0 B10R1.18 C=C(Br)CN1CCCCC1 MCULE-2529486953 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 C=C(Br)CN1CCCCC1 MCULE-3943310639 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 C=C(Br)CN1CCOCC1 MCULE-5686361785 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 C=C(Br)CN1CCOCC1 MCULE-5694887102 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 C=C(Br)CN1CCSCC1 MCULE-1011445793 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.18 C=C(C)CN1CCNCC1 MCULE-8957655701 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(=O)C=C1CCCCC1 MCULE-8551739363 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3381787603 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3485224360 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.18 CC(=O)CC1CCOCC1 MCULE-6845890561 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 CC(=O)CN1CCCCC1 MCULE-2519145455 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 CC(=O)CN1CCCCC1 MCULE-8358959341 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 CC(=O)CN1CCNCC1 MCULE-1332138521 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 CC(=O)CN1CCNCC1 MCULE-9865179801 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.18 CC(=O)CN1CCOCC1 MCULE-8273041201 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.18 CC(=O)NC1CCCCC1 MCULE-8353778142 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.18 CC(=O)NC1CCNCC1 MCULE-7572445106 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.18 CC(=O)NC1CCNCC1 MCULE-8162462660 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.18 CC(=O)NC1CCOCC1 MCULE-8194699174 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.18 CC(=O)OC1CCCCC1 MCULE-8221153491 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.18 CC(=O)OC1CCNCC1 MCULE-3223270695 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4522205472 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4714651381 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.18 CC(C)CN1CCCCC1 MCULE-1918001601 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.18 CC(C)CN1CCNCC1 MCULE-4293456667 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 CC(C)CN1CCNCC1 MCULE-7376527085 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.18 CC(C)CN1CCOCC1 MCULE-4216530890 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.18 CC(Cl)CN1CCCCC1 MCULE-4788651047 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.18 CC(N)CC1CCOCC1 MCULE-2681712745 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.18 CC(N)CN1CCCCC1 MCULE-6084714204 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.18 CC(N)CN1CCNCC1 MCULE-3371388243 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.18 CC(N)CN1CCNCC1 MCULE-6744943737 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.18 CC(N)CN1CCOCC1 MCULE-6557372892 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.18 CC(N)CN1CCOCC1 MCULE-9259164018 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.18 CC(O)CC1CCNCC1 MCULE-1313929313 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.18 CC(O)CC1CCNCC1 MCULE-5363721367 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.18 CC(O)CC1CCOCC1 MCULE-9609138177 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.18 CC(O)CN1CCCCC1 MCULE-1185747422 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.18 CC(O)CN1CCNCC1 MCULE-3681373015 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.18 CC(O)CN1CCNCC1 MCULE-7358163109 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.18 CC(O)CN1CCOCC1 MCULE-6250239208 [0,0,0,0,0,0|1,0,1]=2 48 B10R1.18 C[C@@H](O)CC1CCCCC1 MCULE-4273662766 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.18 C[C@@H](O)CN1CCNCC1 MCULE-5816353399 [0,0,0,0,0,0|2,0,1]=3 50 B10R1.18 C[C@@H](O)CN1CCNCC1 MCULE-7652524716 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.18 C[C@@H](O)CN1CCNCC1 MCULE-9471496410 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.18 C[C@H](N)CN1CCCCC1 MCULE-9604349793 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.18 C[C@H](N)CN1CCOCC1 MCULE-9058424667 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.18 C[C@H](O)CC1CCCCC1 MCULE-7528064890 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.18 FC(F)CN1CCNCC1 MCULE-2746178620 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.18 FC(F)CN1CCNCC1 MCULE-7487965506 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.18 FC(F)CN1CCNCC1 MCULE-7649716332 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.18 N=C(N)CC1CCCCC1 MCULE-8473334050 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.18 N=C(N)CC1CCCCC1 MCULE-9393856468 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.18 N=C(N)CN1CCOCC1 MCULE-2793241641 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.18 N=C(N)CN1CCOCC1 MCULE-4715070332 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.18 NC(=O)CC1CCCCN1 MCULE-2185479052 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.18 NC(=O)CC1CCCCN1 MCULE-4538477610 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9261260462 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9756580933 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4391382932 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4639158092 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.18 NC(=O)CC1CCOCC1 MCULE-6220113088 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.18 NC(=O)CN1CCCCC1 MCULE-5267943459 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.18 NC(=O)CN1CCNCC1 MCULE-6461649697 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.18 NC(=O)CN1CCNCC1 MCULE-8801345143 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.18 NC(=O)CN1CCNCC1 MCULE-9918766710 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.18 NC(=O)CN1CCOCC1 MCULE-3991718253 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.18 NC(=O)CN1CCSCC1 MCULE-5201971784 [0,0,0,0,0,0|1,1,0]=2 76 B10R1.18 NC(=O)NC1CCCCC1 MCULE-8036346010 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.18 NC(=O)NC1CCNCC1 MCULE-6399383870 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.18 NC(=O)NC1CCNCC1 MCULE-6486575063 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.18 NC(=O)NC1CCOCC1 MCULE-4139742761 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.18 NC(=O)OC1CCCCC1 MCULE-3235010863 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.18 NC(=O)OC1CCOCC1 MCULE-5947388770 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.18 NC(=S)CC1CCCCC1 MCULE-2529176221 [0,0,0,0,0,0|3,1,0]=4 83 B10R1.18 NC(=S)CN1CCCCC1 MCULE-2487691046 [0,0,0,0,0,0|2,1,0]=3 84 B10R1.18 NC(=S)CN1CCOCC1 MCULE-6537578900 [0,0,0,0,0,0|1,1,0]=2 85 B10R1.18 NC(=S)NC1CCOCC1 MCULE-2166021989 [0,0,0,0,0,0|3,1,0]=4 86 B10R1.18 O=C(Cl)C=C1CCCCC1 MCULE-2919809771 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.18 O=C(Cl)CC1CCOCC1 MCULE-6068907888 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.18 O=C(Cl)OC1CCCCC1 MCULE-4011557961 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.18 O=C(Cl)OC1CCOCC1 MCULE-5361190443 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [0,0,0,0,0,0|2,0,1]=3 92 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-2946232230 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-9183556093 [0,0,0,0,0,0|2,0,1]=3 94 B10R1.18 O=C(O)C=C1CCOCC1 MCULE-2596143817 [0,0,0,0,0,0|1,0,1]=2 95 B10R1.18 O=C(O)C=C1CCSCC1 MCULE-3222993494 [0,0,0,0,0,0|1,1,1]=3 96 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [0,0,0,0,0,0|1,0,1]=2 98 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [0,0,0,0,0,0|2,0,2]=4 99 B10R1.18 