0 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C#CCCCCCCCCCBr MCULE-7590250790 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [0,0,0,0,0,0|1,0,3]=4 3 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [0,0,0,0,0,0|0,0,4]=4 4 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [0,0,0,0,0,0|1,0,1]=2 7 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [0,0,0,0,0,0|1,0,1]=2 8 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [0,0,0,0,0,0|1,0,1]=2 9 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [0,0,0,0,0,0|0,0,4]=4 13 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [0,0,0,0,0,0|0,0,4]=4 14 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [0,0,0,0,0,0|0,0,2]=2 16 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [0,0,0,0,0,0|1,0,3]=4 17 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [0,0,0,0,0,0|1,0,3]=4 18 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [0,0,0,0,0,0|1,0,3]=4 19 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [0,0,0,0,0,0|1,0,3]=4 20 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [0,0,0,0,0,0|1,0,3]=4 21 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [0,0,0,0,0,0|0,0,4]=4 22 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [0,0,0,0,0,0|0,1,3]=4 23 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [0,0,0,0,0,0|1,0,1]=2 32 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [0,0,0,0,0,0|1,0,3]=4 35 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.3 N#CCCCCCCCCC#N MCULE-6480099494 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [0,0,0,0,0,0|1,0,3]=4 47 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [0,0,0,0,0,0|1,0,1]=2 48 B11R0.3 O=CNCCCCCCNC=O MCULE-7870977207 [0,0,0,0,0,0|3,0,0]=3 49 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [0,0,0,0,0,0|1,0,3]=4 50 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [0,0,0,0,0,0|1,0,3]=4 51 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [0,0,0,0,0,0|1,0,3]=4 52 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [0,0,0,0,0,0|1,0,3]=4 53 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [0,0,0,0,0,0|1,1,2]=4 54 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [1,0,0,0,0,0|0,0,3]=4 56 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [1,0,0,0,0,0|0,0,3]=4 57 B10R0.71 C=CCCCCCCCC#N MCULE-1262733029 [1,0,0,0,0,0|1,0,1]=3 58 B10R0.71 C=CCCCCCCCC=C MCULE-5336376495 [1,0,0,0,0,0|0,0,1]=2 59 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,0,0,0,0,0|0,0,0]=1 60 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [1,0,0,0,0,0|1,0,0]=2 61 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,0,0,0,0|0,0,1]=2 62 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [1,0,0,0,0,0|1,0,0]=2 63 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [1,0,0,0,0,0|1,0,0]=2 64 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [1,0,0,0,0,0|1,0,0]=2 65 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [1,0,0,0,0,0|0,0,1]=2 66 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [1,0,0,0,0,0|1,0,1]=3 67 B10R0.71 C=CCNCCCNCC=C MCULE-3172459588 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.71 C=CCNCCCNCC=C MCULE-9812592753 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.71 C=CCOCCSCCCC MCULE-5814639814 [1,0,0,0,0,0|2,0,1]=4 70 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,0,0,0,0,0|0,0,3]=4 72 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,0,0,0,0,0|0,0,3]=4 73 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,0,0,0,0,0|0,0,3]=4 74 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,0,0,0,0,0|0,0,3]=4 75 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [1,0,0,0,0,0|1,0,2]=4 76 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,0,0,0,0|0,0,1]=2 77 