0 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.54 C(=CCCCCOC(=O)C)CCCC MCULE-1642216097 [0,0,0,0,0,0|2,0,2]=4 2 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,0,0,0,0,0|2,0,0]=2 3 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,0,0,0,0,0|1,0,2]=3 5 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,0,0,0,0,0|1,0,2]=3 6 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [0,0,0,0,0,0|3,0,1]=4 9 B13R0.54 CCCC/C=C\CCCCOC(=O)C MCULE-9938541488 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,0,0,0,0,0|1,0,2]=3 11 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,0,0,0,0,0|1,0,2]=3 12 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,0,0,0,0,0|1,0,2]=3 14 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,0,0,0,0,0|1,0,2]=3 15 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,0,0,0,0,0|2,0,0]=2 16 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,0,0,0,0,0|1,0,0]=1 17 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,0,0,0,0,0|0,0,0]=0 18 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,0,0,0,0,0|1,0,0]=1 19 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,0,0,0,0,0|1,0,0]=1 20 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,0,0,0,0,0|1,0,0]=1 21 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,0,0,0,0,0|1,0,0]=1 22 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,0,0,0,0,0|1,0,0]=1 23 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,0,0,0,0,0|1,0,0]=1 24 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [0,0,0,0,0,0|2,0,1]=3 25 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,0,0,0,0,0|1,0,2]=3 26 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [0,0,0,0,0,0|2,0,0]=2 27 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [0,0,0,0,0,0|3,0,0]=3 28 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,0,0,0,0,0|2,0,0]=2 29 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,0,0,0,0,0|2,1,0]=3 30 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,0,0,0,0,0|2,0,0]=2 31 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,0,0,0,0,0|1,0,0]=1 32 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,0,0,0,0,0|2,1,0]=3 33 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,0,0,0,0,0|2,1,0]=3 34 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,0,0,0,0,0|2,0,0]=2 35 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,0,0,0,0,0|2,0,0]=2 36 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,0,0,0,0,0|2,0,0]=2 37 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,0,0,0,0,0|2,0,0]=2 38 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,0,0,0,0,0|2,0,0]=2 39 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,0,0,0,0,0|4,0,0]=4 40 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,0,0,0,0,0|2,0,0]=2 41 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [0,0,0,0,0,0|4,0,0]=4 42 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [0,0,0,0,0,0|4,0,0]=4 43 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,0,0,0,0,0|2,0,0]=2 44 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,0,0,0,0,0|2,0,0]=2 45 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,0,0,0,0,0|2,0,0]=2 46 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,0,0,0,0,0|1,0,0]=1 47 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [0,0,0,0,0,0|2,0,2]=4 48 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,0,0,0,0,0|2,0,0]=2 50 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,0,0,0,0,0|2,0,0]=2 51 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,0,0,0,0,0|2,0,0]=2 52 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,0,0,0,0,0|2,0,0]=2 53 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,0,0,0,0,0|3,0,0]=3 54 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [0,0,0,0,0,0|3,0,0]=3 55 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,0,0,0,0,0|3,0,0]=3 56 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [1,0,0,0,0,0|1,1,1]=4 57 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [1,0,0,0,0,0|1,0,1]=3 58 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [1,0,0,0,0,0|2,0,1]=4 59 B12R0.5 C=CCCCCCCCCCC#N MCULE-4908683971 [1,0,0,0,0,0|2,0,1]=4 60 B12R0.5 C=CCCCCCCCCCC=C MCULE-6862008178 [1,0,0,0,0,0|1,0,2]=4 61 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [1,0,0,0,0,0|0,0,2]=3 62 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [1,0,0,0,0,0|2,0,0]=3 63 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [1,0,0,0,0,0|1,0,0]=2 64 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [1,0,0,0,0,0|2,0,0]=3 65 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [1,0,0,0,0,0|3,0,0]=4 66 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [1,0,0,0,0,0|2,0,0]=3 67 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [1,0,0,0,0,0|2,0,0]=3 68 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [1,0,0,0,0,0|0,0,2]=3 69 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [1,0,0,0,0,0|0,1,1]=3 70 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [1,0,0,0,0,0|0,0,2]=3 71 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [1,0,0,0,0,0|1,0,1]=3 72 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [1,0,0,0,0,0|0,0,0]=1 73 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [1,0,0,0,0,0|0,1,1]=3 74 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [1,0,0,0,0,0|1,0,1]=3 75 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [1,0,0,0,0,0|0,0,1]=2 76 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [1,0,0,0,0,0|0,1,1]=3 77 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [1,0,0,0,0,0|0,1,1]=3 78 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [1,0,0,0,0,0|1,0,1]=3 79 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [1,0,0,0,0,0|1,0,1]=3 80 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [1,0,0,0,0,0|1,0,1]=3 81 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [1,0,0,0,0,0|1,0,1]=3 82 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [1,0,0,0,0,0|1,0,1]=3 83 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [1,0,0,0,0,0|0,0,2]=3 84 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [1,0,0,0,0,0|0,0,2]=3 85 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [1,0,0,0,0,0|0,1,1]=3 86 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [1,0,0,0,0,0|2,0,0]=3 87 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [1,0,0,0,0,0|2,0,0]=3 88 B12R0.5 CCCCCCCCCCN=C=S MCULE-4799395674 [1,0,0,0,0,0|1,1,1]=4 89 B12R0.5 CCCCCCCCCCN=N#N MCULE-3752897707 [1,0,0,0,0,0|3,0,0]=4 90 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [1,0,0,0,0,0|1,0,0]=2 91 B12R0.5 CCCCCCCCCCSC#N MCULE-1909270846 [1,0,0,0,0,0|2,0,1]=4 92 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [1,0,0,0,0,0|2,0,1]=4 93 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [1,0,0,0,0,0|1,0,2]=4 94 