O=C(O)CC1CC=CCC1 MCULE-3427584067 [0,0,0,0,0,0|2,0,1]=3 100 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [0,0,0,0,0,0|1,0,0]=1 110 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [0,0,0,0,0,0|1,1,0]=2 111 B10R1.18 O=C(O)CC1CNCCN1 MCULE-5141588986 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [0,0,0,0,0,0|4,0,0]=4 113 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.18 O=C(O)CC1COCCN1 MCULE-4486190659 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.18 O=C(O)CC1COCCN1 MCULE-8010316572 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [0,0,0,0,0,0|1,0,0]=1 122 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [0,0,0,0,0,0|1,0,0]=1 123 B10R1.18 O=C(O)CN1CCNCC1 MCULE-4945447446 [0,0,0,0,0,0|1,0,0]=1 124 B10R1.18 O=C(O)CN1CCNCC1 MCULE-6990903527 [0,0,0,0,0,0|1,0,0]=1 125 B10R1.18 O=C(O)CN1CCNCC1 MCULE-8811795576 [0,0,0,0,0,0|1,0,0]=1 126 B10R1.18 O=C(O)CN1CCOCC1 MCULE-2955270234 [0,0,0,0,0,0|0,0,0]=0 127 B10R1.18 O=C(O)CN1CCOCC1 MCULE-5710414541 [0,0,0,0,0,0|0,0,0]=0 128 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9107067895 [0,0,0,0,0,0|0,1,0]=1 129 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9299535292 [0,0,0,0,0,0|0,1,0]=1 130 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 MCULE-6316447839 [0,0,0,0,0,0|2,0,1]=3 131 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [0,0,0,0,0,0|3,0,0]=3 133 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [0,0,0,0,0,0|3,0,0]=3 135 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [0,0,0,0,0,0|3,0,0]=3 136 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [0,0,0,0,0,0|3,0,0]=3 137 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-2046760558 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-4473145834 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-5100169676 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [0,0,0,0,0,0|3,0,0]=3 147 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [0,0,0,0,0,0|3,0,0]=3 148 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-8571286067 [0,0,0,0,0,0|4,0,0]=4 156 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-9555376320 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.18 O=P(O)CN1CCCCC1 MCULE-5899780033 [0,0,0,0,0,0|2,0,0]=2 159 B10R1.18 O=P([O-])CN1CCCCC1 MCULE-3993711100 [0,0,0,0,0,0|2,0,1]=3 160 B10R1.18 OB(O)CC1CCCCC1 MCULE-6141319242 [0,0,0,0,0,0|3,0,1]=4 161 B10R1.18 OB(O)CC1CCOCC1 MCULE-1164714789 [0,0,0,0,0,0|2,0,1]=3 162 B10R1.18 OC(O)CN1CCOCC1 MCULE-6836134327 [0,0,0,0,0,0|0,0,2]=2 163 B10R1.18 OC(O)CN1CCOCC1 MCULE-8993003944 [0,0,0,0,0,0|0,0,2]=2 164 B9R1.8 BrCCC1CCOCC1 MCULE-4291105264 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.8 BrCCN1CCCCC1 MCULE-1576488740 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.8 BrCCN1CCCCC1 MCULE-5686542858 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.8 BrCCN1CCNCC1 MCULE-1738402206 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.8 BrCCN1CCNCC1 MCULE-3245198207 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.8 BrCCN1CCNCC1 MCULE-6280506116 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.8 BrCCN1CCOCC1 MCULE-6054727797 [1,0,0,0,0,0|1,0,1]=3 171 B9R1.8 BrCCN1CCOCC1 MCULE-7883785504 [1,0,0,0,0,0|1,0,1]=3 172 B9R1.8 BrCCN1CCOCC1 MCULE-8762267351 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.8 C#CCN1CCCCC1 MCULE-7518578660 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.8 C#CCN1CCNCC1 MCULE-1040615515 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.8 C#CCN1CCNCC1 MCULE-3411324830 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.8 C#CCN1CCOCC1 MCULE-3163423506 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.8 C#CCN1CCSCC1 MCULE-4929098717 [1,0,0,0,0,0|1,1,1]=4 178 B9R1.8 C=CCC1CCCCC1 MCULE-6299666608 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.8 C=CCC1CCNCC1 MCULE-5289509925 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.8 C=CCN1CCCCC1 MCULE-4754989184 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.8 C=CCN1CCNCC1 MCULE-5092301562 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.8 C=CCN1CCNCC1 MCULE-6048201086 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.8 C=CCN1CCOCC1 MCULE-8515282827 [1,0,0,0,0,0|1,0,0]=2 184 B9R1.8 CCCN1CCCCC1 MCULE-1219970936 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.8 CCCN1CCCCC1 MCULE-1933753818 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.8 CCCN1CCNCC1 MCULE-6448911998 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.8 CCCN1CCNCC1 MCULE-7547775138 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.8 CCCN1CCNCC1 MCULE-9065536618 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.8 CCCN1CCOCC1 MCULE-4877240053 [1,0,0,0,0,0|1,0,1]=3 190 B9R1.8 CNCC1CCOCC1 MCULE-1288974367 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.8 CNCC1CCOCC1 MCULE-4562772399 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.8 ClCCC1CCOCC1 MCULE-3173642012 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.8 ClCCN1CCCCC1 MCULE-1776788397 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.8 ClCCN1CCCCC1 MCULE-6642251535 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.8 ClCCN1CCNCC1 MCULE-2587229003 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.8 ClCCN1CCNCC1 MCULE-4877204369 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.8 ClCCN1CCNCC1 MCULE-6033677873 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.8 ClCCN1CCOCC1 MCULE-2289729308 [1,0,0,0,0,0|1,0,1]=3 199 B9R1.8 ClCCN1CCOCC1 MCULE-2395544337 [1,0,0,0,0,0|1,0,1]=3 200 B9R1.8 ClCCN1CCSCC1 MCULE-3205616456 [1,0,0,0,0,0|1,1,1]=4 201 B9R1.8 ClCCN1CCSCC1 MCULE-7711814082 [1,0,0,0,0,0|1,1,1]=4 202 B9R1.8 FCCN1CCNCC1 MCULE-2181425049 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.8 FCCN1CCNCC1 MCULE-3848303582 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.8 FCCN1CCNCC1 MCULE-4339769987 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.8 ICCC1CCOCC1 MCULE-5007120840 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.8 ICCN1CCOCC1 MCULE-1316778081 [1,0,0,0,0,0|1,0,1]=3 207 B9R1.8 ICCN1CCOCC1 MCULE-2426991105 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.8 N#CCC1CCOCC1 MCULE-9273968150 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.8 N#CCN1CCCCC1 MCULE-4666790939 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.8 N#CCN1CCNCC1 MCULE-3692187335 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.8 N#CCN1CCNCC1 MCULE-7985890522 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.8 N#CCN1CCNCC1 MCULE-9081818219 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.8 N#CCN1CCOCC1 MCULE-6249013430 [1,0,0,0,0,0|1,0,1]=3 214 B9R1.8 N#CCN1CCSCC1 MCULE-8901952665 [1,0,0,0,0,0|1,1,1]=4 215 B9R1.8 NCCC1CCOCC1 MCULE-3307341350 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.8 NCCC1CCOCC1 MCULE-4280882062 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.8 NCCN1CCCCC1 MCULE-2805214779 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.8 NCCN1CCCCC1 MCULE-8551893283 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.8 NCCN1CCNCC1 MCULE-5452598420 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.8 NCCN1CCOCC1 MCULE-2887166131 [1,0,0,0,0,0|1,0,1]=3 221 B9R1.8 NCCN1CCOCC1 MCULE-8838328145 [1,0,0,0,0,0|1,0,1]=3 222 B9R1.8 NCCN1CCSCC1 MCULE-7362829034 [1,0,0,0,0,0|1,1,1]=4 223 B9R1.8 NCCN1CCSCC1 MCULE-9771987434 [1,0,0,0,0,0|1,1,1]=4 224 B9R1.8 NCCN1CCSCC1 MCULE-9791888326 [1,0,0,0,0,0|1,1,1]=4 225 B9R1.8 NNCC1CCOCC1 MCULE-3206354177 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.8 