,0,0,0,0|0,0,0]=2 46 B16R0.61 CCCCCCCCCCCCC(=O)OCCl MCULE-1444257922 [2,0,0,0,0,0|1,0,0]=3 47 B16R0.61 CCOC(=O)CCCCCCCCCCCBr MCULE-8542798971 [2,0,0,0,0,0|1,0,0]=3 48 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-2649272831 [2,0,0,0,0,0|1,0,0]=3 49 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-6362464632 [2,0,0,0,0,0|1,0,0]=3 50 B16R0.61 CCSC(=O)CCCCCCCCCCCO MCULE-6080213440 [2,0,0,0,0,0|1,1,0]=4 51 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C MCULE-9116592768 [2,0,0,0,0,0|0,0,0]=2 52 B16R0.302 CCCCCCCCCCNC(=O)OC(C)C MCULE-2107163626 [2,0,0,0,0,0|1,0,0]=3 53 B16R0.221 CCCCC=CCCCCCCCC(=O)OC MCULE-6534469638 [2,0,0,0,0,0|0,0,2]=4 54 B16R0.221 CCCCCCCCCCCCCC(=O)CC MCULE-9117802063 [2,0,0,0,0,0|0,0,0]=2 55 B16R0.221 CCCCCCCCCCCCCC(=O)NN MCULE-3612607907 [2,0,0,0,0,0|2,0,0]=4 56 B16R0.221 CCCCCCCCCCCCCC(=O)OC MCULE-3729213959 [2,0,0,0,0,0|0,0,0]=2 57 B16R0.221 CCCCCCCCCCCCCC(O)CC MCULE-3941630395 [2,0,0,0,0,0|0,0,2]=4 58 B16R0.221 CCCCCCCCCCCCNC(=O)CC MCULE-4783922420 [2,0,0,0,0,0|1,0,0]=3 59 B16R0.221 CCCCCCCCCCCCNC(=O)CCl MCULE-4529382467 [2,0,0,0,0,0|2,0,0]=4 60 B16R0.221 CCCCCCCCCCCCOC(=O)CBr MCULE-2483808028 [2,0,0,0,0,0|2,0,0]=4 61 B16R0.221 CCCCCCCCCCCCOC(=O)CC MCULE-8247406436 [2,0,0,0,0,0|1,0,0]=3 62 B16R0.221 CCCCCCCCCCCCOC(=O)CCl MCULE-6379931852 [2,0,0,0,0,0|2,0,0]=4 63 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-5189541815 [2,0,0,0,0,0|2,0,0]=4 64 B16R0.221 CCCCCCCCCCCCOC(=O)CN MCULE-8545291130 [2,0,0,0,0,0|2,0,0]=4 65 B16R0.221 CCCCCCCCCCCCOC(=O)CS MCULE-8899893008 [2,0,0,0,0,0|2,0,0]=4 66 B16R0.221 COC(=O)CCCCCCCCCCCCBr MCULE-1167427070 [2,0,0,0,0,0|1,0,0]=3 67 B18R0.176 CC(C)CCCCCCCCCCCCCCCO MCULE-6059147214 [1,1,0,0,0,0|1,0,1]=4 68 B18R0.188 CC(C)(C)OC(=O)CCCCCCCCCCCBr MCULE-4702626171 [1,1,0,0,0,0|1,0,0]=3 69 B18R0.188 CC(C)(C)OC(=O)NCCCCCCCCCCBr MCULE-4111956993 [1,1,0,0,0,0|2,0,0]=4 70 B18R0.188 CC(C)(C)OC(=O)NCCCCCCCCCCN MCULE-7725897414 [1,1,0,0,0,0|2,0,0]=4 71 B18R0.188 CC(C)(C)OC(=O)NCCCCCCCCCCO MCULE-1904265296 [1,1,0,0,0,0|2,0,0]=4 72 B18R0.13761 CCCCCCCCCCCCP(=O)(F)OC(C)C MCULE-4838542092 [1,1,0,0,0,0|1,0,0]=3 73 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC MCULE-9982852556 [1,1,0,0,0,0|0,0,1]=3 74 B18R0.45 CCCCCCCCCCC[C@@H](O)CC(=O)OCC MCULE-8992736755 [1,1,0,0,0,0|0,0,0]=2 75 B18R0.45 CCCCCCCCCCC[C@H](O)CC(=O)OCC MCULE-1714130310 [1,1,0,0,0,0|0,0,0]=2 76 B18R0.45 CCCCCCCCCCNC(=O)CC(=O)OCC MCULE-5422341556 [1,1,0,0,0,0|1,0,1]=4 77 B18R0.100 CCCCCCCCS(=O)CCCCC(=O)OCC MCULE-5438164263 [1,1,0,0,0,0|1,0,0]=3 78 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC MCULE-3321531994 [1,1,0,0,0,0|0,0,0]=2 79 B18R0.110 CCCCCCCCCCCCCCC(=O)OCCl MCULE-7954802898 [1,1,0,0,0,0|1,0,0]=3 80 B18R0.110 CCCCCCCCCCCCNCC(=O)OCC MCULE-5933972937 [1,1,0,0,0,0|0,0,0]=2 81 B18R0.177 CCCCCCCCCCCCC(Br)C(=O)OCC MCULE-6643457293 [1,1,0,0,0,0|0,0,0]=2 82 B18R0.177 CCCCCCCCCCCCC(C)C(=O)OCC MCULE-7958017074 [1,1,0,0,0,0|0,0,0]=2 83 