0 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 C(=CCCCCOC(=O)C)CCCC MCULE-1642216097 [0,0,0,0,0,0|0,0,2]=2 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|2,0,2]=4 6 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,0,0,0,0,0|0,0,2]=2 7 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [0,0,0,0,0,0|3,0,1]=4 8 B13R0.54 CCCC/C=C\CCCCOC(=O)C MCULE-9938541488 [0,0,0,0,0,0|0,0,2]=2 9 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,0,0,0,0,0|2,0,2]=4 11 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,0,0,0,0,0|0,0,2]=2 12 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,0,0,0,0,0|2,0,1]=3 13 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,0,0,0,0,0|2,0,1]=3 14 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,0,0,0,0,0|3,0,0]=3 15 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,0,0,0,0,0|1,0,0]=1 16 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,0,0,0,0,0|2,0,0]=2 17 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,0,0,0,0,0|2,0,0]=2 18 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,0,0,0,0,0|2,0,0]=2 19 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,0,0,0,0,0|2,0,0]=2 20 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,0,0,0,0,0|2,0,0]=2 21 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,0,0,0,0,0|2,0,0]=2 22 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,0,0,0,0,0|2,0,0]=2 23 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [0,0,0,0,0,0|2,0,1]=3 24 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,0,0,0,0,0|1,0,2]=3 25 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [0,0,0,0,0,0|3,0,0]=3 26 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [0,0,0,0,0,0|3,0,0]=3 27 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,0,0,0,0,0|2,0,0]=2 28 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,0,0,0,0,0|2,1,0]=3 29 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,0,0,0,0,0|0,0,0]=0 30 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,0,0,0,0,0|1,0,0]=1 31 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,0,0,0,0,0|1,1,0]=2 32 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,0,0,0,0,0|1,1,0]=2 33 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,0,0,0,0,0|3,0,0]=3 34 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,0,0,0,0,0|3,0,0]=3 35 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,0,0,0,0,0|3,0,0]=3 36 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,0,0,0,0,0|3,0,0]=3 37 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,0,0,0,0,0|3,0,0]=3 38 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,0,0,0,0,0|2,0,0]=2 39 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,0,0,0,0,0|3,0,0]=3 40 B13R0.54 COCCOCCOCCOC(=O)C MCULE-2905023128 [0,0,0,0,0,0|3,0,0]=3 41 B13R0.54 COCCOCCOCCSC(=O)C MCULE-3217130116 [0,0,0,0,0,0|3,1,0]=4 42 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,0,0,0,0,0|3,0,0]=3 43 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,0,0,0,0,0|3,0,0]=3 44 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,0,0,0,0,0|3,0,0]=3 45 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,0,0,0,0,0|3,0,0]=3 46 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,0,0,0,0,0|3,0,0]=3 47 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,0,0,0,0,0|3,0,0]=3 48 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,0,0,0,0,0|3,0,0]=3 49 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,0,0,0,0,0|3,0,0]=3 50 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,0,0,0,0,0|4,0,0]=4 51 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [0,0,0,0,0,0|4,0,0]=4 52 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,0,0,0,0,0|4,0,0]=4 53 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [1,0,0,0,0,0|1,0,2]=4 54 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [1,0,0,0,0,0|1,0,2]=4 55 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [1,0,0,0,0,0|2,0,1]=4 56 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [1,0,0,0,0,0|1,0,1]=3 57 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [1,0,0,0,0,0|2,0,1]=4 58 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [1,0,0,0,0,0|0,0,1]=2 59 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [1,0,0,0,0,0|0,1,1]=3 60 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [1,0,0,0,0,0|1,0,1]=3 61 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [1,0,0,0,0,0|2,0,0]=3 62 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [1,0,0,0,0,0|1,0,1]=3 63 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [1,0,0,0,0,0|2,0,1]=4 64 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [1,0,0,0,0,0|1,0,0]=2 65 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [1,0,0,0,0,0|2,0,1]=4 66 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [1,0,0,0,0,0|1,0,1]=3 67 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [1,0,0,0,0,0|2,0,1]=4 68 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [1,0,0,0,0,0|2,0,1]=4 69 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [1,0,0,0,0,0|2,0,1]=4 70 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [1,0,0,0,0,0|2,0,1]=4 71 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [1,0,0,0,0,0|2,0,1]=4 72 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [1,0,0,0,0,0|2,0,1]=4 73 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [1,0,0,0,0,0|2,0,1]=4 74 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [1,0,0,0,0,0|2,0,1]=4 75 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [1,0,0,0,0,0|1,0,2]=4 76 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [1,0,0,0,0,0|1,0,2]=4 77 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [1,0,0,0,0,0|1,1,1]=4 78 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [1,0,0,0,0,0|2,0,0]=3 79 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [1,0,0,0,0,0|2,0,0]=3 80 B12R0.5 CCCCCCCCCCN=C=S MCULE-4799395674 [1,0,0,0,0,0|1,1,1]=4 81 B12R0.5 CCCCCCCCCCN=N#N MCULE-3752897707 [1,0,0,0,0,0|3,0,0]=4 82 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [1,0,0,0,0,0|1,0,0]=2 83 B12R0.5 CCCCCCCCCCSC#N MCULE-1909270846 [1,0,0,0,0,0|1,1,1]=4 84 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [1,0,0,0,0,0|0,1,1]=3 