0 B15R0.366 C=CCCCCCCCCCC(=O)OCC MCULE-7999165590 [0,0,0,0,0,0|1,0,2]=3 1 B15R0.366 C=COC(=O)CCCCCCCCCCC MCULE-4112696875 [0,0,0,0,0,0|1,0,2]=3 2 B15R0.366 CCCCCCCCC/C=C/C(=O)OCC MCULE-9164260564 [0,0,0,0,0,0|1,0,2]=3 3 B15R0.366 CCCCCCCCC=NNC(=O)OCC MCULE-3507647310 [0,0,0,0,0,0|3,0,1]=4 4 B15R0.366 CCCCCCCCCC=CC(=O)OCC MCULE-3827280556 [0,0,0,0,0,0|1,0,2]=3 5 B15R0.366 CCCCCCCCCCCC(=O)NCC MCULE-4785540132 [0,0,0,0,0,0|0,0,0]=0 6 B15R0.366 CCCCCCCCCCCC(=O)OCC MCULE-6150658986 [0,0,0,0,0,0|1,0,0]=1 7 B15R0.366 CCCCCCCCCCCC(=O)OCCl MCULE-7622384571 [0,0,0,0,0,0|2,0,0]=2 8 B15R0.366 CCCCCCCCCCOC(=O)CC#N MCULE-3934095862 [0,0,0,0,0,0|3,0,1]=4 9 B15R0.366 CCCCCCCCNCCC(=O)OCC MCULE-7089762363 [0,0,0,0,0,0|2,0,0]=2 10 B15R0.366 CCCCCCCCSCCC(=O)OCC MCULE-2446708021 [0,0,0,0,0,0|2,0,0]=2 11 B15R0.366 CCNC(=O)CCCCCCCCC#CBr MCULE-4045494167 [0,0,0,0,0,0|1,0,2]=3 12 B15R0.366 CCOC(=O)CCCCCCCCCCBr MCULE-2219675372 [0,0,0,0,0,0|2,0,0]=2 13 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [1,0,0,0,0,0|1,0,2]=4 14 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [1,0,0,0,0,0|1,0,2]=4 15 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [1,0,0,0,0,0|1,0,2]=4 16 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [1,0,0,0,0,0|2,0,0]=3 17 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [1,0,0,0,0,0|2,0,0]=3 18 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [1,0,0,0,0,0|0,0,0]=1 19 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [1,0,0,0,0,0|0,0,0]=1 20 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [1,0,0,0,0,0|1,0,0]=2 21 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [1,0,0,0,0,0|1,0,0]=2 22 B14R0.337 CCCCCCCCCCCC(Cl)CCl MCULE-9094665356 [1,0,0,0,0,0|2,0,1]=4 23 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [1,0,0,0,0,0|2,0,1]=4 24 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [1,0,0,0,0,0|2,0,1]=4 25 B14R0.337 CCCCCCCCCCCN(C)CC MCULE-3111741726 [1,0,0,0,0,0|2,0,0]=3 26 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [1,0,0,0,0,0|2,0,0]=3 27 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [1,0,0,0,0,0|2,0,0]=3 28 B14R0.337 CCCCCCCCCCNC(=S)NN MCULE-3954684394 [1,0,0,0,0,0|2,1,0]=4 29 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [1,0,0,0,0,0|1,0,0]=2 30 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [1,0,0,0,0,0|2,0,0]=3 31 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [1,0,0,0,0,0|2,0,0]=3 32 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [1,0,0,0,0,0|2,0,0]=3 33 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [1,0,0,0,0,0|2,0,0]=3 34 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [1,0,0,0,0,0|2,0,0]=3 35 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [1,0,0,0,0,0|2,0,0]=3 36 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [1,0,0,0,0,0|2,0,0]=3 37 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [1,0,0,0,0,0|2,0,0]=3 38 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [1,0,0,0,0,0|2,0,1]=4 