0 B12R0.268 C=C(Br)CCCCCCOC(=O)C MCULE-8982572219 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.268 C=C(C)CCCCCCOC(=O)C MCULE-3590471537 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.268 C=C(Cl)CCCCCCOC(=O)C MCULE-2432625530 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.268 CC(=O)NCCCCCNC(=O)C MCULE-4106454618 [0,0,0,0,0,0|4,0,0]=4 6 B12R0.268 CC(=O)OCCCCCOC(=O)C MCULE-2363953695 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [0,0,0,0,0,0|2,0,1]=3 8 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [0,0,0,0,0,0|3,0,1]=4 9 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [0,0,0,0,0,0|1,0,1]=2 10 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,0,0,0,0,0|1,0,0]=1 11 B12R0.268 O=C(Cl)CCCCCCCC(=O)Cl MCULE-9993434552 [0,0,0,0,0,0|2,0,0]=2 12 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [0,0,0,0,0,0|0,0,0]=0 13 B12R0.268 O=C(O)CCCCCCON(=O)=O MCULE-5045906943 [0,0,0,0,0,0|2,0,1]=3 14 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-2001162043 [0,0,0,0,0,0|1,0,0]=1 15 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-8676764057 [0,0,0,0,0,0|1,0,0]=1 16 B12R0.268 O=C(O)CCCNCCCC(=O)O MCULE-1624663865 [0,0,0,0,0,0|1,0,0]=1 17 B12R0.268 O=C(O)CCCOCCCC(=O)O MCULE-5250506996 [0,0,0,0,0,0|1,0,0]=1 18 B12R0.268 O=C(O)CCSCSCCC(=O)O MCULE-5771159784 [0,0,0,0,0,0|2,0,0]=2 19 B12R0.268 O=C(O)CNCCCNCC(=O)O MCULE-7974649276 [0,0,0,0,0,0|2,0,0]=2 20 B12R0.268 O=C(O)CSCCCSCC(=O)O MCULE-6412986208 [0,0,0,0,0,0|2,0,0]=2 21 B12R0.268 OB(O)CCCCCCCB(O)O MCULE-7198867421 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [1,0,0,0,0,0|1,0,1]=3 23 B11R0.148 C=CCCCCCCCC(=C)C MCULE-4065354989 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [1,0,0,0,0,0|1,0,0]=2 25 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [1,0,0,0,0,0|3,0,0]=4 26 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [1,0,0,0,0,0|2,0,0]=3 28 B11R0.148 C=CCOCCOCCC(=O)O MCULE-8239467569 [1,0,0,0,0,0|3,0,0]=4 29 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,0,0,0,0,0|2,0,1]=4 30 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [1,0,0,0,0,0|2,0,0]=3 31 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [1,0,0,0,0,0|1,0,2]=4 32 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,0,0,0,0,0|2,0,1]=4 33 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [1,0,0,0,0,0|2,0,1]=4 34 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,0,0,0,0,0|2,0,1]=4 36 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,0,0,0,0,0|1,0,1]=3 37 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,0,0,0,0,0|1,0,1]=3 38 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [1,0,0,0,0,0|1,0,2]=4 39 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [1,0,0,0,0,0|1,0,2]=4 40 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,0,0,0,0,0|2,0,1]=4 41 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,0,0,0,0,0|2,0,1]=4 42 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,0,0,0,0,0|2,0,1]=4 43 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,0,0,0,0,0|2,0,1]=4 44 B11R0.148 N#N=NCCCCCCC(=O)O MCULE-5582413457 [1,0,0,0,0,0|3,0,0]=4 45 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,0,0,0,0,0|2,0,1]=4 46 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,0,0,0,0,0|1,0,1]=3 47 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,0,0,0,0,0|1,0,1]=3 48 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,0,0,0,0,0|1,0,1]=3 49 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,0,0,0,0,0|0,0,1]=2 50 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [1,0,0,0,0,0|2,0,1]=4 51 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [1,0,0,0,0,0|0,0,0]=1 52 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [1,0,0,0,0,0|1,0,2]=4 53 B13R0.180 CC(=O)NCCSCCC(N)C(=O)O MCULE-8007592929 [0,1,0,0,0,0|3,0,0]=4 54 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-2990158071 [0,1,0,0,0,0|1,0,0]=2 55 B13R0.180 N[C@@H](CCCCNCC(=O)O)C(=O)O MCULE-8044893771 [0,1,0,0,0,0|1,0,0]=2 56 B13R0.182 O=C(O)CCCNC(=O)CCC(=O)O MCULE-5304270240 [0,1,0,0,0,0|1,0,1]=3 57 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,1,0,0,0,0|2,0,1]=4 58 B13R0.202 COC(=O)CCCCCCCC(=O)O MCULE-2825137842 [0,1,0,0,0,0|0,0,0]=1 59 B13R0.202 COC(=O)CCCCCCCC(C)C MCULE-3325371997 [0,1,0,0,0,0|2,0,1]=4 60 B13R0.1398 CC(C)CCCC(C)CCCC(=O)O MCULE-2954801094 [0,1,0,0,0,0|2,0,1]=4 61 B13R0.1398 O=C(O)CCCC(=O)CCCC(=O)O MCULE-1644298562 [0,1,0,0,0,0|0,0,1]=2 62 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 MCULE-3937421285 [0,0,0,1,0,0|1,0,0]=2 63 B13R1.589 CC(=O)N1CCCCC1CC(=O)O MCULE-5429623351 [0,0,0,1,0,0|2,0,0]=3 64 B13R1.589 O=C(O)CC1=C(CCCC1)C(=O)O MCULE-7255355215 [0,0,0,1,0,0|0,0,2]=3 65 B13R1.589 O=C(O)CC1CCC[NH2+]C1C(=O)O MCULE-4510480803 [0,0,0,1,0,0|1,0,0]=2 66 B13R1.589 O=C(O)CC1CCC[NH2+]C1C(=O)O MCULE-4607989011 [0,0,0,1,0,0|1,0,0]=2 67 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O MCULE-5244297135 [0,0,0,1,0,0|2,0,0]=3 68 B13R1.8832 O=C(O)CN1CCCCCS1(=O)=O MCULE-3091060348 [0,0,0,1,0,0|2,0,1]=4 69 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [0,0,0,0,1,0|2,0,0]=3 70 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [0,0,0,0,1,0|2,0,0]=3 71 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [0,0,0,0,1,0|2,0,0]=3 72 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [0,0,0,0,1,0|2,0,0]=3 73 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [0,0,0,0,1,0|1,0,0]=2 74 B11R0.30 CC(=O)NCCCCCC(=O)Cl MCULE-3079585004 [0,0,0,0,1,0|3,0,0]=4 75 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [0,0,0,0,1,0|2,0,0]=3 76 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [0,0,0,0,1,0|2,0,0]=3 77 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [0,0,0,0,1,0|2,0,1]=4 78 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,0,0,0,1,0|1,0,1]=3 79 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [0,0,0,0,1,0|3,0,0]=4 80 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [0,0,0,0,1,0|3,0,0]=4 81 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-3719990664 [0,0,0,0,1,0|3,0,0]=4 82 B11R0.30 N=C(N)NCCCCCC(=O)O MCULE-6681139380 [0,0,0,0,1,0|3,0,0]=4 83 B11R0.30 NC(=O)NCCCCCC(=O)O MCULE-5723327422 [0,0,0,0,1,0|2,0,0]=3 84 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl MCULE-1634153909 [0,0,0,0,1,0|2,0,0]=3 85 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [0,0,0,0,1,0|0,0,2]=3 86 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [0,0,0,0,1,0|0,0,2]=3 87 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [0,0,0,0,1,0|0,0,0]=1 88 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2095125616 [0,0,0,0,1,0|1,0,0]=2 89 B11R0.30 O=C(O)CCCCNCC(=O)O MCULE-2375984351 [0,0,0,0,1,0|1,0,0]=2 90 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-6189914759 [0,0,0,0,1,0|1,0,0]=2 91 B11R0.30 O=C(O)CCCNCCC(=O)O MCULE-8504773832 [0,0,0,0,1,0|1,0,0]=2 92 B11R0.30 O=C(O)CCSSCCC(=O)O MCULE-3923810057 [0,0,0,0,1,0|2,0,0]=3 93 B11R0.30 O=C(O)CNCCNCC(=O)O MCULE-1432102503 [0,0,0,0,1,0|2,0,0]=3 94 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [0,0,0,0,1,0|2,0,0]=3 95 B11R0.30 O=C(O)CSCCSCC(=O)O MCULE-2894370528 [0,0,0,0,1,0|2,0,0]=3 96 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [0,0,0,0,0,1|2,0,0]=3 97 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,0,0,0,0,1|1,0,0]=2 98 B13R0.179 CC(=O)NCCCCCCNC(=O)C MCULE-8416060174 [0,0,0,0,0,1|3,0,0]=4 99 B13R0.179 CC(=O)OCCCCCCOC(=O)C MCULE-7403372760 [0,0,0,0,0,1|3,0,0]=4 100 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,0,0,0,0,1|2,0,1]=4 101 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,0,0,0,0,1|2,0,1]=4 102 B13R0.179 CC(O)CCCC/C=C/CCC(=O)O MCULE-4184050410 [0,0,0,0,0,1|1,0,2]=4 103 B13R0.179 NC(=O)CCCCCCCCC(=O)N MCULE-4459267910 [0,0,0,0,0,1|2,0,0]=3 104 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [0,0,0,0,0,1|1,0,0]=2 105 B13R0.179 NC(=O)CCCCCCCCC(=O)[O-] MCULE-9835231552 [0,0,0,0,0,1|1,0,1]=3 106 B13R0.179 NC(=O)NCCCCCCNC(=O)N MCULE-8880584847 [0,0,0,0,0,1|3,0,0]=4 107 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl MCULE-1861027504 [0,0,0,0,0,1|2,0,0]=3 108 B13R0.179 O=C(O)/C=C/CCCCCCC(=O)O MCULE-6446076002 [0,0,0,0,0,1|0,0,1]=2 109 B13R0.179 O=C(O)C=CCCCCCCC(=O)O MCULE-3337053306 [0,0,0,0,0,1|0,0,1]=2 110 B13R0.179 O=C(O)CCCC=CCCCC(=O)O MCULE-1881964892 [0,0,0,0,0,1|0,0,1]=2 111 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [0,0,0,0,0,1|0,0,0]=1 112 B13R0.179 O=C(O)CCCSSCCCC(=O)O MCULE-1430087542 [0,0,0,0,0,1|1,0,0]=2 113 B13R0.179 O=C(O)CCNCCNCCC(=O)O MCULE-2722762472 [0,0,0,0,0,1|1,0,0]=2 114 B13R0.179 O=C(O)CCNCCNCCC(=O)O MCULE-5434109073 [0,0,0,0,0,1|1,0,0]=2 115 B13R0.179 O=C(O)CCOCCOCCC(=O)O MCULE-3977979258 [0,0,0,0,0,1|1,0,0]=2 116 B13R0.179 O=C(O)CSCCCCSCC(=O)O MCULE-3409941884 [0,0,0,0,0,1|1,0,0]=2 117 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-6225615294 [0,0,0,0,0,1|0,0,2]=3 118 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-8793407892 [0,0,0,0,0,1|0,0,2]=3 119 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-9026337383 [0,0,0,0,0,1|0,0,2]=3 120 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [2,0,0,0,0,0|0,0,2]=4 121 B10R0.4 C=CCCCCCCC(=O)C MCULE-3952725967 [2,0,0,0,0,0|1,0,1]=4 122 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [2,0,0,0,0,0|0,0,1]=3 123 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [2,0,0,0,0,0|1,0,0]=3 124 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [2,0,0,0,0,0|1,0,1]=4 125 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [2,0,0,0,0,0|1,0,1]=4 126 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [2,0,0,0,0,0|1,0,1]=4 127 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [2,0,0,0,0,0|0,0,1]=3 128 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [2,0,0,0,0,0|0,0,2]=4 129 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [2,0,0,0,0,0|1,0,1]=4 130 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [2,0,0,0,0,0|1,0,1]=4 131 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [2,0,0,0,0,0|1,0,1]=4 132 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [2,0,0,0,0,0|1,0,1]=4 133 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [2,0,0,0,0,0|1,0,1]=4 134 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [2,0,0,0,0,0|1,0,1]=4 135 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [2,0,0,0,0,0|2,0,0]=4 136 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [2,0,0,0,0,0|1,0,0]=3 137 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [2,0,0,0,0,0|1,0,0]=3 138 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [2,0,0,0,0,0|2,0,0]=4 139 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [2,0,0,0,0,0|2,0,0]=4 140 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [2,0,0,0,0,0|2,0,0]=4 141 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [2,0,0,0,0,0|2,0,0]=4 142 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [2,0,0,0,0,0|1,0,0]=3 143 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [2,0,0,0,0,0|0,0,0]=2 144 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [2,0,0,0,0,0|0,1,0]=3 145 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [2,0,0,0,0,0|2,0,0]=4 146 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [2,0,0,0,0,0|0,0,0]=2 147 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [2,0,0,0,0,0|1,0,0]=3 148 B10R0.4 O=N(=O)CCCCCCCO MCULE-6021483764 [2,0,0,0,0,0|1,0,1]=4 149 B10R0.71 C=CCCCCCCCC=C MCULE-5336376495 [2,0,0,0,0,0|2,0,0]=4 150 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [2,0,0,0,0,0|1,0,0]=3 151 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [2,0,0,0,0,0|1,0,1]=4 152 