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,0,0,0,0,0|0,0,3]=4 79 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [1,0,0,0,0,0|1,0,2]=4 80 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [1,0,0,0,0,0|1,0,2]=4 81 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,0,0,0,0|0,0,3]=4 84 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [1,0,0,0,0,0|0,1,2]=4 85 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,0,0,0,0,0|1,0,2]=4 86 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,0,0,0,0,0|1,0,2]=4 87 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,0,0,0,0|1,0,2]=4 88 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,0,0,0,0,0|1,0,2]=4 90 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [1,0,0,0,0,0|1,0,2]=4 91 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,0,0,0,0|1,0,1]=3 92 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,0,0,0,0|1,0,1]=3 93 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,0,0,0,0,0|1,0,2]=4 94 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [1,0,0,0,0,0|2,0,1]=4 96 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [1,0,0,0,0,0|1,0,2]=4 97 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,0,0,0,0|1,0,0]=2 98 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [1,0,0,0,0,0|1,0,2]=4 99 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [1,0,0,0,0,0|1,0,2]=4 100 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [1,0,0,0,0,0|1,0,2]=4 101 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [1,0,0,0,0,0|1,0,2]=4 102 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [1,0,0,0,0,0|1,0,2]=4 103 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [1,0,0,0,0,0|1,1,1]=4 104 B12R0.1 C=CCC(C)CCCCCCCC MCULE-8322698729 [0,1,0,0,0,0|1,0,1]=3 105 B12R0.5 C=CCCCCCCCCCC#N MCULE-4908683971 [0,1,0,0,0,0|1,0,1]=3 106 B12R0.5 C=CCCCCCCCCCC=C MCULE-6862008178 [0,1,0,0,0,0|1,0,0]=2 107 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [0,1,0,0,0,0|0,0,0]=1 108 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [0,1,0,0,0,0|1,0,1]=3 109 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [0,1,0,0,0,0|1,0,1]=3 110 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [0,1,0,0,0,0|0,0,2]=3 111 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [0,1,0,0,0,0|0,0,2]=3 112 B12R0.5 C=CCOCCNCCOCC=C MCULE-5947676164 [0,1,0,0,0,0|3,0,0]=4 113 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [0,1,0,0,0,0|1,0,1]=3 114 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [0,1,0,0,0,0|1,0,1]=3 115 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [0,1,0,0,0,0|0,0,3]=4 116 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [0,1,0,0,0,0|1,0,1]=3 117 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [0,1,0,0,0,0|0,0,3]=4 118 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [0,1,0,0,0,0|0,0,2]=3 119 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [0,1,0,0,0,0|0,0,2]=3 120 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [0,1,0,0,0,0|0,0,2]=3 121 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [0,1,0,0,0,0|0,0,2]=3 122 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,1,0,0,0,0|0,0,2]=3 124 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [0,1,0,0,0,0|1,0,1]=3 125 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [0,1,0,0,0,0|1,0,1]=3 126 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [0,1,0,0,0,0|1,0,1]=3 127 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [0,1,0,0,0,0|0,0,0]=1 128 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [0,1,0,0,0,0|0,0,0]=1 129 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [0,1,0,0,0,0|0,0,0]=1 130 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,1,0,0,0,0|0,0,0]=1 131 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [0,1,0,0,0,0|0,0,0]=1 