85 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [1,0,0,0,0,0|2,0,1]=4 86 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [1,0,0,0,0,0|3,0,0]=4 87 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [1,0,0,0,0,0|3,0,0]=4 88 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [1,0,0,0,0,0|3,0,0]=4 89 B12R0.5 CCCCCCCCSCCNC MCULE-1591454214 [1,0,0,0,0,0|3,0,0]=4 90 B12R0.5 CCCCCCCCSCCNC MCULE-9041733565 [1,0,0,0,0,0|3,0,0]=4 91 B12R0.5 CCCCCCCNCCCNC MCULE-3143160534 [1,0,0,0,0,0|3,0,0]=4 92 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [1,0,0,0,0,0|2,0,0]=3 93 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [1,0,0,0,0,0|2,0,1]=4 94 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [1,0,0,0,0,0|2,0,1]=4 95 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [1,0,0,0,0,0|2,0,1]=4 96 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [1,0,0,0,0,0|2,0,1]=4 97 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [1,0,0,0,0,0|2,0,1]=4 98 B12R0.5 CCCCNCCOCCOCC MCULE-4895739563 [1,0,0,0,0,0|2,0,1]=4 99 B12R0.5 CCCCOCCOCCOCC MCULE-6182503793 [1,0,0,0,0,0|2,0,1]=4 100 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [1,0,0,0,0,0|1,0,1]=3 101 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [1,0,0,0,0,0|1,0,1]=3 102 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [1,0,0,0,0,0|2,0,0]=3 103 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [1,0,0,0,0,0|2,0,1]=4 104 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [1,0,0,0,0,0|1,0,2]=4 105 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,0,0,0,0,0|1,0,2]=4 106 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [1,0,0,0,0,0|1,0,1]=3 107 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,0,0,0,0,0|1,0,0]=2 108 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [1,0,0,0,0,0|1,0,1]=3 109 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [1,0,0,0,0,0|0,0,2]=3 110 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [1,0,0,0,0,0|1,0,2]=4 111 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [1,0,0,0,0,0|1,0,2]=4 112 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,0,0,0,0,0|1,0,2]=4 113 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [1,0,0,0,0,0|1,0,2]=4 114 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [1,0,0,0,0,0|1,0,2]=4 115 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [1,0,0,0,0,0|0,0,2]=3 116 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,0,0,0,0,0|1,0,2]=4 117 B12R0.234 CC(=O)NCCCCNCCCN MCULE-7493998252 [1,0,0,0,0,0|3,0,0]=4 118 B12R0.234 CC(=O)NCCCCNCCCN MCULE-9577502089 [1,0,0,0,0,0|3,0,0]=4 119 B12R0.234 CC(=O)NCCCNCCCCN MCULE-3303778613 [1,0,0,0,0,0|3,0,0]=4 120 B12R0.234 CC(=O)NCCCNCCCCN MCULE-8365270729 [1,0,0,0,0,0|3,0,0]=4 121 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [1,0,0,0,0,0|1,0,0]=2 122 B12R0.234 CC(=O)OCCOCCOCCCl MCULE-1728262662 [1,0,0,0,0,0|3,0,0]=4 123 B12R0.234 CCC=CCCCCCOC(=O)C MCULE-2714811926 [1,0,0,0,0,0|0,0,2]=3 124 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [1,0,0,0,0,0|0,0,2]=3 125 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [1,0,0,0,0,0|1,0,2]=4 126 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [1,0,0,0,0,0|1,0,2]=4 127 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [1,0,0,0,0,0|2,0,1]=4 128 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,0,0,0,0,0|0,0,0]=1 129 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,0,0,0,0,0|1,0,0]=2 130 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,0,0,0,0,0|1,0,0]=2 131 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,0,0,0,0,0|1,0,0]=2 132 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,0,0,0,0,0|1,0,1]=3 133 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,0,0,0,0,0|0,0,2]=3 134 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,0,0,0,0,0|2,0,0]=3 135 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,0,0,0,0,0|2,0,0]=3 136 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,0,0,0,0,0|1,0,0]=2 137 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [1,0,0,0,0,0|0,0,0]=1 138 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [1,0,0,0,0,0|1,0,0]=2 139 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [1,0,0,0,0,0|1,1,0]=3 140 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [1,0,0,0,0,0|1,1,0]=3 141 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [1,0,0,0,0,0|2,1,0]=4 142 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [1,0,0,0,0,0|2,1,0]=4 143 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [1,0,0,0,0,0|1,0,2]=4 144 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,0,0,0,0,0|2,0,0]=3 145 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [1,0,0,0,0,0|1,0,2]=4 146 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [1,0,0,0,0,0|2,0,0]=3 147 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,0,0,0,0,0|2,0,0]=3 148 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,0,0,0,0,0|2,0,0]=3 149 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,0,0,0,0,0|2,0,0]=3 150 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [1,0,0,0,0,0|2,0,0]=3 151 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,0,0,0,0,0|2,0,0]=3 152 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,0,0,0,0,0|2,0,1]=4 153 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,0,0,0,0,0|2,0,0]=3 154 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,0,0,0,0,0|2,0,0]=3 155 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,0,0,0,0,0|2,0,0]=3 156 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,0,0,0,0,0|2,0,0]=3 157 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [1,0,0,0,0,0|3,0,0]=4 158 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,0,0,0,0,0|3,0,0]=4 159 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,1,0,0,0,0|2,0,1]=4 160 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [0,1,0,0,0,0|2,0,0]=3 161 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,1,0,0,0,0|2,0,1]=4 162 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,1,0,0,0,0|1,0,1]=3 163 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [0,1,0,0,0,0|2,0,1]=4 164 B14R0.68 CC(=O)OCCCCCCCOC(=O)C MCULE-2908159074 [0,1,0,0,0,0|1,0,1]=3 165 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [0,1,0,0,0,0|2,0,1]=4 166 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [0,1,0,0,0,0|2,0,1]=4 167 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,1,0,0,0,0|2,0,0]=3 168 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,1,0,0,0,0|2,0,0]=3 169 B14R0.88 CCCCCCCCCCCC(C)(C)S MCULE-9956928254 [0,1,0,0,0,0|1,1,1]=4 170 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [0,1,0,0,0,0|3,0,0]=4 171 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,1,0,0,0,0|3,0,0]=4 172 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,1,0,0,0,0|3,0,0]=4 173 B14R0.88 CCCCCCCCCCC[N+](C)(C)[O-] MCULE-7281407013 [0,1,0,0,0,0|2,0,1]=4 174 B14R0.88 CCCCCCCCCCNC(C)(C)C MCULE-3212441646 [0,1,0,0,0,0|2,0,1]=4 175 B14R0.88 CCCCCCCCCCNC(C)(C)C MCULE-7219499518 [0,1,0,0,0,0|2,0,1]=4 176 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [0,1,0,0,0,0|2,0,0]=3 177 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,1,0,0,0,0|2,0,0]=3 178 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,1,0,0,0,0|2,0,0]=3 179 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,1,0,0,0,0|2,0,0]=3 180 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [0,1,0,0,0,0|2,0,1]=4 181 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [0,1,0,0,0,0|2,0,0]=3 182 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,1,0,0,0,0|2,0,1]=4 183 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [0,1,0,0,0,0|2,0,0]=3 184 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,1,0,0,0,0|2,0,1]=4 185 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,1,0,0,0,0|2,0,0]=3 186 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,1,0,0,0,0|3,0,0]=4 187 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [0,1,0,0,0,0|1,0,2]=4 188 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [0,1,0,0,0,0|0,0,1]=2 189 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [0,1,0,0,0,0|1,0,2]=4 190 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [0,1,0,0,0,0|2,0,0]=3 191 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [0,1,0,0,0,0|2,0,0]=3 192 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [0,1,0,0,0,0|1,0,0]=2 193 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [0,1,0,0,0,0|1,0,0]=2 194 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [0,1,0,0,0,0|2,0,0]=3 195 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [0,1,0,0,0,0|1,0,0]=2 196 B14R0.337 CCCCCCCCCCCC(Cl)CCl MCULE-9094665356 [0,1,0,0,0,0|2,0,1]=4 197 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [0,1,0,0,0,0|2,0,1]=4 198 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [0,1,0,0,0,0|2,0,1]=4 199 B14R0.337 CCCCCCCCCCCN(C)CC MCULE-3111741726 [0,1,0,0,0,0|3,0,0]=4 200 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [0,1,0,0,0,0|1,0,0]=2 201 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [0,1,0,0,0,0|1,0,0]=2 202 B14R0.337 CCCCCCCCCCNC(=S)NN MCULE-3954684394 [0,1,0,0,0,0|2,1,0]=4 203 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [0,1,0,0,0,0|0,0,0]=1 204 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [0,1,0,0,0,0|0,0,0]=1 205 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [0,1,0,0,0,0|0,0,0]=1 206 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [0,1,0,0,0,0|2,0,0]=3 207 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [0,1,0,0,0,0|2,0,0]=3 208 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [0,1,0,0,0,0|2,0,0]=3 209 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [0,1,0,0,0,0|2,0,0]=3 210 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [0,1,0,0,0,0|2,0,0]=3 211 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [0,1,0,0,0,0|2,0,0]=3 212 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [0,1,0,0,0,0|2,0,0]=3 213 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [0,1,0,0,0,0|2,0,0]=3 214 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [0,1,0,0,0,0|2,0,0]=3 215 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [0,1,0,0,0,0|2,0,0]=3 216 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [0,1,0,0,0,0|2,0,0]=3 217 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [0,1,0,0,0,0|2,0,0]=3 218 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [0,1,0,0,0,0|2,0,0]=3 219 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [0,1,0,0,0,0|2,0,0]=3 220 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,1,0,0,0,0|2,0,1]=4 221 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [0,1,0,0,0,0|2,0,0]=3 222 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [0,1,0,0,0,0|2,0,0]=3 223 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [0,1,0,0,0,0|2,0,0]=3 224 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [0,1,0,0,0,0|3,0,0]=4 225 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [0,1,0,0,0,0|3,0,0]=4 226 B14R0.391 CCCCCCCCCC(=O)OC(C)C MCULE-7099041092 [0,1,0,0,0,0|1,0,2]=4 227 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [0,1,0,0,0,0|2,0,0]=3 228 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [0,1,0,0,0,0|2,0,0]=3 229 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [0,1,0,0,0,0|2,0,0]=3 230 B14R0.391 CCCCCCCCOC(=O)CC(=O)C MCULE-8441732366 [0,1,0,0,0,0|2,0,1]=4 231 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,1,0,0,0,0|2,0,1]=4 232 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,1,0,0,0,0|2,0,0]=3 233 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,1,0,0,0,0|2,0,1]=4 234 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,1,0,0,0,0|2,0,1]=4 235 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,1,0,0,0,0|0,1,1]=3 236 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,1,0,0,0,0|2,0,1]=4 237 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,1,0,0,0,0|2,0,0]=3 238 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,1,0,0,0,0|1,0,0]=2 239 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,1,0,0,0,0|2,0,0]=3 240 B14R0.394 CCCCCCCCCCCCC(C)C MCULE-7317925183 [0,1,0,0,0,0|2,0,1]=4 241 B14R0.394 CCCCCCCCCCCCC(C)I MCULE-9658991496 [0,1,0,0,0,0|2,0,1]=4 242 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [0,1,0,0,0,0|1,0,2]=4 243 