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [2,0,0,0,0,0|1,0,1]=4 153 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [2,0,0,0,0,0|1,0,1]=4 154 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [2,0,0,0,0,0|0,0,2]=4 155 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [1,1,0,0,0,0|1,0,1]=4 156 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [1,1,0,0,0,0|1,0,1]=4 157 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [1,1,0,0,0,0|1,0,1]=4 158 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [1,1,0,0,0,0|1,0,1]=4 159 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [1,1,0,0,0,0|1,0,1]=4 160 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [1,1,0,0,0,0|1,0,1]=4 161 B12R0.184 C=CC(O)CCCCCCC(=O)O MCULE-2198484452 [1,1,0,0,0,0|1,0,0]=3 162 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [1,1,0,0,0,0|1,0,1]=4 163 B12R0.184 O=C(O)CCCCCCC(=O)NO MCULE-8631395600 [1,1,0,0,0,0|1,0,1]=4 164 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [1,1,0,0,0,0|1,0,1]=4 165 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,1,0,0,0,0|1,0,1]=4 166 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [1,1,0,0,0,0|2,0,0]=4 167 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [1,1,0,0,0,0|2,0,0]=4 168 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [1,1,0,0,0,0|2,0,0]=4 169 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,1,0,0,0,0|1,0,0]=3 170 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [1,1,0,0,0,0|1,0,1]=4 171 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [1,1,0,0,0,0|1,0,1]=4 172 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [1,1,0,0,0,0|2,0,0]=4 173 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,1,0,0,0,0|1,0,1]=4 174 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,1,0,0,0,0|1,0,1]=4 175 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,1,0,0,0,0|1,0,1]=4 176 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,1,0,0,0,0|1,0,1]=4 177 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,1,0,0,0,0|1,0,1]=4 178 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,1,0,0,0,0|1,0,1]=4 179 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,1,0,0,0,0|1,0,1]=4 180 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,1,0,0,0,0|1,0,1]=4 181 B12R0.234 N#N=NCCCCCCCC(=O)O MCULE-5693417997 [1,1,0,0,0,0|2,0,0]=4 182 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,1,0,0,0,0|1,0,1]=4 183 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [1,1,0,0,0,0|0,0,2]=4 184 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [1,1,0,0,0,0|0,0,2]=4 185 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,1,0,0,0,0|1,0,1]=4 186 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,1,0,0,0,0|1,0,1]=4 187 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,1,0,0,0,0|0,0,1]=3 188 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [1,1,0,0,0,0|1,0,0]=3 189 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [1,1,0,0,0,0|1,0,1]=4 190 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [1,1,0,0,0,0|1,0,1]=4 191 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [1,1,0,0,0,0|2,0,0]=4 192 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [1,1,0,0,0,0|0,0,0]=2 193 B12R0.248 COC(=O)CCCCCCCCBr MCULE-8360143365 [1,1,0,0,0,0|1,0,1]=4 194 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [1,1,0,0,0,0|0,0,1]=3 195 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-2799345068 [1,1,0,0,0,0|1,0,0]=3 196 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-9903243220 [1,1,0,0,0,0|1,0,0]=3 197 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-2269405644 [1,1,0,0,0,0|1,0,0]=3 198 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-9502690178 [1,1,0,0,0,0|1,0,0]=3 199 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [1,1,0,0,0,0|1,0,1]=4 200 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [1,1,0,0,0,0|1,0,1]=4 