39 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [1,0,0,0,0,0|2,0,0]=3 40 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [1,0,0,0,0,0|2,0,0]=3 41 B14R0.392 CCC#CCCCCCCCCCCO MCULE-8364905746 [1,0,0,0,0,0|2,0,1]=4 42 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [1,0,0,0,0,0|2,0,1]=4 43 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [1,0,0,0,0,0|2,0,0]=3 44 B14R0.392 CCCCCCCCCCCCCCBr MCULE-9737491714 [1,0,0,0,0,0|2,0,1]=4 45 B14R0.392 CCCCCCCCCCCCCCC MCULE-1292711626 [1,0,0,0,0,0|1,0,1]=3 46 B14R0.392 CCCCCCCCCCCCCCCl MCULE-4738230795 [1,0,0,0,0,0|2,0,1]=4 47 B14R0.392 CCCCCCCCCCCCCCF MCULE-9767518415 [1,0,0,0,0,0|2,0,1]=4 48 B14R0.392 CCCCCCCCCCCCCCN MCULE-8592595177 [1,0,0,0,0,0|2,0,1]=4 49 B14R0.392 CCCCCCCCCCCCCCO MCULE-8719320111 [1,0,0,0,0,0|2,0,1]=4 50 B14R0.392 CCCCCCCCCCCCCCS MCULE-5679876747 [1,0,0,0,0,0|2,0,1]=4 51 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-4777104073 [1,0,0,0,0,0|2,0,1]=4 52 B14R0.392 CCCCCCCCCCCCC[NH2+]C MCULE-6540647325 [1,0,0,0,0,0|2,0,1]=4 53 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [1,0,0,0,0,0|1,0,2]=4 54 B14R0.392 CCCCCCCCCCCCNCC MCULE-6669418249 [1,0,0,0,0,0|0,0,1]=2 55 B14R0.392 CCCCCCCCCCCCSCC MCULE-3847929623 [1,0,0,0,0,0|1,0,1]=3 56 B14R0.392 CCCCCCCCCCCNCCC MCULE-2740020624 [1,0,0,0,0,0|2,0,0]=3 57 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [1,0,0,0,0,0|3,0,0]=4 58 B14R0.392 CCCCCCCCCNCCCCC MCULE-6073560034 [1,0,0,0,0,0|2,0,1]=4 59 B14R0.392 CCCCCCCCC[NH2+]CCCCC MCULE-8442579178 [1,0,0,0,0,0|2,0,1]=4 60 B14R0.392 CCCCCCCCNCCCCCC MCULE-1148069991 [1,0,0,0,0,0|2,0,1]=4 61 B14R0.392 CCCCCCCNCCCCCCC MCULE-8281252980 [1,0,0,0,0,0|2,0,1]=4 62 B14R0.392 CCCCCCCOCCCCCCC MCULE-7411737646 [1,0,0,0,0,0|2,0,1]=4 63 B14R0.392 CCCCCCCSCCCCCCC MCULE-8546717040 [1,0,0,0,0,0|2,0,1]=4 64 B14R0.392 [NH2+](CC)CCCCCCCCCCCC MCULE-2677553062 [1,0,0,0,0,0|0,0,2]=3 65 B14R0.392 [NH2+](CCC)CCCCCCCCCCC MCULE-1566613456 [1,0,0,0,0,0|2,0,0]=3 66 B14R0.393 C=CCCCCCCCCC(=O)OCC MCULE-8561484163 [1,0,0,0,0,0|1,0,2]=4 67 B14R0.393 CCCCCCCCC#CC(=O)OCC MCULE-1422889109 [1,0,0,0,0,0|1,0,2]=4 68 B14R0.393 CCCCCCCCCCC(=O)OCC MCULE-7345568612 [1,0,0,0,0,0|1,0,0]=2 69 B14R0.393 CCCCCCCCCCS(=O)CCCl MCULE-1369991528 [1,0,0,0,0,0|3,0,0]=4 70 B14R0.393 CCCCCCCCCCS(=O)CCO MCULE-6360797475 [1,0,0,0,0,0|3,0,0]=4 71 B14R0.393 CCCCCCCCCNC(=O)CCS MCULE-5450463677 [1,0,0,0,0,0|3,0,0]=4 72 B14R0.393 CCCCCCCNCCC(=O)NCC MCULE-8513247916 [1,0,0,0,0,0|1,0,0]=2 73 B14R0.393 CCCCCCCNCCC(=O)OCC MCULE-6058376626 [1,0,0,0,0,0|2,0,0]=3 74 B14R0.393 CCOC(=O)CCCCCCCCC=O MCULE-1701011376 [1,0,0,0,0,0|2,0,1]=4 75 B14R0.393 CCOC(=O)CCCCCCCCCBr MCULE-9108239972 [1,0,0,0,0,0|2,0,0]=3 76 B14R0.393 CCOC(=O)CCCCCCCCCO MCULE-7625421399 [1,0,0,0,0,0|2,0,0]=3 77 B14R0.393 CCOCCCCCCCC(=O)OCC MCULE-2934612920 [1,0,0,0,0,0|2,0,0]=3 78 B16R0.61 CCCCCCCCCCCCC(=O)CCC MCULE-4895448580 [0,1,0,0,0,0|1,0,0]=2 79 B16R0.61 CCCCCCCCCCCCC(=O)OCC MCULE-8945154638 [0,1,0,0,0,0|1,0,0]=2 