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,1,0,0,0,0|3,0,0]=4 244 B14R0.394 CCCCCCCCCCCCN(C)C MCULE-7234022591 [0,1,0,0,0,0|3,0,0]=4 245 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,1,0,0,0,0|2,0,0]=3 246 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,1,0,0,0,0|0,0,0]=1 247 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,1,0,0,0,0|2,0,0]=3 248 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,1,0,0,0,0|2,0,0]=3 249 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,1,0,0,0,0|0,0,0]=1 250 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-4393321218 [0,1,0,0,0,0|2,1,0]=4 251 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-8799034938 [0,1,0,0,0,0|2,1,0]=4 252 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,1,0,0,0,0|2,0,1]=4 253 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,1,0,0,0,0|2,0,0]=3 254 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,1,0,0,0,0|2,0,0]=3 255 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,1,0,0,0,0|2,0,0]=3 256 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,1,0,0,0,0|2,0,0]=3 257 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,1,0,0,0,0|3,0,0]=4 258 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,1,0,0,0,0|3,0,0]=4 259 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC MCULE-8328860853 [0,1,0,0,0,0|3,0,0]=4 260 B14R0.432 CCOC(=O)CCCCCCCC(=O)C MCULE-8382585898 [0,1,0,0,0,0|2,0,1]=4 261 B14R0.2224 CCCCCCC(=O)SCCNC(=O)C MCULE-2868864678 [0,1,0,0,0,0|2,0,1]=4 262 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [0,1,0,0,0,0|2,0,0]=3 263 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,0,0,1,0,0|2,0,0]=3 264 B14R1.26 N#CCCCCCC1CCCC(=O)C1 MCULE-8205747806 [0,0,0,1,0,0|2,0,1]=4 265 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,0,0,1,0,0|2,0,1]=4 266 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,0,0,1,0,0|2,0,0]=3 267 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,0,0,1,0,0|2,0,0]=3 268 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [0,0,0,1,0,0|3,0,0]=4 269 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [0,0,0,1,0,0|3,0,0]=4 270 B14R1.221 CCCCCCCCCCCC1CO1 MCULE-9201050634 [0,0,0,1,0,0|1,0,2]=4 271 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [0,0,0,1,0,0|1,0,0]=2 272 B14R1.269 CCNC1CCCCCC1OC(C)C MCULE-2050739760 [0,0,0,1,0,0|2,0,1]=4 273 B14R1.422 CC(=O)OCCCCC1CCCCN1 MCULE-5119546001 [0,0,0,1,0,0|1,0,0]=2 274 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [0,0,0,1,0,0|2,0,0]=3 275 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [0,0,0,1,0,0|3,0,0]=4 276 B14R1.427 CC(=O)OCCC#CCN1CCCC1 MCULE-4876726795 [0,0,0,1,0,0|1,0,2]=4 277 B14R1.482 CC(=O)NCC1CCCCN1CCN MCULE-4446092355 [0,0,0,1,0,0|3,0,0]=4 278 B14R1.482 CC(=O)NCC1CCCCN1CCO MCULE-6852251280 [0,0,0,1,0,0|3,0,0]=4 279 B14R1.786 CC(=O)NC1CCCCC1NCCO MCULE-6504670929 [0,0,0,1,0,0|3,0,0]=4 280 B14R1.854 CNC1CCCCCCC1OC(C)C MCULE-7921356097 [0,0,0,1,0,0|2,0,1]=4 281 B14R1.903 CC(=O)N1CCCCC1CNCCO MCULE-1548893825 [0,0,0,1,0,0|3,0,0]=4 282 B14R1.903 CC(=O)N1CCCCC1COCCN MCULE-3163139263 [0,0,0,1,0,0|3,0,0]=4 283 B14R1.903 CC(=O)N1CCCCC1COCCO MCULE-9658204739 [0,0,0,1,0,0|3,0,0]=4 284 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,0,0,1,0,0|2,0,0]=3 285 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [0,0,0,1,0,0|1,0,0]=2 286 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,0,0,1,0,0|0,0,0]=1 287 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [0,0,0,1,0,0|2,0,0]=3 288 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [0,0,0,1,0,0|2,0,0]=3 289 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,0,0,1,0,0|1,0,2]=4 290 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,0,0,1,0,0|2,0,0]=3 291 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [2,0,0,0,0,0|0,0,2]=4 292 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [2,0,0,0,0,0|0,0,2]=4 293 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [2,0,0,0,0,0|1,0,1]=4 294 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [2,0,0,0,0,0|0,0,1]=3 295 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [2,0,0,0,0,0|1,0,1]=4 296 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [2,0,0,0,0,0|1,0,1]=4 297 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [2,0,0,0,0,0|1,0,1]=4 298 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [2,0,0,0,0,0|1,0,1]=4 299 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [2,0,0,0,0,0|0,0,2]=4 300 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [2,0,0,0,0,0|0,0,2]=4 301 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [2,0,0,0,0,0|1,0,1]=4 302 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [2,0,0,0,0,0|0,0,0]=2 303 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [2,0,0,0,0,0|1,0,1]=4 304 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [2,0,0,0,0,0|0,0,1]=3 305 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [2,0,0,0,0,0|1,0,1]=4 306 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [2,0,0,0,0,0|1,0,1]=4 307 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [2,0,0,0,0,0|1,0,1]=4 308 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [2,0,0,0,0,0|0,0,2]=4 309 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [2,0,0,0,0,0|0,1,1]=4 310 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [2,0,0,0,0,0|1,0,0]=3 311 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [2,0,0,0,0,0|1,0,0]=3 312 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [2,0,0,0,0,0|0,0,0]=2 313 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [2,0,0,0,0,0|1,0,0]=3 314 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [2,0,0,0,0,0|1,0,0]=3 315 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [2,0,0,0,0,0|0,1,0]=3 316 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [2,0,0,0,0,0|1,0,1]=4 317 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [2,0,0,0,0,0|0,0,0]=2 318 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [2,0,0,0,0,0|0,1,1]=4 319 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [2,0,0,0,0,0|1,0,1]=4 320 B11R0.3 CCCCCCCCNOCC MCULE-3650695826 [2,0,0,0,0,0|1,0,1]=4 321 B11R0.3 CCCCCCCCNOCC MCULE-5548504565 [2,0,0,0,0,0|1,0,1]=4 322 