132 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [0,1,0,0,0,0|0,0,0]=1 133 B12R0.234 C=CCCCCCCCCN(=O)=O MCULE-9960791760 [0,1,0,0,0,0|1,0,0]=2 134 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [0,1,0,0,0,0|1,0,0]=2 135 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [0,1,0,0,0,0|0,0,3]=4 136 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [0,1,0,0,0,0|2,0,1]=4 137 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,1,0,0,0,0|0,0,2]=3 138 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,1,0,0,0,0|0,0,2]=3 139 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,0,0,0,0|0,0,2]=3 140 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,1,0,0,0,0|0,0,2]=3 141 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [0,1,0,0,0,0|1,0,2]=4 142 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [0,1,0,0,0,0|1,0,2]=4 143 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,1,0,0,0,0|1,0,2]=4 144 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,1,0,0,0,0|1,0,2]=4 145 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,1,0,0,0,0|1,0,2]=4 146 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,1,0,0,0,0|1,0,2]=4 147 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,1,0,0,0,0|1,0,2]=4 148 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,1,0,0,0,0|1,0,2]=4 149 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,1,0,0,0,0|1,0,2]=4 150 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,1,0,0,0,0|1,0,2]=4 151 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,1,0,0,0,0|1,0,2]=4 152 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,1,0,0,0,0|1,0,1]=3 153 B12R0.234 N#N=NCCCCCCCC(=O)O MCULE-5693417997 [0,1,0,0,0,0|3,0,0]=4 154 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,1,0,0,0,0|1,0,1]=3 155 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,1,0,0,0,0|1,0,1]=3 156 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,1,0,0,0,0|1,0,1]=3 157 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,1,0,0,0,0|1,0,1]=3 158 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [0,1,0,0,0,0|2,0,1]=4 159 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [0,1,0,0,0,0|2,0,1]=4 160 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [0,1,0,0,0,0|2,0,1]=4 161 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [0,1,0,0,0,0|0,0,2]=3 162 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [0,1,0,0,0,0|1,0,2]=4 163 B12R1.8 C=CCCCCC1CCCCC1 MCULE-1420996147 [0,0,0,1,0,0|1,0,1]=3 164 B12R1.8 C=CCCCOC1CCCCO1 MCULE-4661795005 [0,0,0,1,0,0|1,0,2]=4 165 B12R1.8 C=CCCCOC1CCCNC1 MCULE-2546068759 [0,0,0,1,0,0|3,0,0]=4 166 B12R1.8 C=CCCCOC1CCCNC1 MCULE-7029929169 [0,0,0,1,0,0|3,0,0]=4 167 B12R1.8 C=CCOCCC1CCCCN1 MCULE-3208226255 [0,0,0,1,0,0|2,0,1]=4 168 B12R1.8 C=CCOCCC1CCCCN1 MCULE-5767070473 [0,0,0,1,0,0|2,0,1]=4 169 B12R1.8 C=CCOCCC1CCCNC1 MCULE-1147857217 [0,0,0,1,0,0|3,0,0]=4 170 B12R1.8 C=CCOCCC1CCCNC1 MCULE-7362595979 [0,0,0,1,0,0|3,0,0]=4 171 B12R1.18 CCCCN1CCCCCC1=O MCULE-2860927768 [0,0,0,1,0,0|1,0,2]=4 172 B12R1.18 N#CCCN1CCCCCC1=O MCULE-1773998051 [0,0,0,1,0,0|2,0,1]=4 173 B12R1.18 NCCCN1CCCCCC1=O MCULE-7534720301 [0,0,0,1,0,0|2,0,1]=4 174 B12R1.18 NCCCN1CCCCCC1=O MCULE-7641696435 [0,0,0,1,0,0|2,0,1]=4 175 B12R1.37 C=CCCCOCC1CCNC1 MCULE-1893572611 [0,0,0,1,0,0|3,0,0]=4 176 B12R1.37 C=CCCCOCC1CCNC1 MCULE-8568203390 [0,0,0,1,0,0|3,0,0]=4 177 B12R1.52 C#CCN1CCCCCCC1=O MCULE-5498585719 [0,0,0,1,0,0|1,0,2]=4 178 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [0,0,0,1,0,0|0,0,2]=3 180 B12R1.267 NCCCCN1CCCCC1=O MCULE-5609841049 [0,0,0,1,0,0|2,0,1]=4 181 B12R1.267 O=C1CCCCC1CNCCBr MCULE-7462371251 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.267 O=C1CCCCC1CNCCBr