201 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [1,1,0,0,0,0|1,0,1]=4 202 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [1,1,0,0,0,0|1,0,1]=4 203 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [1,1,0,0,0,0|1,0,1]=4 204 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [1,1,0,0,0,0|1,0,1]=4 205 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [1,1,0,0,0,0|1,0,1]=4 206 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [1,1,0,0,0,0|1,0,1]=4 207 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [1,1,0,0,0,0|1,0,1]=4 208 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [1,1,0,0,0,0|1,0,1]=4 209 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [1,1,0,0,0,0|1,0,1]=4 210 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [1,1,0,0,0,0|1,0,1]=4 211 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [1,1,0,0,0,0|1,0,1]=4 212 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [1,1,0,0,0,0|1,0,1]=4 213 B12R0.42 CC(=O)C(C)CCCCCC(=O)O MCULE-9391199319 [0,1,0,0,1,0|1,0,0]=3 214 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,1,0,0,1,0|1,0,0]=3 215 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,1,0,0,1,0|1,0,0]=3 216 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,1,0,0,1,0|2,0,0]=4 217 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,1,0,0,1,0|2,0,0]=4 218 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,1,0,0,1,0|2,0,0]=4 219 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,1,0,0,1,0|2,0,0]=4 220 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,1,0,0,1,0|2,0,0]=4 221 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,1,0,0,1,0|2,0,0]=4 222 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,1,0,0,1,0|2,0,0]=4 223 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-5422005056 [0,1,0,0,1,0|2,0,0]=4 224 B12R0.42 NC(=O)NCCCCC(N)C(=O)O MCULE-6598703304 [0,1,0,0,1,0|2,0,0]=4 225 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-6382139330 [0,1,0,0,1,0|2,0,0]=4 226 B12R0.42 NC(=O)NCCCC[C@@H](N)C(=O)O MCULE-7025106309 [0,1,0,0,1,0|2,0,0]=4 227 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7636320216 [0,1,0,0,1,0|2,0,0]=4 228 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O MCULE-7719006708 [0,1,0,0,1,0|2,0,0]=4 229 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,1,0,0,1,0|0,0,0]=2 230 B12R0.42 NC(CSCCCC(=O)O)C(=O)O MCULE-6552348472 [0,1,0,0,1,0|1,0,0]=3 231 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,1,0,0,1,0|0,0,0]=2 232 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,1,0,0,1,0|0,0,0]=2 233 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-1221416102 [0,1,0,0,1,0|1,0,0]=3 234 B12R0.42 N[C@@H](CSCCCC(=O)O)C(=O)O MCULE-2038684739 [0,1,0,0,1,0|1,0,0]=3 235 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,1,0,0,1,0|0,0,0]=2 236 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,1,0,0,1,0|0,0,0]=2 237 B12R0.42 O=C(O)CCCCCC(=O)C(=O)O MCULE-9194508818 [0,1,0,0,1,0|0,0,1]=3 238 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,1,0,0,1,0|2,0,0]=4 239 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O MCULE-3427480404 [0,1,0,0,1,0|1,0,1]=4 240 B12R0.137 NS(=O)(=O)CCCCCCC(=O)O MCULE-5652448966 [0,1,0,0,1,0|1,0,1]=4 241 B12R0.270 CC(=O)NCCC[C@@H](N)CC(=O)O MCULE-4886618146 [0,1,0,0,1,0|2,0,0]=4 242 B14R0.67 O=C(O)CCCCC(=O)NCCC(=O)O MCULE-5445530626 [0,1,0,0,0,1|0,0,1]=3 243 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,1,0,0,0,1|1,0,0]=3 244 B14R0.305 COC(=O)CCCCCCCCC(=O)Cl MCULE-2877186513 [0,1,0,0,0,1|1,0,0]=3 245 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [0,1,0,0,0,1|0,0,0]=2 246 B14R0.305 COC(=O)CCOCCOCCC(=O)O MCULE-4461290467 [0,1,0,0,0,1|1,0,0]=3 247 B14R0.305 NNC(=O)CCCCCCCCC(=O)O MCULE-6662669788 [0,1,0,0,0,1|1,0,0]=3 248 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,1,0,0,0,1|0,0,2]=4 249 B14R0.427 