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [2,0,0,0,0,0|1,0,1]=4 323 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [2,0,0,0,0,0|1,0,0]=3 324 B11R0.3 CCCCOCCOCCOC MCULE-8111177194 [2,0,0,0,0,0|2,0,0]=4 325 B11R0.3 CCNCCCNCCCOC MCULE-1166620245 [2,0,0,0,0,0|2,0,0]=4 326 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [2,0,0,0,0,0|1,0,1]=4 327 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [2,0,0,0,0,0|2,0,0]=4 328 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [2,0,0,0,0,0|1,0,0]=3 329 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [2,0,0,0,0,0|1,0,0]=3 330 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [2,0,0,0,0,0|1,0,0]=3 331 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [2,0,0,0,0,0|1,0,0]=3 332 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [2,0,0,0,0,0|1,0,0]=3 333 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [2,0,0,0,0,0|1,0,0]=3 334 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [2,0,0,0,0,0|1,0,1]=4 335 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [2,0,0,0,0,0|1,0,1]=4 336 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [2,0,0,0,0,0|1,0,0]=3 337 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [2,0,0,0,0,0|1,0,1]=4 338 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [2,0,0,0,0,0|0,0,2]=4 339 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [2,0,0,0,0,0|1,0,0]=3 340 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [2,0,0,0,0,0|1,0,1]=4 341 B11R0.148 CCCC/C=C\CCOC(=O)C MCULE-5044870920 [2,0,0,0,0,0|0,0,2]=4 342 B11R0.148 CCCCC=CCCOC(=O)C MCULE-8921990055 [2,0,0,0,0,0|0,0,2]=4 343 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [2,0,0,0,0,0|2,0,0]=4 344 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [2,0,0,0,0,0|2,0,0]=4 345 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [2,0,0,0,0,0|0,0,0]=2 346 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [2,0,0,0,0,0|1,0,0]=3 347 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [2,0,0,0,0,0|1,0,0]=3 348 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [2,0,0,0,0,0|1,0,0]=3 349 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [2,0,0,0,0,0|1,0,0]=3 350 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [2,0,0,0,0,0|1,0,0]=3 351 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [2,0,0,0,0,0|1,0,0]=3 352 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [2,0,0,0,0,0|1,0,0]=3 353 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [2,0,0,0,0,0|1,0,1]=4 354 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [2,0,0,0,0,0|1,0,1]=4 355 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [2,0,0,0,0,0|0,0,2]=4 356 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [2,0,0,0,0,0|2,0,0]=4 357 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [2,0,0,0,0,0|2,0,0]=4 358 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [2,0,0,0,0,0|0,0,0]=2 359 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [2,0,0,0,0,0|1,0,0]=3 360 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [2,0,0,0,0,0|1,1,0]=4 361 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [2,0,0,0,0,0|1,1,0]=4 362 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [2,0,0,0,0,0|2,0,0]=4 363 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [2,0,0,0,0,0|2,0,0]=4 364 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [2,0,0,0,0,0|2,0,0]=4 365 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [2,0,0,0,0,0|2,0,0]=4 366 B11R0.148 CCOCCOCCOC(=O)C MCULE-2995602513 [2,0,0,0,0,0|2,0,0]=4 367 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [2,0,0,0,0,0|2,0,0]=4 368 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [2,0,0,0,0,0|2,0,0]=4 369 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [2,0,0,0,0,0|2,0,0]=4 370 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [2,0,0,0,0,0|2,0,0]=4 371 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [2,0,0,0,0,0|2,0,0]=4 372 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [1,1,0,0,0,0|0,0,2]=4 373 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [1,1,0,0,0,0|0,0,2]=4 374 B13R0.66 CCCCCCCCC(O)CCCC MCULE-2796916892 [1,1,0,0,0,0|1,0,1]=4 375 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [1,1,0,0,0,0|2,0,0]=4 376 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [1,1,0,0,0,0|1,0,0]=3 377 B13R0.165 CCCCCCC(C)CCCCCC MCULE-2236189519 [1,1,0,0,0,0|1,0,1]=4 378 B13R0.165 CCCCCCC(N)CCCCCC MCULE-2802579601 [1,1,0,0,0,0|1,0,1]=4 379 B13R0.165 CCCCCCC(O)CCCCCC MCULE-2797114957 [1,1,0,0,0,0|1,0,1]=4 380 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [1,1,0,0,0,0|1,0,1]=4 381 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [1,1,0,0,0,0|1,0,1]=4 382 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [1,1,0,0,0,0|1,0,1]=4 383 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [1,1,0,0,0,0|0,1,1]=4 384 B13R0.336 CCCCCCCCCCC=CC#N MCULE-5311798650 [1,1,0,0,0,0|1,0,1]=4 385 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [1,1,0,0,0,0|1,0,0]=3 386 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [1,1,0,0,0,0|1,0,0]=3 387 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [1,1,0,0,0,0|1,0,1]=4 388 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [1,1,0,0,0,0|1,0,1]=4 389 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [1,1,0,0,0,0|1,0,1]=4 390 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [1,1,0,0,0,0|1,0,1]=4 391 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [1,1,0,0,0,0|1,0,1]=4 392 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [1,1,0,0,0,0|1,0,1]=4 393 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [1,1,0,0,0,0|1,0,1]=4 394 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [1,1,0,0,0,0|1,0,1]=4 395 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [1,1,0,0,0,0|0,1,1]=4 396 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [1,1,0,0,0,0|1,0,1]=4 397 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [1,1,0,0,0,0|1,0,1]=4 398 B13R0.336 CCCCCCCCCCOCCCl MCULE-1526089088 [1,1,0,0,0,0|0,0,1]=3 399 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [1,1,0,0,0,0|0,0,1]=3 400 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [1,1,0,0,0,0|0,1,1]=4 401 