B12R0.5 CCCCCCCCNCCC#N MCULE-1909140913 [1,0,0,0,0,0|2,0,1]=4 95 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [1,0,0,0,0,0|2,0,1]=4 96 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [1,0,0,0,0,0|2,0,1]=4 97 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [1,0,0,0,0,0|3,0,0]=4 98 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [1,0,0,0,0,0|2,0,1]=4 99 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [1,0,0,0,0,0|3,0,0]=4 100 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [1,0,0,0,0,0|3,0,0]=4 101 B12R0.5 CCCCCCCCSCCNC MCULE-1591454214 [1,0,0,0,0,0|3,0,0]=4 102 B12R0.5 CCCCCCCCSCCNC MCULE-9041733565 [1,0,0,0,0,0|3,0,0]=4 103 B12R0.5 CCCCCCCNCCCNC MCULE-3143160534 [1,0,0,0,0,0|3,0,0]=4 104 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [1,0,0,0,0,0|1,0,0]=2 105 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [1,0,0,0,0,0|1,0,2]=4 106 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [1,0,0,0,0,0|2,0,1]=4 107 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [1,0,0,0,0,0|2,0,1]=4 108 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [1,0,0,0,0,0|2,0,1]=4 109 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [1,0,0,0,0,0|2,0,1]=4 110 B12R0.5 CCCCCCOCCOCCCl MCULE-9978237089 [1,0,0,0,0,0|2,0,1]=4 111 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [1,0,0,0,0,0|2,0,1]=4 112 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [1,0,0,0,0,0|1,0,2]=4 113 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [1,0,0,0,0,0|1,1,1]=4 114 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [1,0,0,0,0,0|1,0,2]=4 115 B12R0.5 ClCCCCCOCCCCCCl MCULE-6237389376 [1,0,0,0,0,0|2,0,1]=4 116 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [1,0,0,0,0,0|1,1,1]=4 117 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [1,0,0,0,0,0|2,0,1]=4 118 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [1,0,0,0,0,0|1,0,2]=4 119 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [1,0,0,0,0,0|1,1,1]=4 120 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [1,0,0,0,0,0|1,1,1]=4 121 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [1,0,0,0,0,0|1,0,0]=2 122 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [1,0,0,0,0,0|1,0,2]=4 123 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [1,0,0,0,0,0|1,0,2]=4 124 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [1,0,0,0,0,0|1,0,2]=4 125 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [1,0,0,0,0,0|1,1,1]=4 126 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [1,0,0,0,0,0|2,0,1]=4 127 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [1,0,0,0,0,0|0,0,2]=3 128 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,0,0,0,0,0|1,0,2]=4 129 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [1,0,0,0,0,0|1,1,0]=3 130 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,0,0,0,0,0|2,0,0]=3 131 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [1,0,0,0,0,0|1,0,0]=2 132 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [1,0,0,0,0,0|1,0,2]=4 133 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [1,0,0,0,0,0|0,0,2]=3 134 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [1,0,0,0,0,0|1,0,2]=4 135 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,0,0,0,0,0|1,0,2]=4 136 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [1,0,0,0,0,0|1,0,2]=4 137 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [1,0,0,0,0,0|1,0,2]=4 138 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,0,0,0,0,0|1,0,2]=4 139 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [1,0,0,0,0,0|3,0,0]=4 140 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [1,0,0,0,0,0|1,0,2]=4 141 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [1,0,0,0,0,0|1,0,2]=4 142 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [1,0,0,0,0,0|1,0,2]=4 143 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [1,0,0,0,0,0|2,0,1]=4 144 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,0,0,0,0,0|1,0,0]=2 145 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,0,0,0,0,0|0,0,0]=1 146 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,0,0,0,0,0|1,0,0]=2 147 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,0,0,0,0,0|1,0,0]=2 148 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,0,0,0,0,0|2,0,1]=4 149 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,0,0,0,0,0|1,0,2]=4 150 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,0,0,0,0,0|2,0,0]=3 151 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,0,0,0,0,0|3,0,0]=4 152 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,0,0,0,0,0|2,0,0]=3 153 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [1,0,0,0,0,0|2,0,0]=3 154 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [1,0,0,0,0,0|1,0,0]=2 155 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [1,0,0,0,0,0|2,1,0]=4 156 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [1,0,0,0,0,0|2,1,0]=4 157 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [1,0,0,0,0,0|3,0,0]=4 158 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [1,0,0,0,0,0|3,0,0]=4 159 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,0,0,0,0,0|2,0,0]=3 160 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [1,0,0,0,0,0|2,0,0]=3 161 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,0,0,0,0,0|2,0,0]=3 162 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,0,0,0,0,0|2,0,0]=3 163 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,0,0,0,0,0|2,0,0]=3 164 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [1,0,0,0,0,0|2,0,0]=3 165 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,0,0,0,0,0|2,0,0]=3 166 B12R0.234 COCCOCCOCCC(=O)Cl MCULE-4397360863 [1,0,0,0,0,0|3,0,0]=4 167 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,0,0,0,0,0|2,0,1]=4 168 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,0,0,0,0,0|2,0,0]=3 169 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,0,0,0,0,0|2,0,0]=3 170 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,0,0,0,0,0|2,0,0]=3 171 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,0,0,0,0,0|2,0,0]=3 172 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [1,0,0,0,0,0|3,0,0]=4 173 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,0,0,0,0,0|3,0,0]=4 174 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,1,0,0,0,0|1,0,1]=3 175 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [0,1,0,0,0,0|2,0,1]=4 176 B14R0.2 CCCCCCCC(=O)NCCC(=O)[O-] MCULE-3856683125 [0,1,0,0,0,0|2,0,1]=4 177 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [0,1,0,0,0,0|1,0,0]=2 178 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,1,0,0,0,0|1,0,1]=3 179 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,1,0,0,0,0|2,0,1]=4 180 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [0,1,0,0,0,0|2,0,1]=4 181 