NNCC1CCOCC1 MCULE-5861098515 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.8 NNCC1CCOCC1 MCULE-7403700416 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.8 NOCC1CCOCC1 MCULE-4340343308 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.8 NOCC1CCOCC1 MCULE-6343396872 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.8 O=C=NC1CCOCC1 MCULE-4026066000 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.8 O=CCC1CCCCC1 MCULE-1210709345 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.8 O=CCC1CCCCO1 MCULE-5585343100 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.8 O=CCC1CCCOC1 MCULE-5934314566 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.8 O=CCC1CCOCC1 MCULE-2547340776 [1,0,0,0,0,0|1,0,0]=2 235 B9R1.8 O=CCN1CCCCC1 MCULE-1236885034 [1,0,0,0,0,0|1,0,0]=2 236 B9R1.8 O=CCN1CCOCC1 MCULE-7215320928 [1,0,0,0,0,0|0,0,0]=1 237 B9R1.8 O=CCN1CCOCC1 MCULE-7374408534 [1,0,0,0,0,0|0,0,0]=1 238 B9R1.8 O=CNC1CCCCC1 MCULE-5868381758 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.8 O=CNC1CCOCC1 MCULE-2081920027 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.8 OCCC1=CCOCC1 MCULE-5767637910 [1,0,0,0,0,0|1,0,2]=4 241 B9R1.8 OCCC1CCCCC1 MCULE-1419875265 [1,0,0,0,0,0|2,0,1]=4 242 B9R1.8 OCCC1CCNCC1 MCULE-4733455288 [1,0,0,0,0,0|2,0,1]=4 243 B9R1.8 OCCC1CCNCC1 MCULE-8781109111 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.8 OCCC1CCOCC1 MCULE-2699930826 [1,0,0,0,0,0|1,0,1]=3 245 B9R1.8 OCCN1CCCCC1 MCULE-5210318838 [1,0,0,0,0,0|1,0,1]=3 246 B9R1.8 OCCN1CCCCC1 MCULE-6060210408 [1,0,0,0,0,0|1,0,1]=3 247 B9R1.8 OCCN1CCCCO1 MCULE-3704734263 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.8 OCCN1CCNCC1 MCULE-7497741827 [1,0,0,0,0,0|1,0,1]=3 249 B9R1.8 OCCN1CCOCC1 MCULE-4008383485 [1,0,0,0,0,0|0,0,1]=2 250 B9R1.8 OCCN1CCSCC1 MCULE-5257909195 [1,0,0,0,0,0|0,1,1]=3 251 B9R1.8 ON=CC1CCOCC1 MCULE-2877280296 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.8 ON=CC1CCOCC1 MCULE-6388122485 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.8 SCCN1CCCCC1 MCULE-5583235881 [1,0,0,0,0,0|1,1,1]=4 254 B9R1.8 SCCN1CCOCC1 MCULE-4185702196 [1,0,0,0,0,0|0,1,1]=3 255 B11R1.20 C=C(C)CN1CCC(CC1)N MCULE-4613148519 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.20 CC(=O)CN1CCN(CC1)C MCULE-8603180643 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.20 CC(O)CN1CCN(CC1)C MCULE-4254569962 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 CC1CCC(=CC(=O)O)CC1 MCULE-3219235277 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.20 CC1CCC(CC1)CC(=O)O MCULE-4709512543 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.20 CC1CCN(CC1)CC(=O)N MCULE-1527061376 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.20 CC1CCN(CC1)CC(=O)O MCULE-3374231759 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.20 CC1CCN(CC1)CC(=O)O MCULE-5790933306 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.20 CN1CCC(=CC(=O)O)CC1 MCULE-7770881380 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.20 CN1CCC(CC1)CC(=O)O MCULE-5663210558 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.20 CN1CCC(CC1)CC(=O)O MCULE-8825370932 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.20 CN1CCN(CC1)CC(=O)Cl MCULE-5255170662 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.20 CN1CCN(CC1)CC(=O)Cl MCULE-7916351490 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.20 CN1CCN(CC1)CC(=O)N MCULE-1831372857 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.20 CN1CCN(CC1)CC(=O)O MCULE-1850585518 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.20 CN1CCN(CC1)CC(=O)O MCULE-9524671097 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.20 CN1CCN(CC1)CC(=S)N MCULE-9237723686 [0,1,0,0,0,0|2,1,0]=4 272 B11R1.20 CN1CCN(CC1)CC(O)O MCULE-7007032139 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.20 CN1CCN(CC1)CC(O)O MCULE-7560181999 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.20 C[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-6731009022 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.20 NC(=O)CN1CCC(CC1)N MCULE-4701500422 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.20 NC(=O)CN1CCC(CC1)N MCULE-7702620673 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.20 NC(=O)C[C@H]1CC[C@@H](CC1)N MCULE-3811015580 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.20 NC(=O)C[C@H]1CC[C@@H](CC1)N MCULE-5508464432 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.20 NC1CCC(CC1)CC(=O)O MCULE-7784789459 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.20 NC1CCN(CC1)CC(=O)O MCULE-1681948264 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.20 NC1CCN(CC1)CC(=O)O MCULE-3213132372 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.20 NC1CCN(CC1)CC(=O)O MCULE-6377882759 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-2303304803 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-5990177555 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.20 N[C@H]1CC[C@H](CC1)CC(=O)O MCULE-4302933877 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.20 N[C@H]1CC[C@H](CC1)CC(=O)O MCULE-7773137329 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.20 O=C(O)CC1CCC(CC1)Cl MCULE-8089546058 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.20 O=C(O)CC1CCC(CC1)O MCULE-4327900578 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-3025420805 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-8201873344 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.20 O=C(O)CN1CCC(CC1)Br MCULE-2602154230 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.20 O=C(O)CN1CCC(CC1)Cl MCULE-1319189371 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.20 O=C(O)CN1CCC(CC1)I MCULE-9445005892 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.20 O=C(O)CN1CCC(CC1)O MCULE-6234398101 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.20 O=C(O)CN1CCS(=O)CC1 MCULE-4159908098 [0,1,0,0,0,0|0,1,0]=2 298 B11R1.20 O=C(O)CN1CCS(=O)CC1 MCULE-5929217452 [0,1,0,0,0,0|0,1,0]=2 299 B11R1.20 O=C(O)CN1CNC(=S)NC1 MCULE-5634316864 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O MCULE-4456637498 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.20 O=C(O)C[C@H]1CC[C@H](CC1)O MCULE-7150660975 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.20 [NH3+]C1CCC(CC1)CC(=O)O MCULE-6083129512 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.36 C=C(C)C(=O)N1CCOCC1 MCULE-2767714173 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.36 CC(=C1CCCCC1)C(=O)O MCULE-5916603018 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.36 CC(=O)C(C)C1CCCCC1 MCULE-9060961966 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.36 CC(C(=O)N)N1CCNCC1 MCULE-5333833028 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.36 CC(C(=O)N)N1CCNCC1 MCULE-6377970861 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.36 CC(C(=O)O)C1CCCCC1 MCULE-7073762782 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-1056232308 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-9936644185 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.36 CC(C(=O)O)C1CCOCC1 MCULE-2495920353 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-8781256011 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-9082142746 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-6010830962 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-8464051315 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-1520669906 [0,1,0,0,0,0|0,0,0]=1 317 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-7353526707 [0,1,0,0,0,0|0,0,0]=1 