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-2529658193 [1,1,0,0,0,0|1,0,1]=4 402 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-5824513113 [1,1,0,0,0,0|1,0,1]=4 403 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [1,1,0,0,0,0|1,0,1]=4 404 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [1,1,0,0,0,0|1,0,1]=4 405 B13R0.336 CCCCCCCCNCCOCC MCULE-6476025295 [1,1,0,0,0,0|0,0,1]=3 406 B13R0.336 CCCCCCCC[NH2+]CCOCC MCULE-4163142812 [1,1,0,0,0,0|0,0,1]=3 407 B13R0.336 CCCCCCCNCCCNCC MCULE-4051699159 [1,1,0,0,0,0|1,0,1]=4 408 B13R0.336 CCCCCCCOCCOCCCl MCULE-7165053997 [1,1,0,0,0,0|1,0,1]=4 409 B13R0.336 CCCCCCCSCCOCCO MCULE-9037054254 [1,1,0,0,0,0|1,0,1]=4 410 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [1,1,0,0,0,0|1,0,1]=4 411 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [1,1,0,0,0,0|1,0,0]=3 412 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [1,1,0,0,0,0|1,0,1]=4 413 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [1,1,0,0,0,0|1,0,0]=3 414 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [1,1,0,0,0,0|1,0,1]=4 415 B13R0.88 CCOC(=O)CCCCCOC(=O)C MCULE-7762272982 [1,1,0,0,0,0|1,0,1]=4 416 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [1,1,0,0,0,0|1,0,1]=4 417 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [1,1,0,0,0,0|1,0,0]=3 418 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [1,1,0,0,0,0|1,0,0]=3 419 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [1,1,0,0,0,0|1,0,0]=3 420 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [1,1,0,0,0,0|1,0,0]=3 421 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [1,1,0,0,0,0|1,0,1]=4 422 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [1,1,0,0,0,0|1,0,0]=3 423 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [1,1,0,0,0,0|1,0,0]=3 424 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [1,1,0,0,0,0|0,0,1]=3 425 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [1,1,0,0,0,0|1,0,1]=4 426 B13R0.179 CC(=O)OCCCCCCOC(=O)C MCULE-7403372760 [1,1,0,0,0,0|1,0,1]=4 427 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [1,1,0,0,0,0|1,0,0]=3 428 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [1,1,0,0,0,0|1,0,0]=3 429 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [1,1,0,0,0,0|1,0,1]=4 430 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [1,1,0,0,0,0|1,0,0]=3 431 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [1,1,0,0,0,0|1,0,0]=3 432 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [1,1,0,0,0,0|2,0,0]=4 433 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [1,1,0,0,0,0|2,0,0]=4 434 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [1,1,0,0,0,0|2,0,0]=4 435 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [1,1,0,0,0,0|2,0,0]=4 436 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [1,1,0,0,0,0|2,0,0]=4 437 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-3384760582 [1,1,0,0,0,0|2,0,0]=4 438 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-7441976704 [1,1,0,0,0,0|2,0,0]=4 439 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-9457271107 [1,1,0,0,0,0|2,0,0]=4 440 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] MCULE-9878706939 [1,1,0,0,0,0|1,0,1]=4 441 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl MCULE-6793568340 [1,1,0,0,0,0|1,1,0]=4 442 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl MCULE-9569407905 [1,1,0,0,0,0|1,1,0]=4 443 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [1,1,0,0,0,0|1,0,0]=3 444 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [1,1,0,0,0,0|2,0,0]=4 445 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [1,1,0,0,0,0|2,0,0]=4 446 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [1,1,0,0,0,0|1,0,0]=3 447 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [1,1,0,0,0,0|1,0,0]=3 448 B13R0.335 CCCCCCCOC(=O)CC(=O)C MCULE-3029543829 [1,1,0,0,0,0|1,0,1]=4 449 B15R0.67 CCCCCCCC(C)CC(C)CC(=O)O MCULE-2051757289 [0,2,0,0,0,0|2,0,0]=4 450 B15R0.247 CCC(C)CCCCCCCCCC(=O)O MCULE-8493403779 [0,2,0,0,0,0|2,0,0]=4 451 B15R0.247 COC(=O)CCCCCCCCCC(C)C MCULE-6194864064 [0,2,0,0,0,0|1,0,0]=3 452 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [0,2,0,0,0,0|2,0,0]=4 453 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [0,2,0,0,0,0|2,0,0]=4 454 B15R0.252 CCCCCCCCCCCOS(=O)(=O)C MCULE-1998014909 [0,2,0,0,0,0|1,0,0]=3 455 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7806053327 [0,2,0,0,0,0|2,0,0]=4 456 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-8045056638 [0,2,0,0,0,0|2,0,0]=4 457 B15R0.234 CCCCCC(=O)CCCCCCC(=O)O MCULE-6960063747 [0,2,0,0,0,0|2,0,0]=4 458 B15R0.193 CCCCCCC(=O)CCCCCC(=O)O MCULE-2666903083 [0,2,0,0,0,0|2,0,0]=4 459 B15R0.193 CCCCCCC(O)CCCCCC(=O)O MCULE-9789061912 [0,2,0,0,0,0|2,0,0]=4 460 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C MCULE-9098653924 [0,2,0,0,0,0|1,0,1]=4 461 B15R0.172 CCC(C)CCCCCCCCC(=O)OC MCULE-9269565507 [0,2,0,0,0,0|1,0,0]=3 462 B15R0.172 COC(=O)CCCCCCCCC(O)CO MCULE-4669620712 [0,2,0,0,0,0|2,0,0]=4 463 B15R0.81 CCCCCCCCCCCCC(=O)OC MCULE-6268749120 [0,2,0,0,0,0|1,0,0]=3 464 B15R0.81 CCCCCCCCCCCCC(C)C=O MCULE-8588140296 [0,2,0,0,0,0|1,0,1]=4 465 B15R0.81 CCCCCCCCCCOCC(O)CO MCULE-3618364650 [0,2,0,0,0,0|0,0,2]=4 466 B15R0.81 COC(=O)CCCCCCCCCCC#N MCULE-3424341580 [0,2,0,0,0,0|1,0,1]=4 467 B15R0.81 COC(=O)CCCCCCCCCCCBr MCULE-7032517210 [0,2,0,0,0,0|1,0,0]=3 468 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-2097053515 [0,2,0,0,0,0|1,0,0]=3 469 B15R0.81 COC(=O)CCCCCCCCCCCN MCULE-6460421950 [0,2,0,0,0,0|1,0,0]=3 470 B15R0.84 C=C(C)C(=O)OCCOCCOCCCC MCULE-3739021196 [0,2,0,0,0,0|2,0,0]=4 471 B15R0.84 CCCCCCCCCCCC(=O)N(C)C MCULE-4021126089 [0,2,0,0,0,0|1,0,0]=3 472 B15R0.84 CCCCCCCCCCCC(C)C(=O)O MCULE-5954675605 [0,2,0,0,0,0|1,0,1]=4 473 B15R0.84 CCCCCCCCCCSC(=S)N(C)C MCULE-1899156333 [0,2,0,0,0,0|0,2,0]=4 474 B15R0.324 CCCCCCCCCCC(O)C(=O)OC MCULE-7036030326 [0,2,0,0,0,0|1,0,0]=3 475 B15R0.324 CCCCCCCCNCC(C)C(=O)OC MCULE-3775062330 [0,2,0,0,0,0|2,0,0]=4 476 B15R0.366 C=COC(=O)CCCCCCCCCCC MCULE-4112696875 [0,2,0,0,0,0|1,0,1]=4 477 B15R0.366 CCCCCCCCC/C=C/C(=O)OCC MCULE-9164260564 [0,2,0,0,0,0|1,0,1]=4 478 B15R0.366 CCCCCCCCCC=CC(=O)OCC