MCULE-8159055342 [0,0,0,1,0,0|2,0,1]=4 183 B12R1.329 C=CCNC1CCCCCCC1 MCULE-4436940732 [0,0,0,1,0,0|2,0,1]=4 184 B12R1.329 C=CCNC1CCCCCCC1 MCULE-7467999336 [0,0,0,1,0,0|2,0,1]=4 185 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [0,0,0,1,0,0|0,0,2]=3 186 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.372 CCCCCCN1CCCC1=O MCULE-1097521229 [0,0,0,1,0,0|1,0,2]=4 188 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [0,0,0,1,0,0|1,0,1]=3 189 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [0,0,0,1,0,0|1,0,1]=3 190 B12R1.1414 C=CCCCC1CCCCCC1 MCULE-7969593113 [0,0,0,1,0,0|1,0,1]=3 191 B9R0.45 BrCCCCCCCCBr MCULE-7960475988 [2,0,0,0,0,0|2,0,0]=4 192 B9R0.45 C#CCCCCCCCC MCULE-3452683648 [2,0,0,0,0,0|0,0,2]=4 193 B9R0.45 C=CCCCCCCC#N MCULE-9683735042 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.45 C=CCCCCCCC=C MCULE-5867550577 [2,0,0,0,0,0|0,0,1]=3 195 B9R0.45 C=CCCCCCCC=O MCULE-4979248929 [2,0,0,0,0,0|0,0,0]=2 196 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [2,0,0,0,0,0|1,0,0]=3 197 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [2,0,0,0,0,0|0,0,0]=2 198 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [2,0,0,0,0,0|1,0,0]=3 199 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [2,0,0,0,0,0|1,0,0]=3 200 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [2,0,0,0,0,0|1,0,0]=3 201 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [2,0,0,0,0,0|0,0,1]=3 202 B9R0.45 C=CCCNCCCCO MCULE-4909275740 [2,0,0,0,0,0|1,0,1]=4 203 B9R0.45 CC/C=C\CCCCC=O MCULE-6517193376 [2,0,0,0,0,0|0,0,2]=4 204 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [2,0,0,0,0,0|0,0,2]=4 205 B9R0.45 CCC=CCCCCC=O MCULE-5419350827 [2,0,0,0,0,0|0,0,2]=4 206 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [2,0,0,0,0,0|0,0,2]=4 207 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [2,0,0,0,0,0|0,0,2]=4 208 B9R0.45 CCCCCCCCC#N MCULE-9980153452 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [2,0,0,0,0,0|0,0,0]=2 210 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.45 CCCCCCCCCC MCULE-6071426098 [2,0,0,0,0,0|0,0,2]=4 212 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.45 CCCCCCCCCF MCULE-9584148452 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.45 CCCCCCCCCI MCULE-8717337450 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.45 CCCCCCCCCN MCULE-5395407299 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.45 CCCCCCCCCO MCULE-4020281400 [2,0,0,0,0,0|0,0,2]=4 217 B9R0.45 CCCCCCCCCS MCULE-1070515106 [2,0,0,0,0,0|0,1,1]=4 218 B9R0.45 CCCCCCCCNC MCULE-6996288442 [2,0,0,0,0,0|1,0,1]=4 219 B9R0.45 CCCCCCCCOC MCULE-4646070035 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.45 CCCCCCCCSC MCULE-5517176664 [2,0,0,0,0,0|1,0,1]=4 221 B9R0.45 CCCCCCCN=C=O MCULE-8681396809 [2,0,0,0,0,0|1,0,1]=4 222 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [2,0,0,0,0,0|1,0,0]=3 223 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [2,0,0,0,0,0|1,0,0]=3 224 B9R0.45 ClCCCCCCCCCl MCULE-7522868799 [2,0,0,0,0,0|2,0,0]=4 225 B9R0.45 ICCCCCCCCI MCULE-6544838106 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.45 NCCCCCCCCBr MCULE-6623783968 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.45 NCCCCCCCCBr MCULE-9911947498 [2,0,0,0,0,0|2,0,0]=4 228 B9R0.45 NCCCCCCCCN MCULE-1106731228 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.45 NCCCCCCCCN MCULE-9889097856 [2,0,0,0,0,0|2,0,0]=4 230 B9R0.45 NCCCCCCCCO MCULE-1230018398 [2,0,0,0,0,0|1,0,1]=4 231 B9R0.45 O=CCCCCCCC=O MCULE-6545234470 [2,0,0,0,0,0|1,0,0]=3 232 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [2,0,0,0,0,0|1,0,1]=4 233 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [2,0,0,0,0,0|1,0,1]=4 234 B9R0.45 OCCCCCCCCI MCULE-7793639517 