318 B11R1.36 CC(C(=O)O)N1CCSCC1 MCULE-2059812396 [0,1,0,0,0,0|0,1,0]=2 319 B11R1.36 CC(C(=O)[O-])N1CCOCC1 MCULE-4536702716 [0,1,0,0,0,0|0,0,1]=2 320 B11R1.36 CC(N)C(C)N1CCOCC1 MCULE-2849331619 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.36 CC(O)C(=O)N1CCOCC1 MCULE-4172150295 [0,1,0,0,0,0|1,0,2]=4 322 B11R1.36 CC(O)C(C)N1CCCCC1 MCULE-2504110554 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.36 CN(C(=O)Cl)C1CCOCC1 MCULE-8252927213 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.36 CN(C(=O)Cl)N1CCNCC1 MCULE-7248212707 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.36 CN(C(=O)Cl)N1CCNCC1 MCULE-9240601944 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.36 C[C@@H](C(=O)O)C1CCCCC1 MCULE-1380670662 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-4192983391 [0,1,0,0,0,0|0,0,0]=1 328 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-7822882349 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9325871598 [0,1,0,0,0,0|0,0,0]=1 330 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9501602403 [0,1,0,0,0,0|0,0,0]=1 331 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 MCULE-6704404403 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-2246254781 [0,1,0,0,0,0|0,0,0]=1 333 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-7398324122 [0,1,0,0,0,0|0,0,0]=1 334 B11R1.36 NC(=O)C(=O)N1CCNCC1 MCULE-1055237795 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.36 NC(=O)C(=O)N1CCNCC1 MCULE-5082185505 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.36 NC(=O)C(=S)N1CCOCC1 MCULE-6428608308 [0,1,0,0,0,0|1,0,1]=3 337 B11R1.36 NC(=O)C(F)C1CCNCC1 MCULE-2473361458 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.36 NC(=O)C(F)C1CCNCC1 MCULE-7580412332 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.36 NC(=O)C(N)C1CCCCC1 MCULE-4289358018 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.36 NC(=O)C(O)C1CCOCC1 MCULE-9262690898 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.36 NC(=S)C(=S)N1CCOCC1 MCULE-5302434675 [0,1,0,0,0,0|1,1,1]=4 342 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-3326635011 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-5860428330 [0,1,0,0,0,0|1,0,0]=2 353 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-9241993616 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4067475583 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4605949678 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-7160845829 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-8127248642 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-2693360453 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-5518278339 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-9024352263 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.36 O=C(O)C(=C1CCCCC1)F MCULE-3891003655 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.36 O=C(O)C(=O)C1CCCCC1 MCULE-8959024132 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.36 O=C(O)C(=O)C1CCOCC1 MCULE-3496647241 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.36 O=C(O)C(=O)N1CCCCC1 MCULE-8703593629 [0,1,0,0,0,0|1,0,1]=3 375 B11R1.36 O=C(O)C(=O)N1CCNCC1 MCULE-7844180297 [0,1,0,0,0,0|1,0,1]=3 376 B11R1.36 O=C(O)C(=O)N1CCOCC1 MCULE-7008630181 [0,1,0,0,0,0|0,0,1]=2 377 B11R1.36 O=C(O)C(F)C1CCCCC1 MCULE-1489080540 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.36 O=C(O)C(F)C1CCOCC1 MCULE-4691952590 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.36 O=C(O)C(O)C1CCCCC1 MCULE-1137791149 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-1767872209 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-6745265789 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.36 O=C(O)C(O)C1CCOCC1 MCULE-5923962415 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-2724503390 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-6659758826 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.36 O=C(O)[C@@H](O)C1CCOCC1 MCULE-6979522096 [0,1,0,0,0,0|1,0,0]=2 386 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-2949323528 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-3804932181 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.40 C=C(C#N)CN1CCCCC1 MCULE-7827711255 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.40 C=CC(O)CC1CCOCC1 MCULE-2978231355 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.40 CC(=NO)CN1CCCCC1 MCULE-7291912226 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.40 CC(=NO)CN1CCOCC1 MCULE-1804441920 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.40 CC(C#N)CN1CCOCC1 MCULE-2964731352 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.40 CC(C=O)CC1CCOCC1 MCULE-6964561454 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.40 CC(CBr)CN1CCOCC1 MCULE-3814933868 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.40 CC(CBr)CN1CCOCC1 MCULE-9871733575 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.40 CC(CN)CN1CCOCC1 MCULE-5592761865 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.40 CC(CO)CC1CCOCC1 MCULE-4998013729 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.40 CC(CO)CN1CCCCC1 MCULE-3743748086 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.40 CC(CO)CN1CCOCC1 MCULE-5378895649 [0,1,0,0,0,0|1,0,1]=3 407 B11R1.40 CC=C(C)CN1CCOCC1 MCULE-2380375742 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.40 CCC(=O)CC1CCCCC1 MCULE-4548371264 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.40 CCC(N)CN1CCOCC1 MCULE-1948825718 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.40 CCC(N)CN1CCOCC1 MCULE-6860158238 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.40 CCC(O)CN1CCOCC1 MCULE-8909548791 [0,1,0,0,0,0|1,0,1]=3 412 B11R1.40 CNC(=O)CC1CCCCC1 MCULE-6265234454 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.40 CNC(=O)CC1CCNCC1 MCULE-3436608285 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.40 CNC(=O)CC1CCNCC1 MCULE-4635496626 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.40 CNC(=O)CC1CCOCC1 MCULE-5999973363 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.40 CNC(=O)CN1CCNCC1 MCULE-6419932106 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.40 CNC(=O)CN1CCNCC1 MCULE-6840547434 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.40 CNC(=O)CN1CCOCC1 MCULE-8364864624 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.40 CNC(=S)NN1CCOCC1 MCULE-5395445028 [0,1,0,0,0,0|2,1,0]=4 420 B11R1.40 CNC(C)CN1CCOCC1 MCULE-6490513715 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.40 COC(=O)C=C1CCCCC1 MCULE-4895716264 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.40 COC(=O)C=C1CCOCC1 MCULE-8966074278 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.40 COC(=O)C=C1CCSCC1 MCULE-4860035890 [0,1,0,0,0,0|1,1,1]=4 424 B11R1.40 COC(=O)CC1CCCCC1 MCULE-4749534991 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.40 COC(=O)CC1CCCCN1 MCULE-1659624694 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.40 COC(=O)CC1CCCCN1 MCULE-5592891926 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.40 COC(=O)CC1CCCNC1 MCULE-2894207855 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.40 COC(=O)CC1CCCNC1 MCULE-8539590471 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.40 COC(=O)CC1CCNCC1 MCULE-4818273917 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.40 COC(=O)CC1CCNCC1 MCULE-6454857791 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.40 COC(=O)CC1CCOCC1 MCULE-8506370541 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.40 COC(=O)CC1CCSCC1 MCULE-2405303650 [0,1,0,0,0,0|1,1,0]=3 433 