CC(=O)CC(=O)NCCCCCC(=O)O MCULE-3666865777 [0,1,0,0,0,1|1,0,1]=4 250 B14R0.427 O=C(O)CCCCCCC(O)CC(=O)O MCULE-3584480331 [0,1,0,0,0,1|0,0,0]=2 251 B14R0.549 C=C(CCCCCCCC(=O)O)C(=O)O MCULE-3696515751 [0,1,0,0,0,1|0,0,0]=2 252 B14R0.549 NC(CCCCCCCC(=O)O)C(=O)O MCULE-4762996603 [0,1,0,0,0,1|0,0,0]=2 253 B14R0.549 NC(CCSCCCCC(=O)O)C(=O)O MCULE-1871466201 [0,1,0,0,0,1|0,0,0]=2 254 B14R0.549 O=C(O)CCCCCCC[C@@H](O)C(=O)O MCULE-4932955141 [0,1,0,0,0,1|0,0,0]=2 255 B14R0.2680 O=C(O)CCOCCOCCS(=O)(=O)O MCULE-3059657494 [0,1,0,0,0,1|2,0,0]=4 256 B14R0.400 NC(CCOC(=O)CCC(=O)O)C(=O)O MCULE-4631990256 [0,2,0,0,0,0|1,0,1]=4 257 B14R0.400 N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O MCULE-4157995241 [0,2,0,0,0,0|1,0,1]=4 258 B14R0.400 N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O MCULE-9192672799 [0,2,0,0,0,0|1,0,1]=4 259 B14R0.405 CC(CCCCCC(C)C(=O)O)C(=O)O MCULE-1212714477 [0,2,0,0,0,0|0,0,0]=2 260 B14R0.405 CC(NCCCC[C@H](N)C(=O)O)C(=O)O MCULE-7344503385 [0,2,0,0,0,0|1,0,0]=3 261 B14R0.405 CC(NCCCC[C@H](N)C(=O)O)C(=O)O MCULE-7618737686 [0,2,0,0,0,0|1,0,0]=3 262 B14R0.405 NC(CCCCCC(N)C(=O)O)C(=O)O MCULE-1750659514 [0,2,0,0,0,0|0,0,0]=2 263 B14R0.405 NC(CSCSCC(N)C(=O)O)C(=O)O MCULE-2086656116 [0,2,0,0,0,0|2,0,0]=4 264 B14R0.405 N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O MCULE-5648258703 [0,2,0,0,0,0|0,0,0]=2 265 B14R0.405 N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O MCULE-7408503189 [0,2,0,0,0,0|0,0,0]=2 266 B14R0.405 N[C@@H](CCCCNC(=O)C(=O)O)C(=O)O MCULE-5194127015 [0,2,0,0,0,0|1,0,1]=4 267 B14R0.405 N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O MCULE-1066956392 [0,2,0,0,0,0|2,0,0]=4 268 B14R0.405 N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O MCULE-4530619196 [0,2,0,0,0,0|2,0,0]=4 269 B14R0.518 NC(CCCCCCP(=O)(O)O)C(=O)O MCULE-7690975952 [0,2,0,0,0,0|1,0,0]=3 270 B14R0.1437 O=C(O)CCNCP(=O)(O)CCC(=O)O MCULE-6043991453 [0,2,0,0,0,0|2,0,0]=4 271 B14R0.1749 COC(=O)CNC(=O)CCCCC(=O)O MCULE-5783447304 [0,2,0,0,0,0|1,0,1]=4 272 B14R0.197 COC(=O)CCCCCCCC(=O)OC MCULE-3415352484 [0,2,0,0,0,0|0,0,0]=2 273 B14R0.197 COC(=O)CSCCCSCC(=O)OC MCULE-3919549495 [0,2,0,0,0,0|2,0,0]=4 274 B14R0.197 NNC(=O)CCCCCCCC(=O)NN MCULE-3487434958 [0,2,0,0,0,0|2,0,0]=4 275 B14R0.432 CCOC(=O)CCCCCCCC(=O)C MCULE-8382585898 [0,2,0,0,0,0|1,0,0]=3 276 B14R0.432 CCOC(=O)CCCCCCCN(=O)=O MCULE-5806854069 [0,2,0,0,0,0|1,0,1]=4 277 B14R0.2672 CC(C)(SCCC(=O)O)SCCC(=O)O MCULE-9707746693 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [1,0,0,1,0,0|1,0,1]=4 279 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [1,0,0,1,0,0|1,0,1]=4 280 B12R1.75 O=C(O)CN1CCCCC1CO MCULE-9904924658 [1,0,0,1,0,0|1,0,1]=4 281 B12R1.125 CC(=O)OCC1CCCCC1=O MCULE-8211145047 [1,0,0,1,0,0|2,0,0]=4 282 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [1,0,0,1,0,0|2,0,0]=4 283 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [1,0,0,1,0,0|2,0,0]=4 284 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [1,0,0,1,0,0|1,0,1]=4 285 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [1,0,0,1,0,0|1,0,1]=4 286 B12R1.125 O=C(Cl)CCN1CCCCC1=O MCULE-9679609199 [1,0,0,1,0,0|2,0,0]=4 287 B12R1.125 O=C(O)CCC1=CCCCC1=O MCULE-7543238538 [1,0,0,1,0,0|0,0,2]=4 288 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [1,0,0,1,0,0|0,0,0]=2 289 B12R1.125 O=C(O)CCN1CCCCC1=O MCULE-6569100258 [1,0,0,1,0,0|1,0,0]=3 290 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [1,0,0,1,0,0|1,0,1]=4 291 B12R1.130 O=C(O)CCCN1CCCC1=O MCULE-4412423494 [1,0,0,1,0,0|1,0,0]=3 292 B12R1.130 O=C(O)CCCN1CCOC1=O MCULE-4841864955 [1,0,0,1,0,0|2,0,0]=4 293 B12R1.130 O=C(O)CCSC1CCCC1=O MCULE-9295693664 [1,0,0,1,0,0|1,0,0]=3 294 B12R1.141 O=C1CCCCCCCC(=O)O1 MCULE-2456565439 [1,0,0,1,0,0|0,0,0]=2 295 B12R1.210 NC(=O)CN1CCCCCC1=O MCULE-9568515179 [1,0,0,1,0,0|2,0,0]=4 296 B12R1.210 O=C(O)CN1CCCCCC1=O MCULE-8200254471 [1,0,0,1,0,0|1,0,0]=3 297 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-2303513219 [1,0,0,1,0,0|1,0,1]=4 298 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-5336927273 [1,0,0,1,0,0|1,0,1]=4 299 B12R1.212 O=C(O)C1CCCCCCC1=O MCULE-5304671902 [1,0,0,1,0,0|0,0,0]=2 300 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [1,0,0,1,0,0|1,0,1]=4 301 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [1,0,0,1,0,0|1,0,1]=4 302 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [1,0,0,1,0,0|1,0,1]=4 303 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [1,0,0,1,0,0|1,0,1]=4 304 B12R1.252 O=C(O)COCC1CCCCO1 MCULE-4058015104 [1,0,0,1,0,0|1,0,1]=4 305 B12R1.252 O=C(O)CSCC1CCCCO1 MCULE-4195821334 [1,0,0,1,0,0|1,0,1]=4 306 B12R1.255 O=C(O)CCCCC1CCSS1 MCULE-1034910084 [1,0,0,1,0,0|1,1,0]=4 307 B12R1.255 O=C(O)CCCCC1OCCO1 MCULE-2471174890 [1,0,0,1,0,0|1,0,1]=4 308 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-3939318333 [1,0,0,1,0,0|1,1,0]=4 309 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-5119858094 [1,0,0,1,0,0|1,1,0]=4 310 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-3745351545 [1,0,0,1,0,0|1,1,0]=4 311 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-4196115946 [1,0,0,1,0,0|1,1,0]=4 312 B12R1.255 O=C(O)CCOCC1CCCO1 MCULE-6575689085 [1,0,0,1,0,0|1,0,1]=4 313 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [1,0,0,1,0,0|1,0,1]=4 314 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [0,0,0,1,1,0|1,0,0]=3 315 B12R1.261 CC(=O)N1CCCCC1C(=O)O MCULE-9909402121 [0,0,0,1,1,0|2,0,0]=4 316 B12R1.261 NC(=O)C1CCCCC1C(=O)O MCULE-3798252597 [0,0,0,1,1,0|1,0,0]=3 317 B12R1.261 NC(=O)N1CCCCC1C(=O)O MCULE-9551488406 [0,0,0,1,1,0|2,0,0]=4 318 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-7178475126 [0,0,0,1,1,0|1,0,0]=3 319 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-8672445916 [0,0,0,1,1,0|1,0,0]=3 320 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-2394611865 [0,0,0,1,1,0|1,0,0]=3 321 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4597512342 [0,0,0,1,1,0|1,0,0]=3 322 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3656636765 [0,0,0,1,1,0|1,0,0]=3 323 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3887795119 [0,0,0,1,1,0|1,0,0]=3 324 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-4029989910 [0,0,0,1,1,0|1,0,0]=3 325 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-6704294440 [0,0,0,1,1,0|1,0,0]=3 326 B12R1.261 O=C(Cl)C1CCCCC1C(=O)Cl MCULE-7151176665 [0,0,0,1,1,0|2,0,0]=4 327 B12R1.261 O=C(O)C1=C(CCCC1)C(=O)O MCULE-2633452606 [0,0,0,1,1,0|0,0,2]=4 328 B12R1.261 O=C(O)C1CC=CCC1C(=O)O MCULE-8208403883 [0,0,0,1,1,0|0,0,2]=4 329 B12R1.261 O=C(O)C1CCCCC1C(=O)O MCULE-3185409075 [0,0,0,1,1,0|0,0,0]=2 330 B12R1.261 O=C(O)C1CCCCN1C(=O)O MCULE-9397034021 [0,0,0,1,1,0|1,0,0]=3 331 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-3938002780 [0,0,0,1,1,0|1,0,0]=3 332 B12R1.261 O=C(O)C1CCCNC1C(=O)O MCULE-6316865811 [0,0,0,1,1,0|1,0,0]=3 333 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-6895708229 [0,0,0,1,1,0|1,0,0]=3 334 B12R1.261 O=C(O)C1CCNCC1C(=O)O MCULE-8118548559 [0,0,0,1,1,0|1,0,0]=3 335 B12R1.261 O=C(O)C1NCCNC1C(=O)O MCULE-5683104657 [0,0,0,1,1,0|2,0,0]=4 336 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-3658680121 [0,0,0,1,1,0|0,0,2]=4 337 B12R1.261 O=C(O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-5277132939 [0,0,0,1,1,0|0,0,2]=4 338 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4895515726 [0,0,0,1,1,0|0,0,0]=2 339 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4906980900 [0,0,0,1,1,0|0,0,0]=2 340 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-7747323415 [0,0,0,1,1,0|0,0,0]=2 341 B12R1.261 O=C(O)[C@@H]1NCCN[C@H]1C(=O)O MCULE-1130925107 [0,0,0,1,1,0|2,0,0]=4 342 B12R1.261 O=C(O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7062667000 [0,0,0,1,1,0|0,0,2]=4 343 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1184405040 [0,0,0,1,1,0|0,0,0]=2 344 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-3346909877 [0,0,0,1,1,0|0,0,0]=2 345 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9506589203 [0,0,0,1,1,0|0,0,0]=2 346 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-4882537337 [0,0,0,1,1,0|1,0,0]=3 347 B12R1.261 O=C(O)[C@H]1CCCN[C@H]1C(=O)O MCULE-6755541512 [0,0,0,1,1,0|1,0,0]=3 348 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-3174459162 [0,0,0,1,1,0|1,0,0]=3 349 B12R1.261 O=C(O)[C@H]1NCCC[C@H]1C(=O)O MCULE-5812717043 [0,0,0,1,1,0|1,0,0]=3 350 B12R1.392 O=C(O)CN1CCCC1C(=O)O MCULE-3986378820 [0,0,0,1,1,0|1,0,0]=3 351 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [0,0,0,1,1,0|1,0,0]=3 352 B12R1.874 O=C(O)CC1CCCNC(=O)C1 MCULE-2622321919 [0,0,0,1,1,0|2,0,0]=4 353 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [0,0,0,1,1,0|1,0,0]=3 354 B14R1.148 O=C(O)CCCCC1CCNC(=O)N1 MCULE-2708511618 [0,0,0,1,0,1|1,0,0]=3 355 B14R1.4524 CC(=O)NCC1CCCN1CC(=O)O MCULE-5580163177 [0,0,0,1,0,1|2,0,0]=4 356 B14R1.4524 CC(=O)NC[C@@H]1CCCN1CC(=O)O MCULE-4264754943 [0,0,0,1,0,1|2,0,0]=4 357 B14R1.6316 CC(=O)N1CCCC1CNCC(=O)O MCULE-9774521890 [0,0,0,1,0,1|2,0,0]=4 358 B14R1.6316 CC(=O)N1CCCC1COCC(=O)O MCULE-9087969930 [0,0,0,1,0,1|2,0,0]=4 359 B14R1.6316 CC(=O)N1CCC[C@H]1CNCC(=O)O MCULE-9735986320 [0,0,0,1,0,1|2,0,0]=4 360 B14R1.6316 CC(=O)N1CCC[C@H]1COCC(=O)O MCULE-1729984266 [0,0,0,1,0,1|2,0,0]=4 361 B14R1.4379 CC1NC(=O)NC1CCCCC(=O)O MCULE-3287125752 [0,1,0,1,0,0|2,0,0]=4 362 B14R1.6355 NC(=O)CCN1CCCC(C1)C(=O)O MCULE-1047959964 [0,1,0,1,0,0|2,0,0]=4 363 B14R1.16347 CC(=O)N1CCCCCC1(C)C(=O)O MCULE-1207315539 [0,1,0,1,0,0|2,0,0]=4 364 B14R1.129 CC(O)CCC(O)CC1CCC(=O)O1 MCULE-8445888741 [0,1,0,1,0,0|1,0,1]=4 365 B14R1.827 COC(=O)CCCCCCCC1CO1 MCULE-7215534488 [0,1,0,1,0,0|1,0,1]=4 366 B14R1.1025 COC(=O)CCCC1CCCC(=O)C1 MCULE-8528923239 [0,1,0,1,0,0|1,0,0]=3 367 B14R2.300 O=C1CCC2C(C1)CNC2C(=O)O MCULE-3616854265 [0,0,0,2,0,0|2,0,0]=4 368 B14R2.8053 O=C(O)C1NCC2C1C(=O)CCC2 MCULE-5657220890 [0,0,0,2,0,0|2,0,0]=4 369 B10R0.97 C=C(Br)CCCCCC(=O)O MCULE-1129581582 [0,0,0,0,2,0|2,0,0]=4 370 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [0,0,0,0,2,0|2,0,0]=4 371 B10R0.97 C=C(Cl)CCCCCC(=O)O MCULE-6548751857 [0,0,0,0,2,0|2,0,0]=4 372 B10R0.97 CC(=O)CCCCCC(=O)Cl MCULE-9699420066 [0,0,0,0,2,0|2,0,0]=4 373 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [0,0,0,0,2,0|1,0,0]=3 374 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [0,0,0,0,2,0|2,0,0]=4 375 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,0,0,0,2,0|1,0,1]=4 376 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [0,0,0,0,2,0|2,0,0]=4 377 B10R0.97 O=C(Cl)CCCCCC(=O)Cl MCULE-6184277171 [0,0,0,0,2,0|2,0,0]=4 378 B10R0.97 O=C(O)CCCCCC(=O)O MCULE-9618389016 [0,0,0,0,2,0|0,0,0]=2 379 B10R0.97 O=C(O)CCCCCN(=O)=O MCULE-4861594242 [0,0,0,0,2,0|1,0,1]=4 380 B10R0.97 O=C(O)CCNCCC(=O)O MCULE-9497656945 [0,0,0,0,2,0|1,0,0]=3 381 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,2,0|1,0,0]=3 382 B10R0.97 O=C(O)CCSCCC(=O)O MCULE-1300073378 [0,0,0,0,2,0|1,0,0]=3 383 B10R0.97 O=C(O)CSCSCC(=O)O MCULE-7223873834 [0,0,0,0,2,0|2,0,0]=4 384 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,0,0,0,0,2|1,0,0]=3 385 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,0,0,0,0,2|2,0,0]=4 386 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [0,0,0,0,0,2|1,0,0]=3 387 B14R0.68 CC(=O)OCCCCCCCOC(=O)C MCULE-2908159074 [0,0,0,0,0,2|2,0,0]=4 388 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,0,0,0,0,2|1,0,1]=4 389 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [0,0,0,0,0,2|0,0,0]=2 390 B14R0.68 O=C(O)COCCOCCOCC(=O)O MCULE-8730884599 [0,0,0,0,0,2|1,0,0]=3 391 B14R0.68 O=C(O)CSCCCCCSCC(=O)O MCULE-1454500875 [0,0,0,0,0,2|0,0,0]=2