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.45 OCCCCCCCCO MCULE-7897417838 [2,0,0,0,0,0|1,0,1]=4 236 B9R0.45 OCCCCCCCCS MCULE-8372814979 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.45 SCCCCCCCCS MCULE-5325130158 [2,0,0,0,0,0|1,1,0]=4 238 B11R0.4 C=CCC(C)CCCCCCC MCULE-9517976108 [1,1,0,0,0,0|0,0,1]=3 239 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [1,1,0,0,0,0|0,0,2]=4 240 B11R0.40 C=CCCCCCCC(O)CN MCULE-2780524307 [1,1,0,0,0,0|1,0,0]=3 241 B11R0.40 C=CS(=O)CCCCCCCC MCULE-1360438768 [1,1,0,0,0,0|1,0,1]=4 242 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [1,1,0,0,0,0|0,0,2]=4 243 B11R0.40 CCCCCCCCC(C)C=O MCULE-9301043210 [1,1,0,0,0,0|0,0,1]=3 244 B11R0.40 CCCCCCCC[C@@H](Br)C=O MCULE-3823724408 [1,1,0,0,0,0|0,0,1]=3 245 B11R0.40 CCCCCCCC[C@H](C)C=O MCULE-7337993182 [1,1,0,0,0,0|0,0,1]=3 246 B11R0.140 C=CCCCC(O)CCCC=C MCULE-5222419035 [1,1,0,0,0,0|0,0,1]=3 247 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [1,1,0,0,0,0|0,0,2]=4 248 B11R0.148 C=C(Br)CCCCCCCC#N MCULE-9330962697 [1,1,0,0,0,0|1,0,1]=4 249 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [1,1,0,0,0,0|0,0,1]=3 250 B11R0.148 C=C(C)CCCCCCCC#N MCULE-9047905081 [1,1,0,0,0,0|1,0,1]=4 251 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [1,1,0,0,0,0|0,0,1]=3 252 B11R0.148 C=C(Cl)CCCCCCCC#N MCULE-1260885724 [1,1,0,0,0,0|1,0,1]=4 253 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [1,1,0,0,0,0|0,0,1]=3 254 B11R0.148 C=CCCCCCCCC(=C)C MCULE-4065354989 [1,1,0,0,0,0|0,0,1]=3 255 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [1,1,0,0,0,0|0,0,0]=2 256 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [1,1,0,0,0,0|1,0,0]=3 257 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [1,1,0,0,0,0|1,0,0]=3 258 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [1,1,0,0,0,0|1,0,0]=3 259 B11R0.148 C=CCOCCOCCC(=O)O MCULE-8239467569 [1,1,0,0,0,0|2,0,0]=4 260 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,1,0,0,0,0|1,0,0]=3 261 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [1,1,0,0,0,0|1,0,1]=4 262 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [1,1,0,0,0,0|1,0,1]=4 263 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [1,1,0,0,0,0|1,0,1]=4 264 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,1,0,0,0,0|0,0,1]=3 265 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [1,1,0,0,0,0|0,0,1]=3 266 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [1,1,0,0,0,0|0,0,1]=3 267 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,1,0,0,0,0|0,0,1]=3 268 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,1,0,0,0,0|0,0,1]=3 269 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,1,0,0,0,0|0,0,1]=3 270 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [1,1,0,0,0,0|0,0,1]=3 271 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [1,1,0,0,0,0|0,0,1]=3 272 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [1,1,0,0,0,0|1,0,1]=4 273 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [1,1,0,0,0,0|1,0,1]=4 274 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [1,1,0,0,0,0|1,0,1]=4 275 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [1,1,0,0,0,0|1,0,1]=4 276 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,1,0,0,0,0|1,0,1]=4 277 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,1,0,0,0,0|1,0,1]=4 278 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,1,0,0,0,0|1,0,1]=4 280 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,1,0,0,0,0|1,0,0]=3 281 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,1,0,0,0,0|1,0,0]=3 282 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,1,0,0,0,0|1,0,0]=3 283 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,1,0,0,0,0|1,0,0]=3 284 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,1,0,0,0,0|1,0,0]=3 