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [0,1,0,0,0,0|1,0,2]=4 182 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [0,1,0,0,0,0|1,0,2]=4 183 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,1,0,0,0,0|1,0,0]=2 184 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,1,0,0,0,0|1,0,0]=2 185 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [0,1,0,0,0,0|2,0,1]=4 186 B14R0.88 CCCCCCCCCCCC(C)(C)S MCULE-9956928254 [0,1,0,0,0,0|1,1,1]=4 187 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [0,1,0,0,0,0|2,0,0]=3 188 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,1,0,0,0,0|2,0,0]=3 189 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,1,0,0,0,0|2,0,0]=3 190 B14R0.88 CCCCCCCCCCC[N+](C)(C)[O-] MCULE-7281407013 [0,1,0,0,0,0|2,0,1]=4 191 B14R0.88 CCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-1348971560 [0,1,0,0,0,0|1,1,0]=3 192 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [0,1,0,0,0,0|3,0,0]=4 193 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,1,0,0,0,0|3,0,0]=4 194 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,1,0,0,0,0|3,0,0]=4 195 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,1,0,0,0,0|3,0,0]=4 196 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-5353498495 [0,1,0,0,0,0|3,0,0]=4 197 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-8370982773 [0,1,0,0,0,0|3,0,0]=4 198 B14R0.88 O=P(O)(O)CCCCCCCCCCBr MCULE-8137402085 [0,1,0,0,0,0|3,0,0]=4 199 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [0,1,0,0,0,0|1,0,1]=3 200 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [0,1,0,0,0,0|1,0,0]=2 201 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,1,0,0,0,0|1,0,1]=3 202 B14R0.231 CCCCCC(=O)NCCCCC(=O)O MCULE-9650195842 [0,1,0,0,0,0|2,0,1]=4 203 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [0,1,0,0,0,0|1,0,0]=2 204 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,1,0,0,0,0|1,0,1]=3 205 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,1,0,0,0,0|1,0,0]=2 206 B14R0.305 COC(=O)CCCCCCCCC(=O)Cl MCULE-2877186513 [0,1,0,0,0,0|1,0,1]=3 207 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [0,1,0,0,0,0|2,0,1]=4 208 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,1,0,0,0,0|2,0,0]=3 209 B14R0.337 C#CC(O)CCCCCCCCCCC MCULE-1894988558 [0,1,0,0,0,0|1,0,2]=4 210 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [0,1,0,0,0,0|1,0,2]=4 211 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [0,1,0,0,0,0|2,0,0]=3 212 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [0,1,0,0,0,0|1,0,2]=4 213 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [0,1,0,0,0,0|1,0,1]=3 214 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [0,1,0,0,0,0|1,0,1]=3 215 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [0,1,0,0,0,0|1,0,0]=2 216 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [0,1,0,0,0,0|1,0,0]=2 217 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [0,1,0,0,0,0|1,0,0]=2 218 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [0,1,0,0,0,0|1,0,0]=2 219 B14R0.337 CCCCCCCCCCCC(Cl)CCl MCULE-9094665356 [0,1,0,0,0,0|1,0,1]=3 220 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [0,1,0,0,0,0|1,0,2]=4 221 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [0,1,0,0,0,0|1,0,2]=4 222 B14R0.337 CCCCCCCCCCCN(C)CC MCULE-3111741726 [0,1,0,0,0,0|3,0,0]=4 223 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [0,1,0,0,0,0|1,1,0]=3 224 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [0,1,0,0,0,0|1,0,0]=2 225 B14R0.337 CCCCCCCCCCNC(=S)NN MCULE-3954684394 [0,1,0,0,0,0|2,1,0]=4 226 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [0,1,0,0,0,0|2,0,0]=3 227 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [0,1,0,0,0,0|1,0,0]=2 228 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [0,1,0,0,0,0|2,0,0]=3 229 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [0,1,0,0,0,0|2,0,0]=3 230 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [0,1,0,0,0,0|2,0,0]=3 231 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [0,1,0,0,0,0|2,0,0]=3 232 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [0,1,0,0,0,0|2,0,0]=3 233 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [0,1,0,0,0,0|2,0,0]=3 234 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [0,1,0,0,0,0|2,0,0]=3 235 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [0,1,0,0,0,0|1,0,0]=2 236 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [0,1,0,0,0,0|1,0,0]=2 237 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [0,1,0,0,0,0|1,0,0]=2 238 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [0,1,0,0,0,0|1,0,0]=2 239 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [0,1,0,0,0,0|1,0,0]=2 240 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [0,1,0,0,0,0|1,0,0]=2 241 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [0,1,0,0,0,0|1,0,0]=2 242 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [0,1,0,0,0,0|1,0,0]=2 243 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O MCULE-6406203156 [0,1,0,0,0,0|3,0,0]=4 244 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,1,0,0,0,0|1,0,1]=3 245 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [0,1,0,0,0,0|1,0,0]=2 246 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [0,1,0,0,0,0|1,0,0]=2 247 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [0,1,0,0,0,0|1,0,0]=2 248 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [0,1,0,0,0,0|2,0,0]=3 249 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [0,1,0,0,0,0|2,0,0]=3 250 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [0,1,0,0,0,0|2,0,1]=4 251 B14R0.391 CCCCCC/C=C\CC(O)CC(=O)O MCULE-2404322318 [0,1,0,0,0,0|1,0,2]=4 252 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [0,1,0,0,0,0|1,0,0]=2 253 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [0,1,0,0,0,0|1,0,0]=2 254 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [0,1,0,0,0,0|1,0,0]=2 255 B14R0.391 CCCCCCCCNC(=O)CC(=O)O MCULE-5427245082 [0,1,0,0,0,0|2,0,1]=4 256 B14R0.391 CCCCCCCCOC(=O)CC(=O)C MCULE-8441732366 [0,1,0,0,0,0|2,0,1]=4 257 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,1,0,0,0,0|1,0,1]=3 258 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,1,0,0,0,0|2,0,0]=3 259 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,1,0,0,0,0|2,0,1]=4 260 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,1,0,0,0,0|1,0,1]=3 261 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,1,0,0,0,0|1,0,2]=4 262 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,1,0,0,0,0|1,0,1]=3 263 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,1,0,0,0,0|1,0,1]=3 264 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [0,1,0,0,0,0|2,0,1]=4 265 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,1,0,0,0,0|1,0,0]=2 266 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,1,0,0,0,0|1,0,0]=2 