80 B16R0.61 CCCCCCCCCCCCC(=O)OCCl MCULE-1444257922 [0,1,0,0,0,0|2,0,0]=3 81 B16R0.61 CCCCCCCCCCCCC(O)CCC MCULE-2703285953 [0,1,0,0,0,0|1,0,2]=4 82 B16R0.61 CCOC(=O)CCCCCCCCCCCBr MCULE-8542798971 [0,1,0,0,0,0|1,0,0]=2 83 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-2649272831 [0,1,0,0,0,0|1,0,0]=2 84 B16R0.61 CCOC(=O)CCCCCCCCCCCN MCULE-6362464632 [0,1,0,0,0,0|1,0,0]=2 85 B16R0.61 CCSC(=O)CCCCCCCCCCCO MCULE-6080213440 [0,1,0,0,0,0|1,0,0]=2 86 B16R0.70 CCCCCCCCCCCC(=O)C(O)CC MCULE-9580362062 [0,1,0,0,0,0|1,0,0]=2 87 B16R0.70 CCCCCCCCCCOC(=O)C(N)CC MCULE-7635886305 [0,1,0,0,0,0|2,0,0]=3 88 B16R0.70 CCCCCCCCCCOC(=O)C(N)CC MCULE-9630474412 [0,1,0,0,0,0|2,0,0]=3 89 B16R0.97 CCOC(=O)CCCCCCCC(=O)OCC MCULE-9630769109 [0,1,0,0,0,0|2,0,1]=4 90 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC MCULE-4010265533 [0,1,0,0,0,0|1,0,1]=3 91 B16R0.154 CCCCCCCCCC(O)CC(=O)OCC MCULE-1873066901 [0,1,0,0,0,0|1,0,0]=2 92 B16R0.195 CCCCC(=O)CCCCCCC(=O)OCC MCULE-5361164726 [0,1,0,0,0,0|1,0,1]=3 93 B16R0.299 CCCCCC(=O)CCCCCC(=O)OCC MCULE-4180654502 [0,1,0,0,0,0|1,0,1]=3 94 B16R0.302 CCCCCCCCCCCC(=O)NC(=O)N MCULE-6859082771 [0,1,0,0,0,0|1,0,1]=3 95 B16R0.302 CCCCCCCCCCCC(=O)NC(=S)N MCULE-6657997748 [0,1,0,0,0,0|1,0,1]=3 96 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C MCULE-9116592768 [0,1,0,0,0,0|1,0,0]=2 97 B16R0.302 CCCCCCCCCCNC(=O)OC(C)C MCULE-2107163626 [0,1,0,0,0,0|2,0,0]=3 98 B16R0.302 CCCCCCCCCCNC(=S)NN(C)C MCULE-2476632182 [0,1,0,0,0,0|2,1,0]=4 99 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C MCULE-4216674513 [0,1,0,0,0,0|2,0,1]=4 100 B16R0.661 CCCCCCCCCCCC(=O)NCCO MCULE-3793069187 [0,1,0,0,0,0|0,0,0]=1 101 B16R0.661 CCCCCCCCCCCC(=O)OCCC MCULE-9916183085 [0,1,0,0,0,0|1,0,0]=2 102 B16R0.661 CCCCCCCCCCCC(=O)OCCCl MCULE-2443572008 [0,1,0,0,0,0|1,0,0]=2 103 B16R0.661 CCCCCCCCCCCC(O)CCCC MCULE-2652447421 [0,1,0,0,0,0|1,0,2]=4 104 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-7858117314 [0,1,0,0,0,0|3,0,0]=4 105 B16R0.661 CCCCCCCCCCC[NH+](C)CCCO MCULE-9070141209 [0,1,0,0,0,0|3,0,0]=4 106 B16R0.661 CCCCCCCCCCNC(=S)NCCO MCULE-1059443879 [0,1,0,0,0,0|1,1,0]=3 107 B16R0.1183 CCCCCCCCCCC(C)C(=O)OCC MCULE-6747298403 [0,1,0,0,0,0|1,0,0]=2 108 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 MCULE-8938614477 [0,0,0,1,0,0|2,0,0]=3 109 B16R1.890 CCOC(=O)CCNCC1CCCN1CC MCULE-5580861420 [0,0,0,1,0,0|3,0,0]=4 110 B16R1.932 CCNC(=O)CCNCCC1=CCCCC1 MCULE-2822974630 [0,0,0,1,0,0|1,0,2]=4 111 B16R1.932 CCOC(=O)CCCCOC1CCCCO1 MCULE-7607027416 [0,0,0,1,0,0|3,0,0]=4 112 B16R1.932 CCOC(=O)CCNCCN1CCCCC1 MCULE-3209856698 [0,0,0,1,0,0|3,0,0]=4 113 B16R1.1193 CCCCCCCCCCCC1=CC=CN1 MCULE-8777784968 [0,0,0,1,0,0|1,0,2]=4 114 B16R1.1193 CCCCCCCCCCCC1=NC=CN1 MCULE-5754987466 [0,0,0,1,0,0|1,0,2]=4 115 B16R1.1193 CCCCCCCCCCCC1=NCCN1 MCULE-7236429521 [0,0,0,1,0,0|1,0,0]=2 116 B16R1.1193 CCCCCCCCCCCN1CCCC1 MCULE-8809793328 [0,0,0,1,0,0|3,0,0]=4 117 B16R1.1193 CCCCCCCCCCSC1=NCCN1 MCULE-2067391984 [0,0,0,1,0,0|2,0,0]=3 118 B16R1.1193 CCCCCCCCCCSC1=NCCN1 MCULE-4763753059 [0,0,0,1,0,0|2,0,0]=3 119 B16R1.1193 [NH+]1(CCCC1)CCCCCCCCCCC MCULE-9164269947 [0,0,0,1,0,0|3,0,0]=4 120 B16R1.2034 CCOC(=O)CCNC1CCCCCCC1 MCULE-3019018821 [0,0,0,1,0,0|2,0,0]=3 121 B16R1.8816 O=C1CCCCCCCCCCCCCC1 MCULE-7713299679 [0,0,0,1,0,0|1,0,0]=2 122 B16R1.8816 O=C1CCCCCCCCCCOCCO1 MCULE-5709281545 [0,0,0,1,0,0|2,0,0]=3 123 B16R1.8816 OC1CCCCCCCCCCCCCC1 MCULE-1220726144 [0,0,0,1,0,0|1,0,2]=4 124 B16R1.14009 CCOC(=O)CCCCCC1CCCC1=O MCULE-4045554984 [0,0,0,1,0,0|2,0,1]=4 125 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [2,0,0,0,0,0|1,0,0]=3 126 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [2,0,0,0,0,0|0,0,2]=4 127 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [2,0,0,0,0,0|1,0,0]=3 128 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [2,0,0,0,0,0|0,0,0]=2 129 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [2,0,0,0,0,0|1,0,0]=3 130 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [2,0,0,0,0,0|0,0,0]=2 131 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [2,0,0,0,0,0|1,0,0]=3 132 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [2,0,0,0,0,0|1,0,0]=3 133 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [2,0,0,0,0,0|1,0,0]=3 134 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [2,0,0,0,0,0|1,0,0]=3 135 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [2,0,0,0,0,0|1,0,0]=3 136 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [2,0,0,0,0,0|1,0,1]=4 137 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [2,0,0,0,0,0|0,0,2]=4 138 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [2,0,0,0,0,0|2,0,0]=4 139 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [2,0,0,0,0,0|2,0,0]=4 140 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [2,0,0,0,0,0|1,0,0]=3 141 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [2,0,0,0,0,0|1,1,0]=4 142 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [2,0,0,0,0,0|1,0,0]=3 143 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [2,0,0,0,0,0|2,0,0]=4 144 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [2,0,0,0,0,0|2,0,0]=4 145 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [2,0,0,0,0,0|1,0,0]=3 146 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [2,0,0,0,0,0|2,0,0]=4 147 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [2,0,0,0,0,0|2,0,0]=4 148 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [2,0,0,0,0,0|2,0,0]=4 149 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [2,0,0,0,0,0|2,0,0]=4 150 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [2,0,0,0,0,0|1,0,0]=3 151 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [2,0,0,0,0,0|2,0,0]=4 152 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [2,0,0,0,0,0|2,0,0]=4 153 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [2,0,0,0,0,0|2,0,0]=4 154 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [2,0,0,0,0,0|2,0,0]=4 155 