285 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [1,1,0,0,0,0|1,0,0]=3 286 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [1,1,0,0,0,0|2,0,0]=4 287 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [1,1,0,0,0,0|2,0,0]=4 288 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [0,2,0,0,0,0|1,0,1]=4 289 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [0,2,0,0,0,0|1,0,1]=4 290 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [0,2,0,0,0,0|1,0,1]=4 291 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [0,2,0,0,0,0|0,0,2]=4 292 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [0,2,0,0,0,0|0,0,2]=4 293 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,2,0,0,0,0|0,0,2]=4 294 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,2,0,0,0,0|1,0,1]=4 295 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,2,0,0,0,0|1,0,0]=3 296 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,2,0,0,0,0|0,0,0]=2 297 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,2,0,0,0,0|0,0,0]=2 298 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [0,2,0,0,0,0|0,0,1]=3 299 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,2,0,0,0,0|0,0,0]=2 300 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,2,0,0,0,0|0,0,2]=4 301 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,2,0,0,0,0|0,0,2]=4 302 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,2,0,0,0,0|0,0,2]=4 303 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,2,0,0,0,0|0,0,2]=4 304 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,2,0,0,0,0|0,0,2]=4 305 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,2,0,0,0,0|0,0,2]=4 306 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,2,0,0,0,0|0,0,2]=4 307 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,2,0,0,0,0|0,0,2]=4 308 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,2,0,0,0,0|0,0,2]=4 309 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,2,0,0,0,0|0,0,2]=4 310 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,2,0,0,0,0|0,0,2]=4 311 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,2,0,0,0,0|0,0,2]=4 312 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,2,0,0,0,0|0,0,2]=4 313 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,2,0,0,0,0|0,0,2]=4 314 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,2,0,0,0,0|0,0,2]=4 315 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,2,0,0,0,0|0,0,2]=4 316 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,2,0,0,0,0|0,0,2]=4 317 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [0,2,0,0,0,0|2,0,0]=4 318 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,2,0,0,0,0|0,0,2]=4 319 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,2,0,0,0,0|0,0,2]=4 320 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,2,0,0,0,0|0,0,2]=4 321 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,2,0,0,0,0|0,0,2]=4 322 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [0,2,0,0,0,0|0,0,2]=4 323 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [0,2,0,0,0,0|0,0,2]=4 324 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,2,0,0,0,0|0,0,2]=4 325 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,2,0,0,0,0|0,0,2]=4 326 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,2,0,0,0,0|0,0,2]=4 327 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,2,0,0,0,0|0,0,2]=4 328 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,2,0,0,0,0|1,0,1]=4 329 B13R0.147 C#CCCCCCCCCC(=O)NO MCULE-1776052395 [0,2,0,0,0,0|0,0,2]=4 330 B13R0.147 C#CCCCCCCCCC(=O)OC MCULE-3643245325 [0,2,0,0,0,0|0,0,2]=4 331 B13R0.147 C=CCCCCCCCCC(=O)NN MCULE-1975489838 [0,2,0,0,0,0|0,0,0]=2 332 B13R0.147 C=CCCCCCCCCC(=O)NO MCULE-4384177401 [0,2,0,0,0,0|0,0,0]=2 333 