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCO MCULE-9095389474 [1,1,0,0,0,0|1,0,0]=3 84 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCC MCULE-2136464867 [1,1,0,0,0,0|0,0,0]=2 85 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCCl MCULE-7601866704 [1,1,0,0,0,0|0,0,0]=2 86 B18R0.3155 CCCCCCCCCCCCCC(=O)OCCO MCULE-8058925190 [1,1,0,0,0,0|0,0,0]=2 87 B20R0.16580 CCCCCCCCCCCCNC(=O)C(N)CC(C)C MCULE-5767129551 [0,1,0,0,0,1|2,0,0]=4 88 B20R0.16580 CCCCCCCCCCCCNC(=O)C(N)CC(C)C MCULE-5991511457 [0,1,0,0,0,1|2,0,0]=4 89 B20R0.16580 CCCCCCCCCCCCOC(=O)C(N)CC(C)C MCULE-3086416950 [0,1,0,0,0,1|2,0,0]=4 90 B20R0.16580 CCCCCCCCCCCCOC(=O)C(N)CC(C)C MCULE-9927334587 [0,1,0,0,0,1|2,0,0]=4 91 B20R0.16580 CCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C MCULE-1936009851 [0,1,0,0,0,1|2,0,0]=4 92 B20R0.16580 CCCCCCCCCCCCOC(=O)[C@@H](N)CC(C)C MCULE-5093632058 [0,1,0,0,0,1|2,0,0]=4 93 B20R0.22320 CCCCCCCCCCCCCC(=O)OCC(O)CO MCULE-3694237093 [0,1,0,0,0,1|1,0,0]=3 94 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C MCULE-2673572287 [0,2,0,0,0,0|1,0,0]=3 95 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C MCULE-5640904803 [0,2,0,0,0,0|0,0,0]=2 96 B20R0.2931 CCCCCCCCCCCCCCOC(=O)C[NH+](C)C MCULE-1152240755 [0,2,0,0,0,0|2,0,0]=4 97 B20R0.2931 CCCCCCCCCCCCCCOC(=O)C[NH+](C)C MCULE-9338532162 [0,2,0,0,0,0|2,0,0]=4 98 B20R0.32515 CC(C)(C)OC(=O)CCCCCCCCCCCCCBr MCULE-6138612283 [0,2,0,0,0,0|0,0,0]=2 99 B20R0.32515 CC(C)(C)OC(=O)CCCCCOCCCCCCCN MCULE-5199160750 [0,2,0,0,0,0|1,0,0]=3 100 B20R0.32515 CC(C)(C)OC(=O)NCCCCCCCCCCCCBr MCULE-4814735458 [0,2,0,0,0,0|1,0,0]=3 101 B20R0.32515 CC(C)(C)OC(=O)NCCCCCCCCCCCCN MCULE-6373305937 [0,2,0,0,0,0|1,0,0]=3 102 B20R0.32515 CC(C)(C)OC(=O)NCCCCCCCCCCCCO MCULE-4136189065 [0,2,0,0,0,0|1,0,0]=3 103 B20R0.20087 CC(C)(C)OC(=O)CCCCCCCCCCCC(=O)O MCULE-1355165524 [0,2,0,0,0,0|1,0,1]=4 104 B20R0.20087 CC(C)(C)OC(=O)CCCCCCCCCCCN(=O)=O MCULE-5451074819 [0,2,0,0,0,0|2,0,0]=4 105 B20R0.28261 CC(C)(C)OC(=O)C(N)CCCCCCCCCCCN MCULE-9936833484 [0,2,0,0,0,0|1,0,0]=3 106 B18R1.848 CCOC(=O)CCCCCCOC1CCCCO1 MCULE-2659682684 [1,0,0,1,0,0|2,0,0]=4 107 B18R1.21916 CCCCCCCCCCCCN1CCCC1=O MCULE-7658272558 [1,0,0,1,0,0|2,0,0]=4 108 B18R1.43424 CCNC(=O)OC1CCCCCCCCCCC1 MCULE-6845540633 [1,0,0,1,0,0|2,0,0]=4 109 B18R1.49730 CCCCCCCCCCCCNC(=O)C1CC1 MCULE-3182169889 [1,0,0,1,0,0|2,0,0]=4 110 B18R1.1843 CC1CCCCCCCCCCCCCOC1=O MCULE-8629194941 [0,0,0,1,1,0|1,0,0]=3 111 B18R1.1843 O=C1CCCCCCCCCCCCCCC1O MCULE-2328305728 [0,0,0,1,1,0|1,0,0]=3 112 B18R1.52728 CC(C)C(=O)NC1CCCCCCCCCCC1 MCULE-6540233620 [0,0,0,1,1,0|1,0,0]=3 113 B18R1.52728 CN(C)C(=O)NC1CCCCCCCCCCC1 MCULE-6798260155 [0,0,0,1,1,0|2,0,0]=4 114 B20R1.4499 CCCCCCCCCCCCN1CC(OC(C1)C)C MCULE-1210307270 [0,1,0,1,0,0|1,0,1]=4 115 B20R1.429982 CC(C)(C)OC(=O)NCCCCCCCNC1CCC1 MCULE-4511675260 [0,1,0,1,0,0|2,0,0]=4 116 B20R2.8013944 CC1CC1C(=O)NC2CCCCCCCCCCC2 MCULE-9427315121 [0,0,0,2,0,0|2,0,0]=4 117 B20R0.138 CCCCCCCCCCCCCC(=O)OCCN(C)C MCULE-1642864941 [0,0,0,0,0,2|1,0,0]=3