267 B14R0.394 CCCCCCCCCCCCC(C)C MCULE-7317925183 [0,1,0,0,0,0|2,0,1]=4 268 B14R0.394 CCCCCCCCCCCCC(C)I MCULE-9658991496 [0,1,0,0,0,0|1,1,1]=4 269 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [0,1,0,0,0,0|1,0,2]=4 270 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,1,0,0,0,0|2,0,0]=3 271 B14R0.394 CCCCCCCCCCCCN(C)C MCULE-7234022591 [0,1,0,0,0,0|3,0,0]=4 272 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,1,0,0,0,0|2,0,0]=3 273 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,1,0,0,0,0|1,0,0]=2 274 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,1,0,0,0,0|1,0,0]=2 275 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,1,0,0,0,0|1,0,0]=2 276 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,1,0,0,0,0|2,0,0]=3 277 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-4393321218 [0,1,0,0,0,0|3,0,0]=4 278 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-8799034938 [0,1,0,0,0,0|3,0,0]=4 279 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,1,0,0,0,0|1,0,1]=3 280 B14R0.394 N#N=NCCCCCCCCCC(=O)O MCULE-9886282931 [0,1,0,0,0,0|3,0,0]=4 281 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,1,0,0,0,0|1,0,0]=2 282 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,1,0,0,0,0|1,0,0]=2 283 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,1,0,0,0,0|1,0,0]=2 284 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,1,0,0,0,0|1,0,0]=2 285 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,1,0,0,0,0|3,0,0]=4 286 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,1,0,0,0,0|2,0,0]=3 287 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC MCULE-8328860853 [0,1,0,0,0,0|3,0,0]=4 288 B14R0.432 CCOC(=O)CCCCCCCC(=O)C MCULE-8382585898 [0,1,0,0,0,0|2,0,1]=4 289 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [0,1,0,0,0,0|1,0,0]=2 290 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,0,0,1,0,0|1,0,0]=2 291 B14R1.26 N#CCCCCCC1CCCC(=O)C1 MCULE-8205747806 [0,0,0,1,0,0|2,0,1]=4 292 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,0,0,1,0,0|1,0,2]=4 293 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,0,0,1,0,0|1,0,0]=2 294 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,0,0,1,0,0|1,0,0]=2 295 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [0,0,0,1,0,0|2,0,0]=3 296 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [0,0,0,1,0,0|2,0,0]=3 297 B14R1.221 CCCCCCCCCCCC1CO1 MCULE-9201050634 [0,0,0,1,0,0|1,0,2]=4 298 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [0,0,0,1,0,0|2,0,0]=3 299 B14R1.422 CC(=O)OCCCCC1CCCCN1 MCULE-5119546001 [0,0,0,1,0,0|3,0,0]=4 300 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [0,0,0,1,0,0|1,0,0]=2 301 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [0,0,0,1,0,0|2,0,0]=3 302 B14R1.422 O=C(O)CCCCCN1CCOCC1 MCULE-6803434014 [0,0,0,1,0,0|3,0,0]=4 303 B14R1.422 O=C(O)CCCCOC1CCCCO1 MCULE-9542624487 [0,0,0,1,0,0|3,0,0]=4 304 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,0,0,1,0,0|1,0,0]=2 305 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [0,0,0,1,0,0|1,0,0]=2 306 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,0,0,1,0,0|1,0,0]=2 307 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [0,0,0,1,0,0|1,0,0]=2 308 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [0,0,0,1,0,0|1,0,0]=2 309 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,0,0,1,0,0|1,0,2]=4 310 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,0,0,1,0,0|1,0,0]=2 311 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [2,0,0,0,0,0|1,1,0]=4 312 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [2,0,0,0,0,0|0,0,2]=4 313 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [2,0,0,0,0,0|0,0,2]=4 314 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [2,0,0,0,0,0|1,0,1]=4 315 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [2,0,0,0,0,0|0,0,1]=3 316 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [2,0,0,0,0,0|0,0,2]=4 317 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [2,0,0,0,0,0|1,0,1]=4 318 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [2,0,0,0,0,0|1,0,1]=4 319 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [2,0,0,0,0,0|1,0,1]=4 320 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [2,0,0,0,0,0|0,0,2]=4 321 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [2,0,0,0,0,0|0,0,2]=4 322 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [2,0,0,0,0,0|1,0,1]=4 323 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [2,0,0,0,0,0|0,0,0]=2 324 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [2,0,0,0,0,0|0,1,0]=3 325 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [2,0,0,0,0,0|0,0,1]=3 326 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [2,0,0,0,0,0|0,0,0]=2 327 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [2,0,0,0,0,0|0,1,0]=3 328 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [2,0,0,0,0,0|1,0,0]=3 329 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [2,0,0,0,0,0|0,0,1]=3 330 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [2,0,0,0,0,0|0,1,0]=3 331 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [2,0,0,0,0,0|1,0,1]=4 332 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [2,0,0,0,0,0|1,0,1]=4 333 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [2,0,0,0,0,0|1,0,1]=4 334 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [2,0,0,0,0,0|2,0,0]=4 335 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [2,0,0,0,0,0|2,0,0]=4 336 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [2,0,0,0,0,0|1,0,1]=4 337 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [2,0,0,0,0,0|1,0,1]=4 338 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [2,0,0,0,0,0|1,0,0]=3 339 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [2,0,0,0,0,0|1,0,1]=4 340 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [2,0,0,0,0,0|1,0,1]=4 341 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [2,0,0,0,0,0|2,0,0]=4 342 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [2,0,0,0,0,0|1,0,1]=4 343 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [2,0,0,0,0,0|1,0,0]=3 344 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [2,0,0,0,0,0|2,0,0]=4 345 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [2,0,0,0,0,0|2,0,0]=4 346 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [2,0,0,0,0,0|1,0,1]=4 347 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [2,0,0,0,0,0|2,0,0]=4 348 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [2,0,0,0,0,0|1,0,1]=4 349 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [2,0,0,0,0,0|1,1,0]=4 350 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [2,0,0,0,0,0|1,0,1]=4 351 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [2,0,0,0,0,0|2,0,0]=4 352 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [2,0,0,0,0,0|1,0,1]=4 