MCULE-3827280556 [0,2,0,0,0,0|1,0,1]=4 479 B15R0.366 CCCCCCCCCCCC(=O)NCC MCULE-4785540132 [0,2,0,0,0,0|1,0,0]=3 480 B15R0.366 CCCCCCCCCCCC(=O)OCC MCULE-6150658986 [0,2,0,0,0,0|1,0,0]=3 481 B15R0.366 CCCCCCCCCCCC(=O)OCCl MCULE-7622384571 [0,2,0,0,0,0|1,0,0]=3 482 B15R0.366 CCCCCCCCCCOC(=O)CC#N MCULE-3934095862 [0,2,0,0,0,0|0,0,0]=2 483 B15R0.366 CCCCCCCCNCCC(=O)OCC MCULE-7089762363 [0,2,0,0,0,0|2,0,0]=4 484 B15R0.366 CCCCCCCCSCCC(=O)OCC MCULE-2446708021 [0,2,0,0,0,0|2,0,0]=4 485 B15R0.366 CCOC(=O)CCCCCCCCCCBr MCULE-2219675372 [0,2,0,0,0,0|2,0,0]=4 486 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC MCULE-9878066874 [0,2,0,0,0,0|1,0,1]=4 487 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC MCULE-2317645071 [0,2,0,0,0,0|1,0,0]=3 488 B15R0.3221 CCCCCCCCC[C@@H](O)CC(=O)OC MCULE-3527439520 [0,2,0,0,0,0|1,0,0]=3 489 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC MCULE-6956447346 [0,2,0,0,0,0|2,0,0]=4 490 B15R0.1626 CCCCCCCCCCC(C)(C)C(=O)O MCULE-7436631442 [0,2,0,0,0,0|2,0,0]=4 491 B15R0.69 C=C(C)CC(C)CCCCCCCCCC MCULE-9735141948 [0,2,0,0,0,0|2,0,0]=4 492 B15R0.69 CCCCCCCCCCC(C)CC(=O)O MCULE-3804531187 [0,2,0,0,0,0|2,0,0]=4 493 B15R0.69 CCCCCCCCCCC(O)CC(=O)O MCULE-6799084773 [0,2,0,0,0,0|2,0,0]=4 494 B15R0.69 CCCCCCCCCOC(=O)CC(=O)C MCULE-7144219586 [0,2,0,0,0,0|1,0,1]=4 495 B15R0.129 CCCCCCCC(=O)SCCNC(=O)C MCULE-9866307736 [0,2,0,0,0,0|1,0,1]=4 496 B15R0.129 CCCCCCCC(O)CCCCC(=O)O MCULE-3086004434 [0,2,0,0,0,0|2,0,0]=4 497 B15R0.164 C#CCCCCCCCCCCCC(=O)O MCULE-5832522123 [0,2,0,0,0,0|2,0,0]=4 498 B15R0.164 C=C(C)CCCCCCCCCCCCC MCULE-7613302437 [0,2,0,0,0,0|2,0,0]=4 499 B15R0.164 C=C/C=C/CCCCCCCCOC(=O)C MCULE-1010891009 [0,2,0,0,0,0|0,0,2]=4 500 B15R0.164 C=CC=CCCCCCCCCOC(=O)C MCULE-9010306940 [0,2,0,0,0,0|0,0,2]=4 501 B15R0.164 CC(=O)SCCCCCCCCCCCBr MCULE-7548194965 [0,2,0,0,0,0|0,1,0]=3 502 B15R0.164 CC/C=C\C=C\CCCCCCOC(=O)C MCULE-6322460841 [0,2,0,0,0,0|0,0,2]=4 503 B15R0.164 CC/C=C\CCCCCCCCOC(=O)C MCULE-6483284858 [0,2,0,0,0,0|0,0,0]=2 504 B15R0.164 CC=CC=CCCCCCCCOC(=O)C MCULE-4887084385 [0,2,0,0,0,0|0,0,2]=4 505 B15R0.164 CCC/C=C/CCCCCCCOC(=O)C MCULE-2744234945 [0,2,0,0,0,0|0,0,0]=2 506 B15R0.164 CCC/C=C\CCCCCCCOC(=O)C MCULE-7735460500 [0,2,0,0,0,0|0,0,0]=2 507 B15R0.164 CCC=CC=CCCCCCCOC(=O)C MCULE-1965108968 [0,2,0,0,0,0|0,0,2]=4 508 B15R0.164 CCC=CCCCCCCCCOC(=O)C MCULE-2798849083 [0,2,0,0,0,0|0,0,0]=2 509 B15R0.164 CCCC/C=C/CCCCCCCC(=O)O MCULE-6705749045 [0,2,0,0,0,0|2,0,0]=4 510 B15R0.164 CCCC/C=C/CCCCCCOC(=O)C MCULE-2152851271 [0,2,0,0,0,0|0,0,0]=2 511 B15R0.164 CCCC/C=C\CCCCCCCC(=O)O MCULE-5504515924 [0,2,0,0,0,0|2,0,0]=4 512 B15R0.164 CCCC/C=C\CCCCCCOC(=O)C MCULE-3266505572 [0,2,0,0,0,0|0,0,0]=2 513 B15R0.164 CCCC=CCCCCCCCOC(=O)C MCULE-3017538960 [0,2,0,0,0,0|0,0,0]=2 514 B15R0.164 CCCCC=CCCCCCCCC(=O)O MCULE-5940555705 [0,2,0,0,0,0|2,0,0]=4 515 B15R0.164 CCCCC=CCCCCCCOC(=O)C MCULE-4045769000 [0,2,0,0,0,0|0,0,0]=2 516 B15R0.164 CCCCCCCCC#CCCCC(=O)O MCULE-7080925639 [0,2,0,0,0,0|2,0,0]=4 517 B15R0.164 CCCCCCCCCCCCCC(=O)C MCULE-8350749092 [0,2,0,0,0,0|1,0,0]=3 518 B15R0.164 CCCCCCCCCCCCCC(=O)Cl MCULE-2497488642 [0,2,0,0,0,0|2,0,0]=4 519 B15R0.164 CCCCCCCCCCCCCC(=O)N MCULE-5753717982 [0,2,0,0,0,0|2,0,0]=4 520 B15R0.164 CCCCCCCCCCCCCC(=O)O MCULE-9671122893 [0,2,0,0,0,0|2,0,0]=4 521 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-6783279487 [0,2,0,0,0,0|2,0,0]=4 522 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] MCULE-7103790332 [0,2,0,0,0,0|2,0,0]=4 523 B15R0.164 CCCCCCCCCCCCNC(=O)C MCULE-9415436236 [0,2,0,0,0,0|1,0,0]=3 524 B15R0.164 CCCCCCCCCCCCNC(=O)N MCULE-2832774647 [0,2,0,0,0,0|2,0,0]=4 525 B15R0.164 CCCCCCCCCCCCOC(=O)C MCULE-2488215593 [0,2,0,0,0,0|0,0,0]=2 526 B15R0.164 CCCCCCCCCCCCOC(=O)Cl MCULE-1341492119 [0,2,0,0,0,0|1,0,0]=3 527 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-2395943543 [0,2,0,0,0,0|1,1,0]=4 528 B15R0.164 CCCCCCCCCCCCOC(=S)[S-] MCULE-5871678815 [0,2,0,0,0,0|1,1,0]=4 529 B15R0.164 CCCCCCCCCCCOCC(=O)O MCULE-2338877776 [0,2,0,0,0,0|1,0,0]=3 530 B15R0.164 CCCCCCCCCCCSCC(=O)O MCULE-3362261921 [0,2,0,0,0,0|1,1,0]=4 531 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-4890771155 [0,2,0,0,0,0|2,0,0]=4 532 B15R0.164 CCCCCCCCCCNCCC(=O)O MCULE-9733002368 [0,2,0,0,0,0|2,0,0]=4 533 B15R0.164 CCCCCCCCCCOCCC(=O)O MCULE-9683464566 [0,2,0,0,0,0|1,0,0]=3 534 B15R0.164 CCCCCCCCCCSCCC(=O)O MCULE-4853340553 [0,2,0,0,0,0|1,1,0]=4 535 B15R0.164 CCCCCCCCSCCCCC(=O)O MCULE-1196712745 [0,2,0,0,0,0|2,0,0]=4 536 B15R0.164 CCCCCCCSCCCCCC(=O)O MCULE-9410938289 [0,2,0,0,0,0|2,0,0]=4 537 B15R0.164 CCCOCCCCCCCCCC(=O)O MCULE-6540084862 [0,2,0,0,0,0|2,0,0]=4 538 B15R0.164 CNCCCCCCCCCCCC(=O)O MCULE-3869239649 [0,2,0,0,0,0|2,0,0]=4 539 B15R0.164 O=C(O)CCCCCCCCCCCCBr MCULE-2321032418 [0,2,0,0,0,0|2,0,0]=4 540 B15R0.164 O=C(O)CCCCCCCCCCCCO MCULE-3086618486 [0,2,0,0,0,0|2,0,0]=4 541 B15R0.222 CC(=O)CCCCCCCCCCC(=O)O MCULE-8079792928 [0,2,0,0,0,0|1,0,1]=4 542 B15R0.222 CC(=O)OCCCCCCCCOC(=O)C MCULE-5154587833 [0,2,0,0,0,0|0,0,1]=3 543 B15R0.222 CC(C)CCCCCCCCCCC(=O)O MCULE-7115259280 [0,2,0,0,0,0|2,0,0]=4 544 B15R0.222 CC(O)CCCCCCCCCCC(=O)O MCULE-4292387921 [0,2,0,0,0,0|2,0,0]=4 545 B15R0.222 CS(=O)CCCCCCCCCCS(=O)C MCULE-3759004866 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.28 CCCCCCCC1CCCCC1 MCULE-5431487347 [1,0,0,1,0,0|1,0,1]=4 547 B13R1.28 CCCCCNCC1CCOCC1 MCULE-6543779177 [1,0,0,1,0,0|1,0,1]=4 548 B13R1.207 CCOC1CCCCCCC1NC MCULE-2927737246 [1,0,0,1,0,0|1,0,1]=4 549 B13R1.225 CCNC1CCCCCC1OCC MCULE-2650007549 [1,0,0,1,0,0|1,0,1]=4 550 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [1,0,0,1,0,0|1,0,1]=4 551 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [1,0,0,1,0,0|1,0,0]=3 552 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [1,0,0,1,0,0|1,0,0]=3 553 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [1,0,0,1,0,0|0,0,0]=2 554 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [1,0,0,1,0,0|1,0,0]=3 555 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [1,0,0,1,0,0|1,0,0]=3 556 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [1,0,0,1,0,0|2,0,0]=4 557 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [1,0,0,1,0,0|2,0,0]=4 558 B13R1.2883 