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,2,0,0,0,0|0,0,0]=2 334 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,2,0,0,0,0|0,0,2]=4 335 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,2,0,0,0,0|0,0,2]=4 336 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [0,2,0,0,0,0|0,0,2]=4 337 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,2,0,0,0,0|0,0,1]=3 338 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,2,0,0,0,0|1,0,1]=4 339 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,2,0,0,0,0|1,0,1]=4 340 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,2,0,0,0,0|1,0,1]=4 341 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,2,0,0,0,0|1,0,1]=4 342 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [0,2,0,0,0,0|1,0,0]=3 343 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [0,2,0,0,0,0|1,0,1]=4 344 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [0,2,0,0,0,0|1,0,1]=4 345 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [0,2,0,0,0,0|0,0,2]=4 346 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [0,2,0,0,0,0|1,0,1]=4 347 B13R0.336 CCCCCCCCCCC=CC#N MCULE-5311798650 [0,2,0,0,0,0|1,0,1]=4 348 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [0,2,0,0,0,0|1,0,1]=4 349 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [0,2,0,0,0,0|0,0,2]=4 350 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [0,2,0,0,0,0|0,0,1]=3 351 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [0,2,0,0,0,0|0,0,2]=4 352 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [0,2,0,0,0,0|0,0,2]=4 353 B13R0.188 C=CCCOC(=O)CCCCC(=O)O MCULE-1239764393 [0,2,0,0,0,0|1,0,1]=4 354 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [0,2,0,0,0,0|0,0,2]=4 355 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [0,2,0,0,0,0|0,0,2]=4 356 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [0,2,0,0,0,0|0,0,2]=4 357 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [0,2,0,0,0,0|0,0,2]=4 358 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [0,2,0,0,0,0|0,0,2]=4 359 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [0,2,0,0,0,0|0,0,2]=4 360 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [0,2,0,0,0,0|0,0,1]=3 361 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,2,0,0,0,0|0,0,1]=3 362 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,2,0,0,0,0|0,0,2]=4 363 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,2,0,0,0,0|0,0,2]=4 364 B13R0.179 NC(=O)CCCCCCCCC(=O)N MCULE-4459267910 [0,2,0,0,0,0|1,0,0]=3 365 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [0,2,0,0,0,0|1,0,0]=3 366 B13R0.179 NC(=O)CCCCCCCCC(=O)[O-] MCULE-9835231552 [0,2,0,0,0,0|1,0,0]=3 367 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl MCULE-1861027504 [0,2,0,0,0,0|1,0,0]=3 368 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [0,2,0,0,0,0|1,0,0]=3 369 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-6225615294 [0,2,0,0,0,0|1,0,0]=3 370 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-8793407892 [0,2,0,0,0,0|1,0,0]=3 371 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-9026337383 [0,2,0,0,0,0|1,0,0]=3 372 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,2,0,0,0,0|0,0,2]=4 373 B13R0.412 CCCCCCCCCC(C=O)CC MCULE-6879865212 [0,2,0,0,0,0|0,0,2]=4 374 B11R1.4 C=CCCNCC1CCCO1 MCULE-7403108950 [1,0,0,1,0,0|1,0,1]=4 375 B11R1.5 CCCC1CCCCNC1=O MCULE-1989909498 [1,0,0,1,0,0|1,0,1]=4 376 B11R1.5 NCCN1CCCCCC1=O MCULE-6085364731 [1,0,0,1,0,0|2,0,0]=4 377 B11R1.5 O=C1CCCCCN1CCO MCULE-2748237095 [1,0,0,1,0,0|2,0,0]=4 378 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O MCULE-9735733156 [1,0,0,1,0,0|1,0,1]=4 379 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O MCULE-7288532879 [1,0,0,1,0,0|1,0,1]=4 380 B11R1.17 N#CCCC1CCCCC1=O