353 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [2,0,0,0,0,0|1,0,0]=3 354 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [2,0,0,0,0,0|1,0,0]=3 355 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [2,0,0,0,0,0|1,0,1]=4 356 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [2,0,0,0,0,0|1,0,0]=3 357 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [2,0,0,0,0,0|1,1,0]=4 358 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [2,0,0,0,0,0|2,0,0]=4 359 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [2,0,0,0,0,0|1,0,1]=4 360 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [2,0,0,0,0,0|1,0,0]=3 361 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [2,0,0,0,0,0|1,1,0]=4 362 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [2,0,0,0,0,0|1,0,0]=3 363 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [2,0,0,0,0,0|1,1,0]=4 364 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [2,0,0,0,0,0|1,1,0]=4 365 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [2,0,0,0,0,0|1,1,0]=4 366 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [2,0,0,0,0,0|1,1,0]=4 367 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [2,0,0,0,0,0|2,0,0]=4 368 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [2,0,0,0,0,0|1,0,1]=4 369 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [2,0,0,0,0,0|1,0,0]=3 370 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [2,0,0,0,0,0|1,0,1]=4 371 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [2,0,0,0,0,0|1,0,0]=3 372 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [2,0,0,0,0,0|1,0,1]=4 373 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [2,0,0,0,0,0|1,0,1]=4 374 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [2,0,0,0,0,0|1,1,0]=4 375 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [2,0,0,0,0,0|1,0,1]=4 376 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [2,0,0,0,0,0|1,1,0]=4 377 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [2,0,0,0,0,0|2,0,0]=4 378 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [2,0,0,0,0,0|1,0,0]=3 379 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [2,0,0,0,0,0|2,0,0]=4 380 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [2,0,0,0,0,0|2,0,0]=4 381 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [2,0,0,0,0,0|2,0,0]=4 382 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [2,0,0,0,0,0|1,0,0]=3 383 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [2,0,0,0,0,0|0,0,0]=2 384 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [2,0,0,0,0,0|0,1,0]=3 385 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [2,0,0,0,0,0|1,0,0]=3 386 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [2,0,0,0,0,0|1,0,0]=3 387 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [2,0,0,0,0,0|1,0,0]=3 388 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [2,0,0,0,0,0|1,0,0]=3 389 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [2,0,0,0,0,0|1,0,0]=3 390 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [2,0,0,0,0,0|2,0,0]=4 391 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [2,0,0,0,0,0|2,0,0]=4 392 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [2,0,0,0,0,0|2,0,0]=4 393 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [2,0,0,0,0,0|1,0,0]=3 394 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [2,0,0,0,0,0|2,0,0]=4 395 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [2,0,0,0,0,0|2,0,0]=4 396 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [2,0,0,0,0,0|2,0,0]=4 397 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [2,0,0,0,0,0|2,0,0]=4 398 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [2,0,0,0,0,0|2,0,0]=4 399 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [2,0,0,0,0,0|2,0,0]=4 400 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [2,0,0,0,0,0|2,0,0]=4 401 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [2,0,0,0,0,0|2,0,0]=4 402 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [2,0,0,0,0,0|2,0,0]=4 403 B13R0.2 CCCCCCCCCC(C)CCBr MCULE-9823733593 [1,1,0,0,0,0|0,1,1]=4 404 B13R0.2 CCCCCCCCCC(O)CCO MCULE-6275560025 [1,1,0,0,0,0|0,0,2]=4 405 B13R0.66 CCCCCCCCC(O)CCCC MCULE-2796916892 [1,1,0,0,0,0|1,0,1]=4 406 B13R0.147 CCCCCCCCCCC(Br)CBr MCULE-9794028276 [1,1,0,0,0,0|0,1,1]=4 407 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [1,1,0,0,0,0|0,0,0]=2 408 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [1,1,0,0,0,0|0,0,2]=4 409 B13R0.147 CCCCCCCCCCC(Cl)CCl MCULE-2606330649 [1,1,0,0,0,0|0,0,1]=3 410 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [1,1,0,0,0,0|1,0,1]=4 411 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [1,1,0,0,0,0|0,0,2]=4 412 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [1,1,0,0,0,0|0,0,2]=4 413 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [1,1,0,0,0,0|0,0,2]=4 414 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [1,1,0,0,0,0|0,0,2]=4 415 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [1,1,0,0,0,0|0,0,2]=4 416 B13R0.147 CCCCCCCCOCC(O)CCl MCULE-3663457425 [1,1,0,0,0,0|1,0,1]=4 417 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [1,1,0,0,0,0|1,0,1]=4 418 B13R0.165 CCCCCCC(C)CCCCCC MCULE-2236189519 [1,1,0,0,0,0|1,0,1]=4 419 B13R0.165 CCCCCCC(N)CCCCCC MCULE-2802579601 [1,1,0,0,0,0|1,0,1]=4 420 B13R0.165 CCCCCCC(O)CCCCCC MCULE-2797114957 [1,1,0,0,0,0|1,0,1]=4 421 B13R0.336 BrCCCCCCCCCCCCBr MCULE-6672891675 [1,1,0,0,0,0|0,1,1]=4 422 B13R0.336 C#CCCCCCCCCCCCC MCULE-4146985591 [1,1,0,0,0,0|1,0,1]=4 423 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [1,1,0,0,0,0|1,0,1]=4 424 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [1,1,0,0,0,0|1,0,1]=4 425 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [1,1,0,0,0,0|1,0,0]=3 426 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [1,1,0,0,0,0|1,0,0]=3 427 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [1,1,0,0,0,0|1,0,0]=3 428 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [1,1,0,0,0,0|1,0,0]=3 429 B13R0.336 CCCCCCCCCCC=CC#N MCULE-5311798650 [1,1,0,0,0,0|1,0,1]=4 430 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [1,1,0,0,0,0|0,0,2]=4 431 B13R0.336 CCCCCCCCCCCCC#N MCULE-2240447839 [1,1,0,0,0,0|1,0,1]=4 432 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [1,1,0,0,0,0|0,0,0]=2 433 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [1,1,0,0,0,0|0,1,1]=4 434 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [1,1,0,0,0,0|1,0,1]=4 435 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [1,1,0,0,0,0|0,0,1]=3 436 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [1,1,0,0,0,0|0,1,1]=4 437 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [1,1,0,0,0,0|1,0,1]=4 438 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [1,1,0,0,0,0|0,0,2]=4 439 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [1,1,0,0,0,0|1,0,1]=4 