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [2,0,0,0,0,0|2,0,0]=4 156 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [2,0,0,0,0,0|2,0,0]=4 157 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [2,0,0,0,0,0|2,0,0]=4 158 B13R0.147 CCCCCCC/C=C/CC(=O)CC MCULE-1079348180 [2,0,0,0,0,0|0,0,2]=4 159 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [2,0,0,0,0,0|2,0,0]=4 160 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [2,0,0,0,0,0|1,0,0]=3 161 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [2,0,0,0,0,0|1,0,0]=3 162 B13R0.147 CCCCCCCCCNC(=O)CCl MCULE-5058546046 [2,0,0,0,0,0|2,0,0]=4 163 B13R0.147 CCCCCCCNCCC(=O)NC MCULE-6698644143 [2,0,0,0,0,0|1,0,0]=3 164 B13R0.147 CCCCCCCNCCC(=O)NN MCULE-6182063140 [2,0,0,0,0,0|2,0,0]=4 165 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [2,0,0,0,0,0|2,0,0]=4 166 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [2,0,0,0,0,0|2,0,0]=4 167 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [2,0,0,0,0,0|2,0,0]=4 168 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [2,0,0,0,0,0|2,0,0]=4 169 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [2,0,0,0,0,0|2,0,0]=4 170 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [2,0,0,0,0,0|1,0,1]=4 171 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [2,0,0,0,0,0|1,0,1]=4 172 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [2,0,0,0,0,0|0,0,1]=3 173 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [2,0,0,0,0,0|1,0,1]=4 174 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [2,0,0,0,0,0|1,0,1]=4 175 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [2,0,0,0,0,0|1,0,1]=4 176 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [2,0,0,0,0,0|1,0,1]=4 177 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [2,0,0,0,0,0|0,0,1]=3 178 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [2,0,0,0,0,0|1,0,1]=4 179 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [2,0,0,0,0,0|1,0,0]=3 180 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [2,0,0,0,0,0|1,0,1]=4 181 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [2,0,0,0,0,0|1,0,1]=4 182 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [2,0,0,0,0,0|1,0,1]=4 183 B13R0.336 CCCCCCCCNCCOCC MCULE-6476025295 [2,0,0,0,0,0|2,0,0]=4 184 B13R0.336 CCCCCCCC[NH2+]CCOCC MCULE-4163142812 [2,0,0,0,0,0|2,0,0]=4 185 B13R0.336 CCCCCCCNCCCNCC MCULE-4051699159 [2,0,0,0,0,0|1,0,0]=3 186 B13R0.2 CCCCCCCCCC(=O)CCC MCULE-7843912102 [2,0,0,0,0,0|1,0,0]=3 187 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [2,0,0,0,0,0|1,0,0]=3 188 B13R0.2 CCCCCCCCCC(=O)OCCl MCULE-4204116817 [2,0,0,0,0,0|2,0,0]=4 189 B13R0.2 CCCCCCCCCC(=O)OCI MCULE-3516770567 [2,0,0,0,0,0|2,0,0]=4 190 B13R0.2 CCCCCCCCOC(=O)CCC MCULE-8890710257 [2,0,0,0,0,0|2,0,0]=4 191 B13R0.2 CCCCCCNCCC(=O)OCC MCULE-8059203538 [2,0,0,0,0,0|2,0,0]=4 192 B13R0.2 CCOC(=O)CCCCCCCCBr MCULE-7199679649 [2,0,0,0,0,0|2,0,0]=4 193 B15R0.81 CCCCCCCCCCCCC(=O)OC MCULE-6268749120 [1,1,0,0,0,0|1,0,0]=3 194 B15R0.81 