MCULE-6518120828 [1,0,0,1,0,0|1,0,1]=4 381 B11R1.17 NCCCN1CCCCC1=O MCULE-3264201427 [1,0,0,1,0,0|2,0,0]=4 382 B11R1.17 O=C1CCCCC1CCCO MCULE-6491492717 [1,0,0,1,0,0|1,0,0]=3 383 B11R1.17 O=C1CCCCN1CCCO MCULE-3358401474 [1,0,0,1,0,0|2,0,0]=4 384 B11R1.26 O=CC1=C(CCCCCC1)Cl MCULE-9053988440 [1,0,0,1,0,0|1,0,1]=4 385 B11R1.28 C=CCCCC1CCCCC1 MCULE-7312271164 [1,0,0,1,0,0|0,0,1]=3 386 B11R1.28 C=CCCCC1OCCCO1 MCULE-1837699899 [1,0,0,1,0,0|1,0,1]=4 387 B11R1.28 C=CCCOC1CCCCC1 MCULE-8490111049 [1,0,0,1,0,0|1,0,1]=4 388 B11R1.28 C=CCNCC1CCCCC1 MCULE-2828762425 [1,0,0,1,0,0|1,0,1]=4 389 B11R1.28 O=CCCCC1CCCCC1 MCULE-8571570461 [1,0,0,1,0,0|0,0,1]=3 390 B11R1.28 O=CCCOC1CCCCC1 MCULE-4673250182 [1,0,0,1,0,0|1,0,1]=4 391 B11R1.28 O=CCOCC1CCCCC1 MCULE-7612102606 [1,0,0,1,0,0|1,0,1]=4 392 B11R1.99 C=CCCCCCCC1CO1 MCULE-7968068959 [1,0,0,1,0,0|0,0,1]=3 393 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [1,0,0,1,0,0|0,0,1]=3 394 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [1,0,0,1,0,0|1,0,0]=3 395 B11R1.101 O=C1CCNCCCCCN1 MCULE-1892904766 [1,0,0,1,0,0|2,0,0]=4 396 B11R1.117 C=CCC1CCCCCCC1 MCULE-5863038923 [1,0,0,1,0,0|0,0,1]=3 397 B11R1.180 CCCCCC1CCCC1=O MCULE-7048040111 [1,0,0,1,0,0|0,0,1]=3 398 B11R1.180 CCCCCN1CCCC1=O MCULE-7791437264 [1,0,0,1,0,0|1,0,1]=4 399 B11R1.180 NCCCCN1CCCC1=O MCULE-2895726457 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.180 NCCCCN1CCCC1=O MCULE-8478246977 [1,0,0,1,0,0|2,0,0]=4 401 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [1,0,0,1,0,0|0,0,1]=3 402 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,1,0,1,0,0|0,0,2]=4 403 B13R1.6 N#CCCCCC1CCCC(=O)C1 MCULE-6540271443 [0,1,0,1,0,0|1,0,1]=4 404 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,1,0,1,0,0|1,0,1]=4 405 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,1,0,1,0,0|0,0,2]=4 406 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,1,0,1,0,0|0,0,2]=4 407 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,1,0,1,0,0|0,0,2]=4 408 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [0,1,0,1,0,0|0,0,2]=4 409 B13R1.654 NCCCCCCN1CCCC1=O MCULE-3326150174 [0,1,0,1,0,0|1,0,1]=4 410 B13R1.28 C=CCCCOCC1CCCNC1 MCULE-1388192137 [0,1,0,1,0,0|2,0,0]=4 411 B13R1.28 C=CCCCOCC1CCCNC1 MCULE-2475035835 [0,1,0,1,0,0|2,0,0]=4 412 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [0,1,0,1,0,0|0,0,2]=4 413 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,1,0,1,0,0|0,0,2]=4 414 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,1,0,1,0,0|0,0,2]=4 415 B13R1.674 C=CCOC(=O)C1CCCCC1=O MCULE-8637464173 [0,1,0,1,0,0|1,0,1]=4 416 B13R1.158 O=C(O)CCCN1CCCCC1=O MCULE-9681527343 [0,1,0,1,0,0|2,0,0]=4 417 B13R1.167 O=C(O)CCCCN1CCCC1=O MCULE-9177878757 [0,1,0,1,0,0|2,0,0]=4 418 B13R1.280 O=C(O)CCN1CCCCCC1=O MCULE-5062326708 [0,1,0,1,0,0|2,0,0]=4 419 B13R1.283 O=C(O)CN1CCCCCCC1=O MCULE-5316467172 [0,1,0,1,0,0|2,0,0]=4 420 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [0,1,0,1,0,0|1,0,1]=4 421 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,1,0,1,0,0|0,0,2]=4 422 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [0,1,0,1,0,0|1,0,1]=4 423 B13R2.14 O=C1CCCCC12CCCCC2 MCULE-9031710972 [0,0,0,2,0,0|0,0,2]=4 424 B13R2.208 O=C1CCCCCC12CCCC2 MCULE-8639165491 [0,0,0,2,0,0|0,0,2]=4 425 B13R2.18 O=C1CCCCC1C2CCCN2 MCULE-7054451001 [0,0,0,2,0,0|1,0,1]=4 426 B13R2.18 O=C1CCCCC1C2CCCO2 MCULE-8833551403 [0,0,0,2,0,0|1,0,1]=4 427 B13R2.18 O=C1CCCCC1C2CCOC2 MCULE-8025715501 [0,0,0,2,0,0|1,0,1]=4 428 B13R2.369 O=C1CC2CCCCC2CC1Br MCULE-1955855679 [0,0,0,2,0,0|1,0,1]=4 429 B13R2.168 O=C1CCCCC12CCOC2=O MCULE-8725196159 [0,0,0,2,0,0|2,0,0]=4 430 B13R2.342 O=C1CCCC2C1CCCC2=O MCULE-3119005296 [0,0,0,2,0,0|1,0,0]=3 431 B13R2.181 O=C1CCCC1C2CCCC2=O MCULE-4860075128 [0,0,0,2,0,0|1,0,0]=3