440 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [1,1,0,0,0,0|0,0,2]=4 441 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [1,1,0,0,0,0|0,1,1]=4 442 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [1,1,0,0,0,0|1,0,1]=4 443 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [1,1,0,0,0,0|1,0,1]=4 444 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [1,1,0,0,0,0|0,0,2]=4 445 B13R0.336 CCCCCCCCCCOCCCl MCULE-1526089088 [1,1,0,0,0,0|0,0,1]=3 446 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [1,1,0,0,0,0|0,0,2]=4 447 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [1,1,0,0,0,0|0,0,2]=4 448 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-2529658193 [1,1,0,0,0,0|0,0,1]=3 449 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-5824513113 [1,1,0,0,0,0|0,0,1]=3 450 B13R0.336 CCCCCCCCCNCCC#N MCULE-7229403210 [1,1,0,0,0,0|1,0,1]=4 451 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [1,1,0,0,0,0|1,0,1]=4 452 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [1,1,0,0,0,0|1,0,1]=4 453 B13R0.336 CCCCCCCOCCOCCCl MCULE-7165053997 [1,1,0,0,0,0|1,0,1]=4 454 B13R0.336 CCCCCCNCCCCCCN MCULE-6843159625 [1,1,0,0,0,0|1,0,1]=4 455 B13R0.336 CCCOCCOCCCCCCCl MCULE-3105139015 [1,1,0,0,0,0|1,0,1]=4 456 B13R0.336 ClCCCCCCCCCCCCCl MCULE-9606409213 [1,1,0,0,0,0|0,0,1]=3 457 B13R0.336 NCCCCCCCCCCCCBr MCULE-3944006044 [1,1,0,0,0,0|0,1,1]=4 458 B13R0.336 NCCCCCCCCCCCCBr MCULE-9552866350 [1,1,0,0,0,0|0,1,1]=4 459 B13R0.336 NCCCCCCCCCCCCN MCULE-7545047614 [1,1,0,0,0,0|1,0,1]=4 460 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [1,1,0,0,0,0|0,0,2]=4 461 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [1,1,0,0,0,0|0,0,1]=3 462 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [1,1,0,0,0,0|0,0,0]=2 463 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [1,1,0,0,0,0|0,0,2]=4 464 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [1,1,0,0,0,0|0,0,2]=4 465 B13R0.336 OCCCCCOCCCCCCCl MCULE-1987336489 [1,1,0,0,0,0|1,0,1]=4 466 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [1,1,0,0,0,0|1,0,1]=4 467 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [1,1,0,0,0,0|1,0,0]=3 468 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [1,1,0,0,0,0|1,0,1]=4 469 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [1,1,0,0,0,0|1,0,1]=4 470 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [1,1,0,0,0,0|1,0,0]=3 471 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [1,1,0,0,0,0|1,0,0]=3 472 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [1,1,0,0,0,0|1,0,0]=3 473 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [1,1,0,0,0,0|1,0,0]=3 474 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [1,1,0,0,0,0|1,0,1]=4 475 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [1,1,0,0,0,0|1,0,0]=3 476 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [1,1,0,0,0,0|1,0,0]=3 477 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [1,1,0,0,0,0|1,0,1]=4 478 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [1,1,0,0,0,0|1,0,1]=4 479 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [1,1,0,0,0,0|1,0,0]=3 480 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [1,1,0,0,0,0|1,0,0]=3 481 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl MCULE-1861027504 [1,1,0,0,0,0|1,0,1]=4 482 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [1,1,0,0,0,0|1,0,1]=4 483 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [1,1,0,0,0,0|1,0,0]=3 484 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [1,1,0,0,0,0|2,0,0]=4 485 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [1,1,0,0,0,0|2,0,0]=4 486 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [1,1,0,0,0,0|1,0,0]=3 487 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [1,1,0,0,0,0|2,0,0]=4 488 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [1,1,0,0,0,0|2,0,0]=4 489 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [1,1,0,0,0,0|2,0,0]=4 490 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl MCULE-6793568340 [1,1,0,0,0,0|1,1,0]=4 491 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl MCULE-9569407905 [1,1,0,0,0,0|1,1,0]=4 492 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-2592527518 [1,1,0,0,0,0|1,1,0]=4 493 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [1,1,0,0,0,0|2,0,0]=4 494 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [1,1,0,0,0,0|2,0,0]=4 495 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [1,1,0,0,0,0|2,0,0]=4 496 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [1,1,0,0,0,0|1,0,0]=3 497 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [1,1,0,0,0,0|1,0,0]=3 498 B15R0.67 CCCCCCCC(C)CC(C)CC(=O)O MCULE-2051757289 [0,2,0,0,0,0|1,0,0]=3 499 B15R0.247 CCC(C)CCCCCCCCCC(=O)O MCULE-8493403779 [0,2,0,0,0,0|1,0,0]=3 500 B15R0.247 COC(=O)CCCCCCCCCC(=O)O MCULE-6347713742 [0,2,0,0,0,0|1,0,1]=4 501 B15R0.247 COC(=O)CCCCCCCCCC(C)C MCULE-6194864064 [0,2,0,0,0,0|1,0,0]=3 502 B15R0.2662 CS(=O)(=O)CCCCCCCCCC(=O)N MCULE-1954720778 [0,2,0,0,0,0|2,0,0]=4 503 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [0,2,0,0,0,0|2,0,0]=4 504 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [0,2,0,0,0,0|2,0,0]=4 505 B15R0.252 CCCCCCCCCCCCP(=O)(O)O MCULE-4386293340 [0,2,0,0,0,0|2,0,0]=4 506 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl MCULE-1364603769 [0,2,0,0,0,0|1,0,0]=3 507 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N MCULE-3829448149 [0,2,0,0,0,0|2,0,0]=4 508 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O MCULE-2609476147 [0,2,0,0,0,0|2,0,0]=4 509 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] MCULE-8547025937 [0,2,0,0,0,0|2,0,0]=4 510 B15R0.252 CCCCCCCCCCCC[Si](C)(C)Cl MCULE-9581783990 [0,2,0,0,0,0|1,1,0]=4 511 B15R0.252 CCCCCCCCCCCC[Si](C)(Cl)Cl MCULE-5553577966 [0,2,0,0,0,0|1,1,0]=4 512 B15R0.252 CCCCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-5884128275 [0,2,0,0,0,0|1,1,0]=4 513 B15R0.252 CCCCCCCCCCCOS(=O)(=O)C MCULE-1998014909 [0,2,0,0,0,0|2,0,0]=4 514 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7806053327 [0,2,0,0,0,0|2,0,0]=4 515 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-8045056638 [0,2,0,0,0,0|2,0,0]=4 516 B15R0.252 C[Si](C)(Cl)CCCCCCCCCCCBr MCULE-2187087709 [0,2,0,0,0,0|1,1,0]=4 517 B15R0.252 Cl[Si](Cl)(Cl)CCCCCCCCCCCBr MCULE-2550010086 [0,2,0,0,0,0|1,1,0]=4 518 B15R0.252 O=P(O)(O)CCCCCCCCCCCO MCULE-5197305558 [0,2,0,0,0,0|2,0,0]=4 519 B15R0.252 O=P(O)(O)CCCCCCCCCCCS MCULE-3559004156 [0,2,0,0,0,0|2,0,0]=4 520 B15R0.234 CCCCCC(=O)CCCCCCC(=O)O MCULE-6960063747 [0,2,0,0,0,0|1,0,0]=3 521 B15R0.234 CCCCCC(=O)NCCCCCC(=O)O MCULE-3148394051 [0,2,0,0,0,0|1,0,1]=4 522 B15R0.193 CCCCCCC(=O)CCCCCC(=O)O MCULE-2666903083 [0,2,0,0,0,0|1,0,0]=3 523 B15R0.193 CCCCCCC(O)CCCCCC(=O)O MCULE-9789061912 [0,2,0,0,0,0|1,0,0]=3 