COC(=O)CCCCCCCCCCC#N MCULE-3424341580 [1,1,0,0,0,0|1,0,1]=4 195 B15R0.81 COC(=O)CCCCCCCCCCCBr MCULE-7032517210 [1,1,0,0,0,0|1,0,0]=3 196 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-2097053515 [1,1,0,0,0,0|1,0,0]=3 197 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-6460421950 [1,1,0,0,0,0|1,0,0]=3 198 B15R0.84 CCCCCCCCCCCC(=O)N(C)C MCULE-4021126089 [1,1,0,0,0,0|0,0,0]=2 199 B15R0.84 CCCCCCCCCCSC(=S)N(C)C MCULE-1899156333 [1,1,0,0,0,0|1,1,0]=4 200 B15R0.172 CCC(C)CCCCCCCCC(=O)OC MCULE-9269565507 [1,1,0,0,0,0|1,0,0]=3 201 B15R0.172 COC(=O)CCCCCCCCC(O)CO MCULE-4669620712 [1,1,0,0,0,0|2,0,0]=4 202 B15R0.247 COC(=O)CCCCCCCCCC(C)C MCULE-6194864064 [1,1,0,0,0,0|1,0,0]=3 203 B15R0.324 CCCCCCCCCCC(O)C(=O)OC MCULE-7036030326 [1,1,0,0,0,0|1,0,0]=3 204 B15R0.324 CCCCCCCCNCC(C)C(=O)OC MCULE-3775062330 [1,1,0,0,0,0|2,0,0]=4 205 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC MCULE-9878066874 [1,1,0,0,0,0|1,0,1]=4 206 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC MCULE-2317645071 [1,1,0,0,0,0|1,0,0]=3 207 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC MCULE-3527439520 [1,1,0,0,0,0|1,0,0]=3 208 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC MCULE-6956447346 [1,1,0,0,0,0|2,0,0]=4 209 B15R0.70 CCCCCCCCCCCCCCCBr MCULE-8425641825 [1,1,0,0,0,0|1,0,1]=4 210 B15R0.70 CCCCCCCCCCCCCCCC MCULE-6113174809 [1,1,0,0,0,0|1,0,1]=4 211 B15R0.70 CCCCCCCCCCCCCCCI MCULE-3840639439 [1,1,0,0,0,0|1,0,1]=4 212 B15R0.70 CCCCCCCCCCCCCCCN MCULE-1378870281 [1,1,0,0,0,0|1,0,1]=4 213 B15R0.70 CCCCCCCCCCCCCCCO MCULE-4053675052 [1,1,0,0,0,0|1,0,1]=4 214 B15R0.70 CCCCCCCCCCCCCCCS MCULE-7681133186 [1,1,0,0,0,0|1,0,1]=4 215 B15R0.70 CCCCCCCCCCCCCNCC MCULE-7261878767 [1,1,0,0,0,0|0,0,1]=3 216 B15R0.70 CCCCCCCCCCCCNCCC MCULE-2378403543 [1,1,0,0,0,0|0,0,1]=3 217 B15R0.70 CCCCCCCCCCCCNCCO MCULE-1636811846 [1,1,0,0,0,0|0,0,1]=3 218 B15R0.70 CCCCCCCCCCCCOCCCl MCULE-9177808600 [1,1,0,0,0,0|1,0,1]=4 219 B15R0.70 CCCCCCCCCCCCOCCO MCULE-5043607718 [1,1,0,0,0,0|1,0,1]=4 220 B15R0.70 CCCCCCCCCCCCSCCN MCULE-9926172507 [1,1,0,0,0,0|1,0,1]=4 221 B15R0.70 CCCCCCCCCCCCSCCO MCULE-7138907549 [1,1,0,0,0,0|1,0,1]=4 222 B15R0.70 CCCCCCCCCCCNCCCC MCULE-4441534633 [1,1,0,0,0,0|1,0,1]=4 223 B15R0.70 CCCCCCCCCCCNCCCO MCULE-1917257904 [1,1,0,0,0,0|2,0,0]=4 224 B15R0.70 CCCCCCCCNCCCCCCC MCULE-1117954596 [1,1,0,0,0,0|1,0,1]=4 225 B15R0.70 CCOCCCCCCCCCCOCC MCULE-3819692514 [1,1,0,0,0,0|1,0,1]=4 226 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC MCULE-4353484799 [1,1,0,0,0,0|0,0,2]=4 227 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC MCULE-8141295559 [1,1,0,0,0,0|1,0,1]=4 228 B15R0.133 CCCCCCCC(N)CCCCCCC MCULE-9773555979 [1,1,0,0,0,0|1,0,1]=4 229 B15R0.133 CCCCCCCC(O)CCCCCCC MCULE-3401369248 [1,1,0,0,0,0|1,0,1]=4 230 B15R0.149 CCCCCCCCC(O)CCCCCC MCULE-6289717803 [1,1,0,0,0,0|1,0,1]=4 231 B15R0.164 CCCCCCCCCCCCCC(C)C MCULE-2845003178 [1,1,0,0,0,0|1,0,1]=4 232 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [1,1,0,0,0,0|0,0,2]=4 