C1CCCCCCNCCCCC1 MCULE-9792674396 [1,0,0,1,0,0|1,0,1]=4 559 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [1,0,0,1,0,0|1,0,0]=3 560 B13R1.6 N#CCCCCC1CCCC(=O)C1 MCULE-6540271443 [1,0,0,1,0,0|1,0,1]=4 561 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [1,0,0,1,0,0|1,0,0]=3 562 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [1,0,0,1,0,0|1,0,0]=3 563 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [1,0,0,1,0,0|2,0,0]=4 564 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [1,0,0,1,0,0|2,0,0]=4 565 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [1,0,0,1,0,0|2,0,0]=4 566 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [1,0,0,1,0,0|2,0,0]=4 567 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [1,0,0,1,0,0|2,0,0]=4 568 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [1,0,0,1,0,0|1,0,0]=3 569 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-1444724209 [1,0,0,1,0,0|1,0,0]=3 570 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-4206471088 [1,0,0,1,0,0|1,0,0]=3 571 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-4591243184 [1,0,0,1,0,0|1,0,0]=3 572 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-7140721019 [1,0,0,1,0,0|1,0,0]=3 573 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-2323487501 [1,0,0,1,0,0|1,0,0]=3 574 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-4105549584 [1,0,0,1,0,0|1,0,0]=3 575 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7448871413 [1,0,0,1,0,0|1,0,0]=3 576 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7777165052 [1,0,0,1,0,0|1,0,0]=3 577 B13R1.337 CC(=O)OCCCN1CCOCC1 MCULE-5444969201 [1,0,0,1,0,0|2,0,0]=4 578 B13R1.337 CC(=O)OCCCN1CCOCC1 MCULE-6145677161 [1,0,0,1,0,0|2,0,0]=4 579 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [1,0,0,1,0,0|2,0,0]=4 580 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [1,0,0,1,0,0|1,0,0]=3 581 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [1,0,0,1,0,0|2,0,0]=4 582 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [1,0,0,1,0,0|2,0,0]=4 583 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [1,0,0,1,0,0|2,0,0]=4 584 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [1,0,0,1,0,0|2,0,0]=4 585 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [1,0,0,1,0,0|2,0,0]=4 586 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [1,0,0,1,0,0|2,0,0]=4 587 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [1,0,0,1,0,0|2,0,0]=4 588 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [1,0,0,1,0,0|2,0,0]=4 589 B13R1.380 CCNC1CCCCC1NC(=O)C MCULE-2777817007 [1,0,0,1,0,0|2,0,0]=4 590 B13R1.572 CCNCC1CCCCN1C(=O)C MCULE-9510324212 [1,0,0,1,0,0|2,0,0]=4 591 B13R1.610 CCC1CCCCCC1NC(=O)C MCULE-1382386726 [1,0,0,1,0,0|1,0,0]=3 592 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [1,0,0,1,0,0|2,0,0]=4 593 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [1,0,0,1,0,0|2,0,0]=4 594 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [1,0,0,1,0,0|1,0,0]=3 595 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [1,0,0,1,0,0|2,0,0]=4 596 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [1,0,0,1,0,0|2,0,0]=4 597 B15R1.504 CC(=O)OCCC#CCN1CCCCC1 MCULE-9469248462 [0,1,0,1,0,0|0,0,2]=4 598 B15R1.504 CC(C)OCCCNCC1CCCCC1 MCULE-5677357543 [0,1,0,1,0,0|1,0,1]=4 599 B15R1.504 CC(C)OCCCNCC1CCCCC1 MCULE-9447000503 [0,1,0,1,0,0|1,0,1]=4 600 B15R1.11631 COC(=O)CCCCCCCCC1CO1 MCULE-1178066242 [0,1,0,1,0,0|2,0,0]=4 601 B15R1.12 CCCCCCCCC1CCC(=O)CC1 MCULE-3877943983 [0,1,0,1,0,0|1,0,0]=3 602 B15R1.34 CCCCCCCCCC1OCC(O1)C MCULE-8755635049 [0,1,0,1,0,0|0,0,2]=4 603 B15R1.962 O=C(CCl)NCCCOC1CCCCC1 MCULE-1163547747 [0,1,0,1,0,0|2,0,0]=4 604 B15R1.1052 CCCCC1CCCCC1OC(=O)CC MCULE-7582349458 [0,1,0,1,0,0|0,0,0]=2 605 B15R1.1091 CC1CCCCC1OCCNC(=O)CCl MCULE-7040058102 [0,1,0,1,0,0|2,0,0]=4 606 B15R1.6326 CCCCCCCCC1CC1C(=O)NO MCULE-9235033063 [0,1,0,1,0,0|2,0,0]=4 607 B15R1.6595 O=C1CCCCCCCCCCCCO1 MCULE-3692667490 [0,1,0,1,0,0|0,0,0]=2 608 B15R1.9036 CC(=O)C1=CCCCCCCCCCC1 MCULE-3433190262 [0,1,0,1,0,0|1,0,0]=3 609 B15R1.9036 CC(=O)C1CCCCCCCCCCC1 MCULE-4234840248 [0,1,0,1,0,0|1,0,0]=3 610 B15R1.5365 CCCCCCCCC1CC(=O)OC1=O MCULE-6008951424 [0,1,0,1,0,0|0,0,1]=3 611 B15R1.106 CCCCCCCCC1CCCC(=O)O1 MCULE-2792905042 [0,1,0,1,0,0|2,0,0]=4 612 B15R1.106 N#CCCCCCCC1CCCC(=O)C1 MCULE-7064486276 [0,1,0,1,0,0|1,0,1]=4 613 B15R1.7095 CCNC1CCCCCCC1OC(C)C MCULE-2273262572 [0,1,0,1,0,0|1,0,1]=4 614 B15R1.6476 O=C1CCCCCCCC(=O)OCCO1 MCULE-6659312326 [0,1,0,1,0,0|1,0,1]=4 615 B15R1.3995 CCCCCC1C(CCC1CC(=O)O)O MCULE-4436937809 [0,1,0,1,0,0|2,0,0]=4 616 B15R2.1668 CC(=O)OC1CCC2CCCNC2C1 MCULE-1114273673 [0,0,0,2,0,0|1,0,0]=3 617 B15R2.1668 CC(=O)OC1CCC2CCCNC2C1 MCULE-2414513136 [0,0,0,2,0,0|1,0,0]=3 618 B15R2.6962 O=C1CC(CN1)CN2CCCCCC2 MCULE-7153312781 [0,0,0,2,0,0|2,0,0]=4 619 B15R2.69021 [C@@H]12CCCN([C@]1(CCCN2)C)C(=O)C MCULE-5477849049 [0,0,0,2,0,0|2,0,0]=4 620 B15R2.8841 O=C1NCCCCCNC2C1CCC2 MCULE-2689026675 [0,0,0,2,0,0|2,0,0]=4 621 B15R2.8841 O=C1NCCCCCN[C@@H]2[C@H]1CCC2 MCULE-9245521627 [0,0,0,2,0,0|2,0,0]=4 622 B15R2.68711 [C@H]12CCN([C@@H]1CCCCCN2)C(=O)C MCULE-1967986463 [0,0,0,2,0,0|2,0,0]=4 623 B15R2.68695 [C@H]12CCCCN[C@@H]1CCN(C2)C(=O)C MCULE-8355114646 [0,0,0,2,0,0|2,0,0]=4 624 B15R2.62 CC(=O)N1CCNCC12CCCCC2 MCULE-1980407936 [0,0,0,2,0,0|2,0,0]=4 625 B15R2.68122 CC(=O)OC1CCCC2C1CCCN2 MCULE-6122570026 [0,0,0,2,0,0|1,0,0]=3 626 B15R2.68122 CC(=O)OC1CCCC2C1CCCN2 MCULE-8553920814 [0,0,0,2,0,0|1,0,0]=3 627 B15R2.68122 CC(=O)OC1CCNC2C1CCCC2 MCULE-6072715712 [0,0,0,2,0,0|1,0,0]=3 628 B15R2.68122 CC(=O)OC1CCNC2C1CCCC2 MCULE-9402103214 [0,0,0,2,0,0|1,0,0]=3 629 B15R2.68122 O=C(O)CC1CCCC2C1CCCC2 MCULE-8165128301 [0,0,0,2,0,0|2,0,0]=4 630 B15R2.1253 O=C(O)CC1CCCC1C2CCCC2 MCULE-4853658660 [0,0,0,2,0,0|2,0,0]=4 631 B15R2.16248 [C@H]12CCN[C@@H]1CCCCCN2C(=O)C MCULE-1243064647 [0,0,0,2,0,0|2,0,0]=4 632 B15R2.16248 [C@H]12CCN[C@@H]1CCCCCN2C(=O)C MCULE-5296269048 [0,0,0,2,0,0|2,0,0]=4 633 B15R2.984 CC(=O)N1CC2CCCCN2CC1C MCULE-8710336649 [0,0,0,2,0,0|2,0,0]=4 634 B15R2.19809 CC(=O)NC1CCCCC1NC2CC2 MCULE-2324411710 [0,0,0,2,0,0|2,0,0]=4 635 B15R2.16319 CC(=O)N1CCCCC1CNC2CC2 MCULE-4786560870 [0,0,0,2,0,0|2,0,0]=4