524 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C MCULE-9098653924 [0,2,0,0,0,0|1,0,1]=4 525 B15R0.111 CCOC(=O)CCCCCCCCC(=O)O MCULE-2428773430 [0,2,0,0,0,0|1,0,1]=4 526 B15R0.172 CCC(C)CCCCCCCCC(=O)OC MCULE-9269565507 [0,2,0,0,0,0|1,0,0]=3 527 B15R0.172 COC(=O)CCCCCCCCC(O)CO MCULE-4669620712 [0,2,0,0,0,0|2,0,0]=4 528 B15R0.81 CCCCCCCCCCCCC(=O)OC MCULE-6268749120 [0,2,0,0,0,0|1,0,0]=3 529 B15R0.81 CCCCCCCCCCCCC(C)C=O MCULE-8588140296 [0,2,0,0,0,0|1,0,1]=4 530 B15R0.81 CCCCCCCCCCCCC(Cl)CCl MCULE-4718867639 [0,2,0,0,0,0|1,0,1]=4 531 B15R0.81 COC(=O)CCCCCCCCCCC#N MCULE-3424341580 [0,2,0,0,0,0|1,0,1]=4 532 B15R0.81 COC(=O)CCCCCCCCCCCBr MCULE-7032517210 [0,2,0,0,0,0|1,0,0]=3 533 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-2097053515 [0,2,0,0,0,0|1,0,0]=3 534 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-6460421950 [0,2,0,0,0,0|1,0,0]=3 535 B15R0.84 CCCCCCCCCCCC(=O)N(C)C MCULE-4021126089 [0,2,0,0,0,0|1,0,0]=3 536 B15R0.84 CCCCCCCCCCCC(C)C(=O)O MCULE-5954675605 [0,2,0,0,0,0|1,0,0]=3 537 B15R0.324 CCCCCCCCCCC(O)C(=O)OC MCULE-7036030326 [0,2,0,0,0,0|1,0,0]=3 538 B15R0.324 CCCCCCCCNCC(C)C(=O)OC MCULE-3775062330 [0,2,0,0,0,0|2,0,0]=4 539 B15R0.366 C=COC(=O)CCCCCCCCCCC MCULE-4112696875 [0,2,0,0,0,0|1,0,0]=3 540 B15R0.366 CCCCCCCCCCCC(=O)NCC MCULE-4785540132 [0,2,0,0,0,0|1,0,0]=3 541 B15R0.366 CCCCCCCCCCCC(=O)OCC MCULE-6150658986 [0,2,0,0,0,0|1,0,0]=3 542 B15R0.366 CCCCCCCCCCCC(=O)OCCl MCULE-7622384571 [0,2,0,0,0,0|0,0,0]=2 543 B15R0.366 CCCCCCCCCCOC(=O)CC#N MCULE-3934095862 [0,2,0,0,0,0|2,0,0]=4 544 B15R0.366 CCCCCCCCNCCC(=O)OCC MCULE-7089762363 [0,2,0,0,0,0|2,0,0]=4 545 B15R0.366 CCCCCCCCSCCC(=O)OCC MCULE-2446708021 [0,2,0,0,0,0|2,0,0]=4 546 B15R0.366 CCOC(=O)CCCCCCCCCCBr MCULE-2219675372 [0,2,0,0,0,0|2,0,0]=4 547 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC MCULE-9878066874 [0,2,0,0,0,0|1,0,1]=4 548 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC MCULE-2317645071 [0,2,0,0,0,0|1,0,0]=3 549 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC MCULE-3527439520 [0,2,0,0,0,0|1,0,0]=3 550 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC MCULE-6956447346 [0,2,0,0,0,0|2,0,0]=4 551 B15R0.1626 CCCCCCCCCCC(C)(C)C(=O)O MCULE-7436631442 [0,2,0,0,0,0|1,0,0]=3 552 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O MCULE-9009743421 [0,2,0,0,0,0|1,0,1]=4 553 B15R0.88 CCCCCCCCNC(=O)CCC(=O)O MCULE-1258129661 [0,2,0,0,0,0|1,0,1]=4 554 B15R0.88 CCCCCCCCOC(=O)CCC(=O)O MCULE-4799004845 [0,2,0,0,0,0|1,0,1]=4 555 B15R0.2402 CCCCCCCCS(=O)(=O)CCC(=O)O MCULE-3499151684 [0,2,0,0,0,0|2,0,0]=4 556 B15R0.69 C=C(C)CC(C)CCCCCCCCCC MCULE-9735141948 [0,2,0,0,0,0|2,0,0]=4 557 B15R0.69 CCCCCCCCCCC(C)CC(=O)O MCULE-3804531187 [0,2,0,0,0,0|1,0,0]=3 558 B15R0.69 CCCCCCCCCCC(O)CC(=O)O MCULE-6799084773 [0,2,0,0,0,0|1,0,0]=3 559 B15R0.69 CCCCCCCCCOC(=O)CC(=O)C MCULE-7144219586 [0,2,0,0,0,0|1,0,1]=4 560 B15R0.129 CCCCCCCC(=O)NCCCC(=O)O MCULE-5369086350 [0,2,0,0,0,0|1,0,1]=4 561 B15R0.129 CCCCCCCC(O)CCCCC(=O)O MCULE-3086004434 [0,2,0,0,0,0|1,0,0]=3 562 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [0,2,0,0,0,0|1,0,0]=3 563 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [0,2,0,0,0,0|2,0,0]=4 564 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [0,2,0,0,0,0|1,0,0]=3 565 B15R0.164 CC/C=C\CCCCCCCCOC(=O)C MCULE-6483284858 [0,2,0,0,0,0|1,0,1]=4 566 B15R0.164 CCC/C=C/CCCCCCCOC(=O)C MCULE-2744234945 [0,2,0,0,0,0|1,0,1]=4 567 B15R0.164 CCC/C=C\CCCCCCCOC(=O)C MCULE-7735460500 [0,2,0,0,0,0|1,0,1]=4 568 B15R0.164 CCC=CCCCCCCCCOC(=O)C MCULE-2798849083 [0,2,0,0,0,0|1,0,1]=4 569 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [0,2,0,0,0,0|1,0,0]=3 570 B15R0.164 CCCC/C=C/CCCCCCOC(=O)C MCULE-2152851271 [0,2,0,0,0,0|1,0,1]=4 571 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [0,2,0,0,0,0|1,0,0]=3 572 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C MCULE-3266505572 [0,2,0,0,0,0|1,0,1]=4 573 B15R0.164 CCCC=CCCCCCCCOC(=O)C MCULE-3017538960 [0,2,0,0,0,0|1,0,1]=4 574 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [0,2,0,0,0,0|1,0,0]=3 575 B15R0.164 CCCCC=CCCCCCCOC(=O)C MCULE-4045769000 [0,2,0,0,0,0|1,0,1]=4 576 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [0,2,0,0,0,0|1,0,0]=3 577 B15R0.164 CCCCCCCCCCCC=C[N+](=O)[O-] MCULE-5913989728 [0,2,0,0,0,0|2,0,0]=4 578 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [0,2,0,0,0,0|1,0,0]=3 579 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [0,2,0,0,0,0|0,0,0]=2 580 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [0,2,0,0,0,0|1,0,0]=3 581 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [0,2,0,0,0,0|1,0,0]=3 582 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [0,2,0,0,0,0|1,0,0]=3 583 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [0,2,0,0,0,0|1,0,0]=3 584 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-3926449131 [0,2,0,0,0,0|2,0,0]=4 585 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-7807646855 [0,2,0,0,0,0|2,0,0]=4 586 B15R0.164 CCCCCCCCCCCCNC(=N)N MCULE-9225437546 [0,2,0,0,0,0|2,0,0]=4 587 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [0,2,0,0,0,0|1,0,0]=3 588 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [0,2,0,0,0,0|1,0,0]=3 589 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [0,2,0,0,0,0|1,0,0]=3 590 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [0,2,0,0,0,0|0,0,0]=2 591 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [0,2,0,0,0,0|1,1,0]=4 592 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [0,2,0,0,0,0|1,1,0]=4 593 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-1172582046 [0,2,0,0,0,0|2,0,0]=4 594 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-6001885776 [0,2,0,0,0,0|2,0,0]=4 595 B15R0.164 CCCCCCCCCCCCSC(=N)N MCULE-8803922937 [0,2,0,0,0,0|2,0,0]=4 596 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [0,2,0,0,0,0|1,0,0]=3 597 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [0,2,0,0,0,0|1,0,0]=3 598 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [0,2,0,0,0,0|1,0,0]=3 599 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [0,2,0,0,0,0|1,0,0]=3 600 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [0,2,0,0,0,0|1,0,0]=3 601 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [0,2,0,0,0,0|1,0,0]=3 602 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [0,2,0,0,0,0|1,0,0]=3 603 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [0,2,0,0,0,0|1,0,0]=3 604 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [0,2,0,0,0,0|1,0,0]=3 605 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [0,2,0,0,0,0|1,0,0]=3 606 B15R0.164 N#N=NCCCCCCCCCCC(=O)O MCULE-2957741079 [0,2,0,0,0,0|2,0,0]=4 607 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [0,2,0,0,0,0|1,0,0]=3 608 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [0,2,0,0,0,0|1,0,0]=3 