233 B15R0.2002 CCCCCCCCCCC(C)CCCC MCULE-1362110076 [1,1,0,0,0,0|1,0,1]=4 234 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC MCULE-7418543364 [1,1,0,0,0,0|1,0,1]=4 235 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C MCULE-9098653924 [1,1,0,0,0,0|1,0,1]=4 236 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC MCULE-9062171487 [1,1,0,0,0,0|1,0,1]=4 237 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC MCULE-9806856728 [1,1,0,0,0,0|1,0,1]=4 238 B15R0.370 CCCCCCCCC(O)CC(=O)OCC MCULE-1501317277 [1,1,0,0,0,0|1,0,0]=3 239 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC MCULE-3529131104 [1,1,0,0,0,0|1,0,1]=4 240 B17R0.116 CCCCCCCCCCCOC(=O)CC(=O)C MCULE-7110064872 [0,2,0,0,0,0|1,0,1]=4 241 B17R0.196 CCCCCCCCCCCCC(=O)NCCN MCULE-2582184479 [0,2,0,0,0,0|0,0,0]=2 242 B17R0.196 CCCCCCCCCCCCS(=O)CCCC MCULE-8574032886 [0,2,0,0,0,0|2,0,0]=4 243 B17R0.231 CCCCCCCCCCC(=O)CC(=O)OCC MCULE-4787178255 [0,2,0,0,0,0|1,0,0]=3 244 B17R0.250 CCCCCCCCCCCCCC(=O)CCC MCULE-6440839574 [0,2,0,0,0,0|1,0,0]=3 245 B17R0.250 CCCCCCCCCCCCCC(=O)OCC MCULE-3516792445 [0,2,0,0,0,0|1,0,0]=3 246 B17R0.250 CCCCCCCCCCCCCC(=O)OCCl MCULE-7381476592 [0,2,0,0,0,0|2,0,0]=4 247 B17R0.250 CCCCCCCCCCCCNC(=O)CCC MCULE-6235043360 [0,2,0,0,0,0|1,0,0]=3 248 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)O MCULE-2951365808 [0,2,0,0,0,0|1,0,1]=4 249 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)O MCULE-9380859811 [0,2,0,0,0,0|1,0,1]=4 250 B17R0.285 CCOC(=O)CCCCCCCCC(=O)OCC MCULE-8567024219 [0,2,0,0,0,0|1,0,1]=4 251 B17R0.383 CCCCCC(=O)CCCCCCC(=O)OCC MCULE-8741818554 [0,2,0,0,0,0|1,0,0]=3 252 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO MCULE-7412043904 [0,2,0,0,0,0|0,0,0]=2 253 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC MCULE-3948128683 [0,2,0,0,0,0|0,0,0]=2 254 B17R0.5782 CCCCCCCNC(=O)CCC(=O)NCCC MCULE-4594366863 [0,2,0,0,0,0|1,0,1]=4 255 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC MCULE-5072075224 [0,2,0,0,0,0|1,0,1]=4 256 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCCBr MCULE-2658133846 [0,2,0,0,0,0|2,0,0]=4 257 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCCN MCULE-9215663665 [0,2,0,0,0,0|2,0,0]=4 258 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C MCULE-4919172744 [0,2,0,0,0,0|2,0,0]=4 259 B17R0.192 CCCCCCCCCCCC(=O)CC[NH+](C)C MCULE-4112641680 [0,2,0,0,0,0|1,0,0]=3 260 B17R0.192 CCCCCCCCCCCC(=O)CC[NH+](C)C MCULE-5582148883 [0,2,0,0,0,0|1,0,0]=3 261 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O MCULE-6143868562 [0,2,0,0,0,0|0,0,1]=3 262 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[O-] MCULE-5889398964 [0,2,0,0,0,0|0,0,1]=3 263 B17R0.192 CCCCCCCCCCCC(=O)OCC(C)C MCULE-3036473776 [0,2,0,0,0,0|1,0,0]=3 264 B17R0.3110 CCCCCCCCCCCC(=O)CCCCC MCULE-9985880273 [0,2,0,0,0,0|1,0,0]=3 265 B17R0.3110 CCCCCCCCCCCC(=O)OCCCC MCULE-4462350535 [0,2,0,0,0,0|1,0,0]=3 266 B15R1.12 CCCCCCCCC1CCC(=O)CC1 MCULE-3877943983 [1,0,0,1,0,0|0,0,0]=2 267 B15R1.12 CCCCOCCOC1CCC(=O)CC1 MCULE-4651102103 [1,0,0,1,0,0|2,0,0]=4 268 B15R1.1052 CCCCC1CCCCC1OC(=O)CC MCULE-7582349458 [1,0,0,1,0,0|1,0,0]=3 269 B15R1.6326 CCCCCCCCC1CC1C(=O)NO MCULE-9235033063 [1,0,0,1,0,0|1,0,0]=3 270 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [1,0,0,1,0,0|1,0,0]=3 271 B15R1.11631 COC(=O)CCCCCCCCC1CO1 MCULE-1178066242 [1,0,0,1,0,0|2,0,0]=4 272 B15R1.35 CCCCCCCCCC1CCCCC1 MCULE-5301866570 [1,0,0,1,0,0|1,0,1]=4 273 B15R1.35 CCCCCCCCCN1CCNCC1 MCULE-2741944149 [1,0,0,1,0,0|1,0,1]=4 274 B15R1.2988 C1CCCCCCCCCCCCCC1 MCULE-3080496617 [1,0,0,1,0,0|1,0,1]=4 275 B15R1.6328 CCCCCCCCN1CCCNCC1 MCULE-9588416412 [1,0,0,1,0,0|1,0,1]=4 276 B15R1.106 CCCCCCCCC1CCCC(=O)O1 MCULE-2792905042 [1,0,0,1,0,0|2,0,0]=4 277 B15R1.768 CCOC(=O)CCN1CCCCC1CC MCULE-5791107135 [1,0,0,1,0,0|2,0,0]=4 278 B15R1.832 CCCCC1CC1CCCC(=O)OCC MCULE-3691869431 [1,0,0,1,0,0|1,0,0]=3 279 B15R1.1252 CCOC(=O)CCNC1CCCCC1C MCULE-1242997753 [1,0,0,1,0,0|2,0,0]=4 280 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 MCULE-2052294345 [1,0,0,1,0,0|2,0,0]=4 281 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 MCULE-9147181340 [1,0,0,1,0,0|2,0,0]=4 282 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 MCULE-5702909949 [0,1,0,1,0,0|2,0,0]=4 283 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 MCULE-9258997152 [0,1,0,1,0,0|2,0,0]=4 284 B17R1.11267 CC1CCCCCCCCCCCCC(=O)C1 MCULE-6947527863 [0,1,0,1,0,0|1,0,0]=3 285 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 MCULE-5431997913 [0,1,0,1,0,0|1,0,0]=3 286 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-1430680475 [0,1,0,1,0,0|1,0,1]=4 287 B17R1.11298 O=C1CCCC=CCCCCCCCCCC1 MCULE-8227436556 [0,1,0,1,0,0|1,0,1]=4 288 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 MCULE-2237516421 [0,1,0,1,0,0|1,0,0]=3 289 B17R1.16924 CCCCCCCCCCC1CC(=O)OC1=O MCULE-9651527764 [0,1,0,1,0,0|1,0,1]=4 290 B17R1.444 O=C1CCCCCCCCCCCCCC1O MCULE-8613374918 [0,1,0,1,0,0|1,0,0]=3 291 B17R1.956 CCOC(=O)CCCCC(=O)C1CCCCC1 MCULE-7256441119 [0,1,0,1,0,0|1,0,1]=4 292 B17R1.22051 CCOC(=O)CCCCCCC(=O)C1CCC1 MCULE-1931112529 [0,1,0,1,0,0|1,0,1]=4 293 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 MCULE-3556616768 [0,1,0,1,0,0|1,0,1]=4 294 B17R1.1001 CCOC(=O)CCCCCC(=O)C1CCCC1 MCULE-1292153967 [0,1,0,1,0,0|1,0,1]=4 295 B17R1.29775 CCCCCCCCCCNC(=S)NC1CC1 MCULE-7908502660 [0,1,0,1,0,0|1,1,0]=4 296 B17R2.38932 O=C1C=C2CCCCCCCCCC(C1)C2 MCULE-7295998117 [0,0,0,2,0,0|1,0,1]=4 297 B17R2.132210 C12CCCC(=O)N(C1(CCCCN2)C)CC MCULE-7040187450 [0,0,0,2,0,0|1,0,0]=3 298 B17R2.6215 CCOC(=O)C1CCCC1NC2CCCC2 MCULE-8274497114 [0,0,0,2,0,0|2,0,0]=4 299 B17R2.254747 O=C1NCCCCCCNC2C1CCCC2 MCULE-1714348468 [0,0,0,2,0,0|1,0,0]=3 300 B17R2.254747 O=C1NCCCCCCN[C@@H]2[C@H]1CCCC2 MCULE-6259990936 [0,0,0,2,0,0|1,0,0]=3 301 B17R2.254747 O=C1NCCOCCCNC2C1CCCC2 MCULE-7551997044 [0,0,0,2,0,0|2,0,0]=4 302 B17R2.254747 O=C1NCCOCCCN[C@@H]2[C@H]1CCCC2 MCULE-5904876763 [0,0,0,2,0,0|2,0,0]=4