609 B15R0.164 O=CNCCCCCCCCCCC(=O)O MCULE-3600316275 [0,2,0,0,0,0|1,0,1]=4 610 B15R0.164 O=N(=O)CCCCCCCCCCCCBr MCULE-4250276660 [0,2,0,0,0,0|2,0,0]=4 611 B15R0.164 O=N(=O)CCCCCCCCCCCCO MCULE-2840091029 [0,2,0,0,0,0|2,0,0]=4 612 B15R0.222 CC(=O)CCCCCCCCCCC(=O)O MCULE-8079792928 [0,2,0,0,0,0|1,0,0]=3 613 B15R0.222 CC(C)CCCCCCCCCCC(=O)O MCULE-7115259280 [0,2,0,0,0,0|1,0,0]=3 614 B15R0.222 CC(O)CCCCCCCCCCC(=O)O MCULE-4292387921 [0,2,0,0,0,0|1,0,0]=3 615 B15R0.222 CS(=O)CCCCCCCCCCS(=O)C MCULE-3759004866 [0,2,0,0,0,0|2,0,0]=4 616 B15R0.222 O=C(Cl)CCCCCCCCCCC(=O)Cl MCULE-1432423564 [0,2,0,0,0,0|0,0,1]=3 617 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-1359972581 [0,2,0,0,0,0|1,0,1]=4 618 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O MCULE-6168408668 [0,2,0,0,0,0|1,0,1]=4 619 B15R0.222 O=C([O-])CCCCCCCCCCC(=O)[O-] MCULE-7782088447 [0,2,0,0,0,0|1,0,1]=4 620 B13R1.28 CCCCCCCC1CCCCC1 MCULE-5431487347 [1,0,0,1,0,0|1,0,1]=4 621 B13R1.28 ClCCCCCCN1CCCCC1 MCULE-6200665496 [1,0,0,1,0,0|1,0,1]=4 622 B13R1.28 ClCCCCCCN1CCCCC1 MCULE-8895316075 [1,0,0,1,0,0|1,0,1]=4 623 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [1,0,0,1,0,0|1,0,0]=3 624 B13R1.279 NC1CCCCCCCCCCC1 MCULE-2290888255 [1,0,0,1,0,0|1,0,1]=4 625 B13R1.279 NC1CCCCCCCCCCC1 MCULE-4286699290 [1,0,0,1,0,0|1,0,1]=4 626 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [1,0,0,1,0,0|0,0,0]=2 627 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [1,0,0,1,0,0|1,0,0]=3 628 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [1,0,0,1,0,0|1,0,0]=3 629 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [1,0,0,1,0,0|0,0,2]=4 630 B13R1.279 SC1CCCCCCCCCCC1 MCULE-1071128546 [1,0,0,1,0,0|0,1,1]=4 631 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [1,0,0,1,0,0|0,0,0]=2 632 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [1,0,0,1,0,0|0,0,0]=2 633 B13R1.654 NCCCCCCN1CCCC1=O MCULE-3326150174 [1,0,0,1,0,0|2,0,0]=4 634 B13R1.659 BrCCCCCCCCCC1CC1 MCULE-7543642317 [1,0,0,1,0,0|0,1,1]=4 635 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [1,0,0,1,0,0|0,0,2]=4 636 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [1,0,0,1,0,0|0,0,2]=4 637 B13R1.1887 CCCCCCC1CCCCCN1 MCULE-6689022953 [1,0,0,1,0,0|1,0,1]=4 638 B13R1.2883 C1CCCCCCNCCCCC1 MCULE-9792674396 [1,0,0,1,0,0|1,0,1]=4 639 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [1,0,0,1,0,0|1,0,0]=3 640 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [1,0,0,1,0,0|1,0,0]=3 641 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [1,0,0,1,0,0|1,0,0]=3 642 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [1,0,0,1,0,0|2,0,0]=4 643 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [1,0,0,1,0,0|2,0,0]=4 644 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [1,0,0,1,0,0|2,0,0]=4 645 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [1,0,0,1,0,0|2,0,0]=4 646 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [1,0,0,1,0,0|2,0,0]=4 647 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [1,0,0,1,0,0|2,0,0]=4 648 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [1,0,0,1,0,0|2,0,0]=4 649 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [1,0,0,1,0,0|1,0,0]=3 650 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [1,0,0,1,0,0|2,0,0]=4 651 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [1,0,0,1,0,0|2,0,0]=4 652 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [1,0,0,1,0,0|2,0,0]=4 653 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [1,0,0,1,0,0|2,0,0]=4 654 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [1,0,0,1,0,0|2,0,0]=4 655 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [1,0,0,1,0,0|2,0,0]=4 656 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [1,0,0,1,0,0|2,0,0]=4 657 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [1,0,0,1,0,0|2,0,0]=4 658 B13R1.610 CCC1CCCCCC1NC(=O)C MCULE-1382386726 [1,0,0,1,0,0|2,0,0]=4 659 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [1,0,0,1,0,0|2,0,0]=4 660 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [1,0,0,1,0,0|2,0,0]=4 661 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [1,0,0,1,0,0|2,0,0]=4 662 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [1,0,0,1,0,0|2,0,0]=4 663 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [1,0,0,1,0,0|2,0,0]=4 664 B15R1.4160 C1(N[C@@H](CS1)C(=O)O)CCCCCCC MCULE-2610438681 [0,1,0,1,0,0|2,0,0]=4 665 B15R1.9080 O=C(O)CCCCCCC(=O)C1CCC1 MCULE-8446882016 [0,1,0,1,0,0|1,0,1]=4 666 B15R1.506 O=C(O)CCCCCC(=O)C1CCCC1 MCULE-6298023012 [0,1,0,1,0,0|1,0,1]=4 667 B15R1.11631 COC(=O)CCCCCCCCC1CO1 MCULE-1178066242 [0,1,0,1,0,0|2,0,0]=4 668 B15R1.12 CCCCCCCCC1CCC(=O)CC1 MCULE-3877943983 [0,1,0,1,0,0|1,0,0]=3 669 B15R1.962 O=C(CCl)NCCCOC1CCCCC1 MCULE-1163547747 [0,1,0,1,0,0|2,0,0]=4 670 B15R1.1052 CCCCC1CCCCC1OC(=O)CC MCULE-7582349458 [0,1,0,1,0,0|2,0,0]=4 671 B15R1.1091 CC1CCCCC1OCCNC(=O)CCl MCULE-7040058102 [0,1,0,1,0,0|2,0,0]=4 672 B15R1.6326 CCCCCCCCC1CC1C(=O)NO MCULE-9235033063 [0,1,0,1,0,0|1,0,0]=3 673 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [0,1,0,1,0,0|1,0,0]=3 674 B15R1.8153 O=C1C(CCCCCCCCCC1Cl)Cl MCULE-2207183074 [0,1,0,1,0,0|1,0,1]=4 675 B15R1.9036 CC(=O)C1=CCCCCCCCCCC1 MCULE-3433190262 [0,1,0,1,0,0|1,0,1]=4 676 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 MCULE-4234840248 [0,1,0,1,0,0|1,0,0]=3 677 B15R1.106 CCCCCCCCC1CCCC(=O)O1 MCULE-2792905042 [0,1,0,1,0,0|1,0,0]=3 678 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 MCULE-7064486276 [0,1,0,1,0,0|1,0,1]=4 679 B15R1.497 O=C(O)CCCCC(=O)C1CCCCC1 MCULE-1766913999 [0,1,0,1,0,0|1,0,1]=4 680 B15R1.3995 CCCCCC1C(=O)CCC1CC(=O)O MCULE-5541767839 [0,1,0,1,0,0|1,0,1]=4 681 B15R1.3995 CCCCCC1C(CCC1CC(=O)O)O MCULE-4436937809 [0,1,0,1,0,0|1,0,0]=3 682 B15R1.3995 CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O MCULE-2441040100 [0,1,0,1,0,0|1,0,1]=4 683 B15R1.3995 CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)O MCULE-7119713699 [0,1,0,1,0,0|1,0,1]=4 684 B15R2.627 O=C(O)C1CCC2CCCCC2C1O MCULE-9343112369 [0,0,0,2,0,0|2,0,0]=4 685 B15R2.63 O=C(O)C1CCCN1C2CCCCC2 MCULE-7904150891 [0,0,0,2,0,0|2,0,0]=4 686 B15R2.1243 O=C(O)C1CCCC1NC2CCCC2 MCULE-4427408851 [0,0,0,2,0,0|2,0,0]=4 687 B15R2.8841 O=C1NCCCCCNC2C1CCC2 MCULE-2689026675 [0,0,0,2,0,0|2,0,0]=4 688 B15R2.8841 O=C1NCCCCCN[C@@H]2[C@H]1CCC2 MCULE-9245521627 [0,0,0,2,0,0|2,0,0]=4 689 B15R2.13582 C12CCCC(=O)NC1(CCCCN2)C MCULE-4788450967 [0,0,0,2,0,0|2,0,0]=4 690 B15R2.68122 O=C(O)CC1CCCC2C1CCCC2 MCULE-8165128301 [0,0,0,2,0,0|1,0,0]=3 691 B15R2.1221 O=C(O)C1CCCCC1C2CCCO2 MCULE-9363297756 [0,0,0,2,0,0|2,0,0]=4 692 B15R2.1221 O=C(O)C1CCCCN1C2CCCC2 MCULE-5704846019 [0,0,0,2,0,0|2,0,0]=4 693 B15R2.1221 O=C(O)C1CCCCN1C2CCCC2 MCULE-9781712552 [0,0,0,2,0,0|2,0,0]=4 694 B15R2.1253 O=C(O)CC1CCCC1C2CCCC2 MCULE-4853658660 [0,0,0,2,0,0|1,0,0]=3