B11R1.40 COC(=O)CN1CCNCC1 MCULE-2924920584 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.40 COC(=O)CN1CCNCC1 MCULE-8392762779 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.40 COC(=O)CN1CCNCC1 MCULE-9092923320 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.40 COC(=O)CN1CCOCC1 MCULE-4150127605 [0,1,0,0,0,0|0,0,0]=1 437 B11R1.40 COC(=O)CN1CCOCC1 MCULE-6948035486 [0,1,0,0,0,0|0,0,0]=1 438 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3033016054 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3350930478 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8139225473 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8627301252 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.40 COC(=O)C[C@H]1CCCCN1 MCULE-4319190168 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.40 COC(=O)C[C@H]1CCCCN1 MCULE-9265663838 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-1720030033 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-6508778923 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8131066241 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8434859537 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.40 COC(=O)NC1CCCCC1 MCULE-4935299070 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.40 COC(=O)NC1CCNCC1 MCULE-8108415339 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.40 COC(=O)NC1CCNCC1 MCULE-8590745688 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.40 N/C(=N/O)/CN1CCCCC1 MCULE-6688929543 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.40 N/C(=N\O)/CN1CCOCC1 MCULE-8484678848 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.40 N/C(=N\O)/CN1CCSCC1 MCULE-3808786349 [0,1,0,0,0,0|1,1,0]=3 454 B11R1.40 NC(CO)CC1CCOCC1 MCULE-5607116203 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.40 NC(CO)CN1CCCCC1 MCULE-1973513857 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.40 NC(CO)CN1CCCCC1 MCULE-9613799240 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.40 NC(CO)CN1CCOCC1 MCULE-2044997045 [0,1,0,0,0,0|1,0,1]=3 458 B11R1.40 NC(CO)CN1CCOCC1 MCULE-8287427942 [0,1,0,0,0,0|1,0,1]=3 459 B11R1.40 NCC(=O)CC1CCCCC1 MCULE-4965369909 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.40 NCC(=O)CC1CCCCC1 MCULE-5949367391 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.40 NCC(O)CN1CCCCC1 MCULE-6375121843 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.40 NCC(O)CN1CCOCC1 MCULE-4103775287 [0,1,0,0,0,0|1,0,1]=3 463 B11R1.40 NC[C@@H](O)CN1CCCCC1 MCULE-8632677540 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.40 NC[C@@H](O)CN1CCCCC1 MCULE-8670957212 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.40 NC[C@@H](O)CN1CCOCC1 MCULE-8182192710 [0,1,0,0,0,0|1,0,1]=3 466 B11R1.40 NC[C@H](O)CN1CCCCC1 MCULE-2669625296 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.40 NC[C@H](O)CN1CCCCC1 MCULE-9216441178 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.40 NC[C@H](O)CN1CCOCC1 MCULE-1194361625 [0,1,0,0,0,0|1,0,1]=3 469 B11R1.40 NC[C@H](O)CN1CCOCC1 MCULE-9083423408 [0,1,0,0,0,0|1,0,1]=3 470 B11R1.40 NNC(=O)CC1CCCCC1 MCULE-2424968160 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.40 NNC(=O)CC1CCNCC1 MCULE-2494269659 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.40 NNC(=O)CC1CCNCC1 MCULE-9872606857 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.40 NNC(=O)CN1CCCCC1 MCULE-7088783102 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.40 NNC(=O)CN1CCOCC1 MCULE-2975297792 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.40 O/N=C(\Cl)/CC1CCCCC1 MCULE-8496105670 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.40 O=C(CBr)NC1CCOCC1 MCULE-8867690414 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.40 O=C(CCl)NC1CCOCC1 MCULE-7457462171 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.40 O=C(CO)NC1CCCCC1 MCULE-5032379156 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.40 OCC(O)CN1CCCCC1 MCULE-6175373474 [0,1,0,0,0,0|1,0,2]=4 480 B11R1.40 OCC(O)CN1CCNCC1 MCULE-6539636041 [0,1,0,0,0,0|1,0,2]=4 481 B11R1.40 OCC(O)CN1CCOCC1 MCULE-3216890500 [0,1,0,0,0,0|0,0,2]=3 482 B11R1.86 CC(=O)CN1CCCCC1C MCULE-6918556290 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.86 CC(N)CN1CCOCC1C MCULE-5169548734 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.86 CC(O)CN1CCCCC1C MCULE-5130807894 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.86 CC1CCCCC1CC(=O)N MCULE-3919731608 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.86 CC1CCCCN1CC(=O)N MCULE-2830131206 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.86 CC1CCCCN1CC(=O)O MCULE-6978091572 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.86 CC1CCCCN1CC(=O)O MCULE-8958981548 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.86 CC1CNCCC1CC(=O)O MCULE-7212738787 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.86 CC1CNCCN1CC(=O)O MCULE-5720133491 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.86 CC1CNCCN1CC(=O)O MCULE-8861054343 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.86 CN1CCCCC1CC(=O)O MCULE-3316980419 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.86 CN1CCCCC1CC(=O)O MCULE-8860551772 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-1627398404 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-6677242580 [0,1,0,0,0,0|1,0,0]=2 499 B11R1.86 NC(=O)CN1CCCCC1=O MCULE-5240363696 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.86 NC(=O)CN1CCNCC1=O MCULE-5666648477 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.86 NC(=O)CN1CCNCC1=O MCULE-7550699579 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.86 NC(=O)CN1CCNCC1=O MCULE-8146509218 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.86 NC1CCOCC1CC(=O)O MCULE-4690300395 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.86 O=C(Cl)CN1CCCCC1=O MCULE-8291995808 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.86 O=C(O)CN1CCCCC1=O MCULE-6673893259 [0,1,0,0,0,0|1,0,1]=3 507 B11R1.86 O=C(O)CN1CCCNC1=O MCULE-6462088384 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.86 O=C(O)CN1CCCOC1=O MCULE-2943592143 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.86 O=C(O)CN1CCNCC1=O MCULE-4839192117 [0,1,0,0,0,0|1,0,1]=3 510 B11R1.86 O=C(O)CN1CCNCC1=O MCULE-8916863898 [0,1,0,0,0,0|1,0,1]=3 511 B11R1.86 O=C(O)CN1CCOCC1=O MCULE-2251474090 [0,1,0,0,0,0|0,0,1]=2 512 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O MCULE-4350134748 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O MCULE-6436496571 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.157 C=C(Br)CN1CCCC(C1)C MCULE-9175415200 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.157 CC(=O)CN1CCCC(C1)C MCULE-9981826384 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.157 CC(O)CN1CCNC(C1)C MCULE-9443611444 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-6740436113 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-8756904184 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.157 CC1CCNC(C1)CC(=O)O MCULE-5716034877 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-1750389348 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-3483420567 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.157 NC(=O)CN1CCCC(C1)N MCULE-2173547742 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.157 NC(=O)CN1CCCC(C1)N MCULE-3386931476 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-1365112311 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-9509541900 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.157 O=C(O)CN1CCCC(C1)Br MCULE-2565385665 [0,1,0,0,0,0|1,0,0]=2 533 B11R1.157 O=C(O)CN1CCCC(C1)Cl MCULE-9457969876 [0,1,0,0,0,0|1,0,0]=2 534 B11R1.157 O=C(O)CN1CCCC(C1)I MCULE-1878633684 [0,1,0,0,0,0|1,0,0]=2 535 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,1,0,0,0,0|1,0,0]=2 536 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,1,0,0,0,0|1,0,0]=2 537 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,1,0,0,0,0|1,0,0]=2 538 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-4021947928 [0,1,0,0,0,0|1,0,1]=3 539 B11R1.157 O=C(O)CN1CCNC(=O)C1 MCULE-8867275494 [0,1,0,0,0,0|1,0,1]=3 540 B11R1.157 O=C(O)CN1CCOC(=O)C1 MCULE-8468609722 [0,1,0,0,0,0|0,0,1]=2 541 B11R1.509 CC(C)(N)CN1CCOCC1 MCULE-5853270314 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.509 CC(C)(N)CN1CCOCC1 MCULE-6899498347 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.509 CC(C)(O)CN1CCCCC1 MCULE-4379846666 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.509 CC(C)(O)CN1CCNCC1 MCULE-9508132896 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.509 CC(C)(O)CN1CCNCC1 MCULE-9528605521 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.509 CC(C)(O)CN1CCOCC1 MCULE-5201316926 [0,1,0,0,0,0|1,0,1]=3 547 B11R1.509 CP(=O)(O)CN1CCCCC1 MCULE-4560988571 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.509 F[B-](F)(F)CN1CCOCC1 MCULE-6551488803 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.509 NS(=O)(=O)CC1CCOCC1 MCULE-2467804984 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.509 O=S(=O)(Cl)CC1CCOCC1 MCULE-3387733528 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.509 O=S(=O)(F)CC1CCOCC1 MCULE-5400265304 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.509 O=S(=O)(O)CC1CCCCC1 MCULE-4699317759 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [0,1,0,0,0,0|2,0,0]=3 554 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-5814680905 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-6867782906 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.928 CC1(CCOCC1)CC(=O)O MCULE-4326857569 [0,1,0,0,0,0|1,0,0]=2 557 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4039201792 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4397477502 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.928 NC(=O)CC1(CCOCC1)O MCULE-2274031774 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [0,1,0,0,0,0|1,1,0]=3 567 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.928 O=C(O)CC1(CCCOC1)O MCULE-4776333020 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-2683625220 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-8049713319 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.928 O=C(O)CC1(CCOCC1)O MCULE-8349755612 [0,1,0,0,0,0|1,0,0]=2 572 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,0,1,0,0,0|2,0,1]=4 573 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [0,0,1,0,0,0|2,0,1]=4 574 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [0,0,1,0,0,0|2,0,1]=4 575 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,0,1,0,0,0|2,0,1]=4 576 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [0,0,1,0,0,0|2,0,1]=4 577 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [0,0,1,0,0,0|2,0,1]=4 578 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [0,0,1,0,0,0|3,0,0]=4 579 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [0,0,1,0,0,0|3,0,0]=4 580 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [0,0,1,0,0,0|3,0,0]=4 581 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [0,0,1,0,0,0|2,0,0]=3 582 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [0,0,1,0,0,0|2,0,1]=4 583 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [0,0,1,0,0,0|2,0,1]=4 584 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [0,0,1,0,0,0|2,0,0]=3 585 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [0,0,1,0,0,0|2,0,0]=3 586 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [0,0,1,0,0,0|2,0,0]=3 587 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [0,0,1,0,0,0|3,0,0]=4 588 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [0,0,1,0,0,0|3,0,0]=4 589 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [0,0,1,0,0,0|3,0,0]=4 590 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [0,0,1,0,0,0|3,0,0]=4 591 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [0,0,1,0,0,0|2,0,0]=3 592 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [0,0,1,0,0,0|2,0,0]=3 593 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [0,0,1,0,0,0|1,0,0]=2 594 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [0,0,1,0,0,0|1,0,0]=2 595 B9R0.2 CCOCCOCC(C)O MCULE-4621055001 [0,0,1,0,0,0|2,0,1]=4 596 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [0,0,1,0,0,0|3,0,0]=4 597 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [0,0,1,0,0,0|3,0,0]=4 598 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [0,0,1,0,0,0|3,0,0]=4 599 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [0,0,1,0,0,0|3,0,0]=4 600 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [0,0,1,0,0,0|3,0,0]=4 601 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [0,0,1,0,0,0|3,0,0]=4 602 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [0,0,1,0,0,0|3,0,0]=4 603 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [0,0,1,0,0,0|3,0,0]=4 604 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [0,0,1,0,0,0|3,0,0]=4 605 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [0,0,1,0,0,0|3,0,0]=4 606 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [0,0,1,0,0,0|3,0,0]=4 607 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [0,0,1,0,0,0|2,0,0]=3 608 B9R0.4 C#CCCN(C)CC(=O)O MCULE-2368300215 [0,0,1,0,0,0|1,0,1]=3 609 B9R0.4 C#CCCN(C)CC(=O)O MCULE-3491335280 [0,0,1,0,0,0|1,0,1]=3 610 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,0,1,0,0,0|2,0,0]=3 611 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,1,0,0,0|3,0,0]=4 612 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,1,0,0,0|3,0,0]=4 613 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,0,1,0,0,0|3,0,0]=4 614 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,1,0,0,0|3,0,0]=4 615 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,0,1,0,0,0|2,0,0]=3 616 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,1,0,0,0|3,0,0]=4 617 B9R0.4 CN(CCC#N)CC(=O)O MCULE-1515172721 [0,0,1,0,0,0|2,0,0]=3 618 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,0,1,0,0,0|0,0,0]=1 619 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,0,1,0,0,0|0,0,0]=1 620 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,1,0,0,0|2,1,0]=4 621 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,1,0,0,0|2,1,0]=4 622 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,0,1,0,0,0|2,1,0]=4 623 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,1,0,0,0|2,1,0]=4 624 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,1,0,0,0|2,1,0]=4 625 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,1,0,0,0|2,1,0]=4 626 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,1,0,0,0|2,1,0]=4 627 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,1,0,0,0|2,1,0]=4 628 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,1,0,0,0|2,1,0]=4 629 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,1,0,0,0|2,1,0]=4 630 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,1,0,0,0|2,1,0]=4 631 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,0,1,0,0,0|2,0,0]=3 632 B11R2.4 N[C@@H]1C[C@@H]1N2CCOCC2 MCULE-1531819143 [0,0,0,1,0,0|2,0,1]=4 633 B11R2.4 N[C@@H]1C[C@@H]1N2CCOCC2 MCULE-4530873116 [0,0,0,1,0,0|2,0,1]=4 634 B11R2.4 N[C@@H]1C[C@H]1N2CCOCC2 MCULE-7211349554 [0,0,0,1,0,0|2,0,1]=4 635 B11R2.4 N[C@@H]1C[C@H]1N2CCOCC2 MCULE-8132904784 [0,0,0,1,0,0|2,0,1]=4 636 B11R2.10 C12CNCCN1CC(C2)O MCULE-3186832794 [0,0,0,1,0,0|2,0,1]=4 637 B11R2.10 C12CNCCN1CC(C2)O MCULE-9357209846 [0,0,0,1,0,0|2,0,1]=4 638 B11R2.10 O=C1CC2CCCCN2N1 MCULE-9925271162 [0,0,0,1,0,0|3,0,0]=4 639 B11R2.10 O=C1NC2CCNCC2O1 MCULE-5226985806 [0,0,0,1,0,0|3,0,0]=4 640 B11R2.10 O=C1NC2CCNCC2O1 MCULE-7291987964 [0,0,0,1,0,0|3,0,0]=4 641 B11R2.10 O=C1OC2CCCCC2O1 MCULE-7459022606 [0,0,0,1,0,0|3,0,0]=4 642 B11R2.10 OC1CC2CNCCN2C1 MCULE-4466671391 [0,0,0,1,0,0|2,0,1]=4 643 B11R2.10 O[C@@H]1CC2CNCCN2C1 MCULE-2072326058 [0,0,0,1,0,0|2,0,1]=4 644 B11R2.10 O[C@@H]1CC2CNCCN2C1 MCULE-2880041561 [0,0,0,1,0,0|2,0,1]=4 645 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 MCULE-5899366745 [0,0,0,1,0,0|2,0,1]=4 646 B11R2.10 [C@@H]12CNCCN1C[C@@H](C2)O MCULE-1799667455 [0,0,0,1,0,0|2,0,1]=4 647 B11R2.10 [C@@H]12CNCCN1C[C@@H](C2)O MCULE-8861158360 [0,0,0,1,0,0|2,0,1]=4 648 B11R2.10 [C@@H]12CNCCN1C[C@H](C2)O MCULE-1375030821 [0,0,0,1,0,0|2,0,1]=4 649 B11R2.10 [C@@H]12CNCCN1C[C@H](C2)O MCULE-1406273242 [0,0,0,1,0,0|2,0,1]=4 650 B11R2.10 [C@@H]12CNCCN1C[C@H](C2)O MCULE-3401362561 [0,0,0,1,0,0|2,0,1]=4 651 B11R2.10 [C@@H]12CNCCN1C[C@H](C2)O MCULE-4826879390 [0,0,0,1,0,0|2,0,1]=4 652 B11R2.10 [C@@H]12CNCCN1C[C@H](C2)O MCULE-4957301000 [0,0,0,1,0,0|2,0,1]=4 653 B11R2.10 [C@@H]12CNCCN1C[C@H](C2)O MCULE-6751214752 [0,0,0,1,0,0|2,0,1]=4 654 B11R2.10 [C@@H]12CNCC[C@@H]1CC(=O)N2 MCULE-3161369201 [0,0,0,1,0,0|3,0,0]=4 655 B11R2.10 [C@@H]12CNCC[C@@H]1CC(=O)N2 MCULE-5515197825 [0,0,0,1,0,0|3,0,0]=4 656 B11R2.10 [C@H]12CNCCN1C[C@@H](C2)O MCULE-3495339257 [0,0,0,1,0,0|2,0,1]=4 657 B11R2.10 [C@H]12CNCCN1C[C@@H](C2)O MCULE-4134762727 [0,0,0,1,0,0|2,0,1]=4 658 B11R2.10 [C@H]12CNCCN1C[C@@H](C2)O MCULE-8169941296 [0,0,0,1,0,0|2,0,1]=4 659 B11R2.10 [C@H]12CNCCN1C[C@@H](C2)O MCULE-9359538774 [0,0,0,1,0,0|2,0,1]=4 660 B11R2.10 [C@H]12CNCCN1C[C@H](C2)O MCULE-1289897464 [0,0,0,1,0,0|2,0,1]=4 661 B11R2.10 [C@H]12CNCCN1C[C@H](C2)O MCULE-5593184436 [0,0,0,1,0,0|2,0,1]=4 662 B11R2.238 C1CCN(CC1)CC2CO2 MCULE-5777218619 [0,0,0,1,0,0|2,0,1]=4 663 B11R2.238 C1CN(CCO1)CC2CO2 MCULE-4107266158 [0,0,0,1,0,0|1,0,1]=3 664 B11R2.238 C1CN(CCO1)C[C@@H]2CO2 MCULE-3477471786 [0,0,0,1,0,0|1,0,1]=3 665 B11R2.238 C1CN(CCO1)C[C@@H]2CO2 MCULE-9995750884 [0,0,0,1,0,0|1,0,1]=3 666 B11R2.238 C1CN(CCO1)C[C@H]2CO2 MCULE-8399046696 [0,0,0,1,0,0|1,0,1]=3 667 B11R2.238 C1CN(CCS1)CC2CO2 MCULE-1585068848 [0,0,0,1,0,0|1,1,1]=4 668 B11R2.433 O=C1CC2CCN(C1)CC2 MCULE-7595784075 [0,0,0,1,0,0|2,0,0]=3 669 B11R2.433 O=C1CN2CCC(N1)CC2 MCULE-5080358376 [0,0,0,1,0,0|2,0,0]=3 670 B11R2.508 CC1(CN2CCC1CC2)O MCULE-1926539956 [0,0,0,1,0,0|2,0,1]=4 671 B11R2.678 O=C1CC2CCCC(C1)C2 MCULE-7773766432 [0,0,0,1,0,0|3,0,0]=4 672 B11R2.678 O=C1CC2CCCN(C1)C2 MCULE-2221110725 [0,0,0,1,0,0|2,0,0]=3 673 B11R2.678 [C@H]12CCC[C@H](C1)NC(=O)O2 MCULE-1098666712 [0,0,0,1,0,0|3,0,0]=4 674 B11R2.678 [C@H]12CCC[C@H](C1)OC(=O)N2 MCULE-2754928602 [0,0,0,1,0,0|3,0,0]=4 675 B11R2.703 O=C1CC2(C1)CCCCC2 MCULE-1618832241 [0,0,0,1,0,0|3,0,0]=4 676 B11R2.703 O=C1CC2(C1)CCNCC2 MCULE-4954015931 [0,0,0,1,0,0|3,0,0]=4 677 B11R2.703 O=C1CC2(C1)CCNCC2 MCULE-9511762080 [0,0,0,1,0,0|3,0,0]=4 678 B11R2.703 O=C1CC2(C1)CCOCC2 MCULE-7539097215 [0,0,0,1,0,0|2,0,0]=3 679 B11R2.703 O=C1CC2(N1)CCCCC2 MCULE-2086106260 [0,0,0,1,0,0|3,0,0]=4 680 B11R2.703 O=C1CC2(N1)CCNCC2 MCULE-3433036150 [0,0,0,1,0,0|3,0,0]=4 681 B11R2.703 O=C1CC2(N1)CCOCC2 MCULE-1311954635 [0,0,0,1,0,0|2,0,0]=3 682 B11R2.703 OC1CC2(C1)CCOCC2 MCULE-4589597918 [0,0,0,1,0,0|2,0,1]=4 683 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-5267201254 [0,0,0,1,0,0|3,0,0]=4 684 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-8256228320 [0,0,0,1,0,0|3,0,0]=4 685 B11R2.824 O=C(O)C1C2CCN1CC2 MCULE-1490891130 [0,0,0,1,0,0|1,0,0]=2 686 B11R2.824 O=C(O)C1C2CCN1CC2 MCULE-5536299146 [0,0,0,1,0,0|1,0,0]=2 687 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-7339799108 [0,0,0,1,0,0|3,0,0]=4 688 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-9199699839 [0,0,0,1,0,0|3,0,0]=4 689 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3123155349 [0,0,0,1,0,0|3,0,0]=4 690 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3672711458 [0,0,0,1,0,0|3,0,0]=4 691 B11R2.860 O=C(O)CC1C2C1CNC2 MCULE-1601875469 [0,0,0,1,0,0|2,0,0]=3 692 B11R2.860 O=C(O)CC1C2C1COC2 MCULE-9894739276 [0,0,0,1,0,0|1,0,0]=2 693 B11R2.860 [C@@H]12COC[C@@H]1[C@H]2CC(=O)O MCULE-5737043736 [0,0,0,1,0,0|1,0,0]=2 694 B11R2.932 O=C(O)CC1CCC2C1C2 MCULE-5939746375 [0,0,0,1,0,0|2,0,0]=3 695 B11R2.1824 O=C(O)C1C2CNCC1C2 MCULE-3152609545 [0,0,0,1,0,0|3,0,0]=4 696 B11R2.1824 O=C(O)C1C2CNCC1C2 MCULE-8515280205 [0,0,0,1,0,0|3,0,0]=4 697 B11R2.1852 O=C(O)C1C2C1CCCC2 MCULE-2502533102 [0,0,0,1,0,0|2,0,0]=3 698 B11R2.1852 O=C(O)C1C2C1COCC2 MCULE-6954766584 [0,0,0,1,0,0|1,0,0]=2 699 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCC2 MCULE-2721847322 [0,0,0,1,0,0|2,0,0]=3 700 B11R2.1852 [C@@H]12COCC[C@@H]1C2C(=O)O MCULE-9430309964 [0,0,0,1,0,0|1,0,0]=2 701 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,0,0,0,1,0|2,0,1]=4 702 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,0,0,0,1,0|3,0,0]=4 703 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,0,0,1,0|3,0,0]=4 704 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,0,0,0,1,0|3,0,0]=4 705 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,0,0,0,1,0|3,0,0]=4 706 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,0,0,0,1,0|2,0,0]=3 707 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,0,0,0,1,0|2,1,0]=4 708 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,0,0,0,1,0|2,0,0]=3 709 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [0,0,0,0,1,0|3,0,0]=4 710 B9R1.6 CC(=O)N1CCNCC1 MCULE-6090938298 [0,0,0,0,1,0|2,0,0]=3 711 B9R1.6 CC(=O)N1CCNCC1 MCULE-6273641444 [0,0,0,0,1,0|2,0,0]=3 712 B9R1.6 CC(=O)N1CCOCC1 MCULE-8135519320 [0,0,0,0,1,0|1,0,0]=2 713 B9R1.6 CC(C)N1CCOCC1 MCULE-4479712624 [0,0,0,0,1,0|2,0,1]=4 714 B9R1.6 CC(O)C1CCOCC1 MCULE-9618372743 [0,0,0,0,1,0|2,0,1]=4 715 B9R1.6 C[C@@H](O)C1CCOCC1 MCULE-1246138653 [0,0,0,0,1,0|2,0,1]=4 716 B9R1.6 C[C@@H](O)C1CCOCC1 MCULE-5178620559 [0,0,0,0,1,0|2,0,1]=4 717 B9R1.6 C[C@H](O)C1CCOCC1 MCULE-4135856134 [0,0,0,0,1,0|2,0,1]=4 718 B9R1.6 N=C(N)C1CCOCC1 MCULE-5311101584 [0,0,0,0,1,0|3,0,0]=4 719 B9R1.6 N=C(N)C1CCOCC1 MCULE-9918917702 [0,0,0,0,1,0|3,0,0]=4 720 B9R1.6 N=C(N)N1CCCCC1 MCULE-1949406939 [0,0,0,0,1,0|3,0,0]=4 721 B9R1.6 N=C(N)N1CCCCC1 MCULE-4074763290 [0,0,0,0,1,0|3,0,0]=4 722 B9R1.6 N=C(N)N1CCCCC1 MCULE-4391511847 [0,0,0,0,1,0|3,0,0]=4 723 B9R1.6 N=C(N)N1CCCCC1 MCULE-6020071553 [0,0,0,0,1,0|3,0,0]=4 724 B9R1.6 N=C(N)N1CCCCC1 MCULE-6436130948 [0,0,0,0,1,0|3,0,0]=4 725 B9R1.6 N=C(N)N1CCCCC1 MCULE-7924235577 [0,0,0,0,1,0|3,0,0]=4 726 B9R1.6 N=C(N)N1CCNCC1 MCULE-1061785770 [0,0,0,0,1,0|3,0,0]=4 727 B9R1.6 N=C(N)N1CCNCC1 MCULE-7545173576 [0,0,0,0,1,0|3,0,0]=4 728 B9R1.6 N=C(N)N1CCNCC1 MCULE-8331323401 [0,0,0,0,1,0|3,0,0]=4 729 B9R1.6 N=C(N)N1CCNCC1 MCULE-8556219303 [0,0,0,0,1,0|3,0,0]=4 730 B9R1.6 N=C(N)N1CCOCC1 MCULE-1375941942 [0,0,0,0,1,0|2,0,0]=3 731 B9R1.6 N=C(N)N1CCOCC1 MCULE-2091955958 [0,0,0,0,1,0|2,0,0]=3 732 B9R1.6 N=C(N)N1CCOCC1 MCULE-2780294354 [0,0,0,0,1,0|2,0,0]=3 733 B9R1.6 N=C(N)N1CCOCC1 MCULE-2904401269 [0,0,0,0,1,0|2,0,0]=3 734 B9R1.6 N=C(N)N1CCOCC1 MCULE-7640540249 [0,0,0,0,1,0|2,0,0]=3 735 B9R1.6 N=C(N)N1CCOCC1 MCULE-8547826146 [0,0,0,0,1,0|2,0,0]=3 736 B9R1.6 N=C(N)N1CCOCC1 MCULE-9805787549 [0,0,0,0,1,0|2,0,0]=3 737 B9R1.6 N=C(N)N1CCSCC1 MCULE-1035907164 [0,0,0,0,1,0|2,1,0]=4 738 B9R1.6 N=C(N)N1CCSCC1 MCULE-9230892148 [0,0,0,0,1,0|2,1,0]=4 739 B9R1.6 N=C(N)N1CCSCC1 MCULE-9378394572 [0,0,0,0,1,0|2,1,0]=4 740 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,0,0,0,1,0|3,0,0]=4 741 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,0,0,0,1,0|3,0,0]=4 742 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,0,0,0,1,0|3,0,0]=4 743 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,0,0,0,1,0|2,0,0]=3 744 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,0,0,0,1,0|2,0,0]=3 745 B9R1.6 NC(=O)N1CCNCC1 MCULE-2703076090 [0,0,0,0,1,0|2,0,0]=3 746 B9R1.6 NC(=O)N1CCNCC1 MCULE-9778565861 [0,0,0,0,1,0|2,0,0]=3 747 B9R1.6 NC(=O)N1CCOCC1 MCULE-2181195591 [0,0,0,0,1,0|1,0,0]=2 748 B9R1.6 NC(=S)C1CCOCC1 MCULE-6355388595 [0,0,0,0,1,0|2,1,0]=4 749 B9R1.6 NC(=S)N1CCCCC1 MCULE-1564707293 [0,0,0,0,1,0|2,1,0]=4 750 B9R1.6 NC(=S)N1CCNCC1 MCULE-5753295153 [0,0,0,0,1,0|2,1,0]=4 751 B9R1.6 NC(=S)N1CCOCC1 MCULE-9473931640 [0,0,0,0,1,0|1,1,0]=3 752 B9R1.6 NC(=S)N1CCSCC1 MCULE-9993053346 [0,0,0,0,1,0|1,2,0]=4 753 B9R1.6 O=C(Cl)C1=CCOCC1 MCULE-9144118947 [0,0,0,0,1,0|2,0,1]=4 754 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,0,0,0,1,0|3,0,0]=4 755 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,0,0,0,1,0|3,0,0]=4 756 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,0,0,0,1,0|3,0,0]=4 757 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,0,0,0,1,0|2,0,0]=3 758 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,0,0,0,1,0|2,1,0]=4 759 B9R1.6 O=C(Cl)N1CC=CCC1 MCULE-3457683223 [0,0,0,0,1,0|2,0,1]=4 760 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,0,0,0,1,0|2,0,0]=3 761 B9R1.6 O=C(Cl)N1CCOCC1 MCULE-6303586319 [0,0,0,0,1,0|1,0,0]=2 762 B9R1.6 O=C(Cl)N1CCSCC1 MCULE-7153763312 [0,0,0,0,1,0|1,1,0]=3 763 B9R1.6 O=C(F)N1CCNCC1 MCULE-3929907191 [0,0,0,0,1,0|2,0,0]=3 764 B9R1.6 O=C(F)N1CCNCC1 MCULE-8030550291 [0,0,0,0,1,0|2,0,0]=3 765 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,0,1,0|2,0,1]=4 766 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,0,0,0,1,0|2,0,1]=4 767 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,0,0,0,1,0|2,0,1]=4 768 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,0,0,0,1,0|1,0,1]=3 769 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,0,0,0,1,0|2,0,1]=4 770 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,0,0,1,0|2,0,0]=3 771 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,0,1,0|3,0,0]=4 772 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,0,1,0|3,0,0]=4 773 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,0,1,0|3,0,0]=4 774 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,0,1,0|3,0,0]=4 775 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,0,0,1,0|3,0,0]=4 776 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,0,0,1,0|3,0,0]=4 777 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,0,0,0,1,0|3,0,0]=4 778 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,0,0,0,1,0|3,0,0]=4 779 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,0,0,0,1,0|3,0,0]=4 780 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,0,0,0,1,0|3,0,0]=4 781 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,0,0,1,0|3,0,0]=4 782 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,0,0,1,0|2,0,0]=3 783 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,0,0,1,0|2,0,0]=3 784 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,0,0,1,0|1,0,0]=2 785 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,0,0,1,0|2,0,0]=3 786 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,0,0,1,0|2,0,0]=3 787 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,0,0,1,0|1,1,0]=3 788 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,0,0,1,0|2,1,0]=4 789 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,0,0,1,0|2,1,0]=4 790 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,0,0,1,0|1,0,0]=2 791 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,0,0,1,0|1,0,0]=2 792 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,0,0,0,1,0|1,0,0]=2 793 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,0,0,0,1,0|0,0,0]=1 794 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,0,0,0,1,0|0,1,0]=2 795 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,0,0,0,1,0|2,0,1]=4 796 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,0,0,0,1,0|2,0,1]=4 797 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,0,1,0|3,0,0]=4 798 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,0,1,0|3,0,0]=4 799 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,0,1,0|3,0,0]=4 800 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,0,1,0|3,0,0]=4 801 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,0,0,1,0|3,0,0]=4 802 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,0,0,1,0|3,0,0]=4 803 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,0,0,0,1,0|3,0,0]=4 804 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,0,0,0,1,0|3,0,0]=4 805 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,0,0,0,1,0|3,0,0]=4 806 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,0,0,0,1,0|3,0,0]=4 807 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,0,0,0,1,0|3,0,0]=4 808 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,0,0,0,1,0|3,0,0]=4 809 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,0,0,0,1,0|2,0,1]=4 810 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,0,0,0,1,0|2,0,1]=4 811 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,0,1,0|3,0,0]=4 812 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,0,1,0|3,0,0]=4 813 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,0,1,0|3,0,0]=4 814 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,0,1,0|3,0,0]=4 815 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,0,0,1,0|3,0,0]=4 816 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,0,0,1,0|3,0,0]=4 817 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,0,0,0,1,0|3,0,0]=4 818 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,0,0,0,1,0|3,0,0]=4 819 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,0,0,0,1,0|3,0,0]=4 820 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,0,0,0,1,0|3,0,0]=4 821 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,0,0,0,1,0|3,0,0]=4 822 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,0,0,0,1,0|3,0,0]=4 823 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,0,0,1,0|3,0,0]=4 824 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,0,0,0,1,0|2,0,1]=4 825 B9R1.6 O=N(=O)C1CCOCC1 MCULE-8523674594 [0,0,0,0,1,0|2,0,1]=4 826 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,0,0,0,1,0|3,0,0]=4 827 B9R1.6 O=S([O-])C1CCOCC1 MCULE-4319852593 [0,0,0,0,1,0|2,0,1]=4 828 B9R1.6 O=S([O-])C1CCOCC1 MCULE-7056046306 [0,0,0,0,1,0|2,0,1]=4 829 B9R1.6 OB(O)C1CCOCC1 MCULE-5917553399 [0,0,0,0,1,0|2,0,1]=4 830 B9R1.6 S=C(S)N1CCCCC1 MCULE-3707818588 [0,0,0,0,1,0|1,2,0]=4 831 B9R1.6 S=C(S)N1CCCCC1 MCULE-9173625423 [0,0,0,0,1,0|1,2,0]=4 832 B9R1.6 S=C(S)N1CCOCC1 MCULE-3748439158 [0,0,0,0,1,0|0,2,0]=3 833 B9R1.6 S=C([S-])N1CCOCC1 MCULE-8183647674 [0,0,0,0,1,0|0,2,0]=3 834 B9R1.6 [NH2+]=C(N)N1CCCCC1 MCULE-2030047624 [0,0,0,0,1,0|3,0,0]=4 835 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,0,0,0,1,0|2,0,0]=3 836 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,0,0,0,1,0|2,0,0]=3 837 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,0,0,0,1,0|2,0,0]=3 838 B9R1.13 C=C(Br)CN1CCCC1 MCULE-2647782454 [0,0,0,0,1,0|2,0,0]=3 839 B9R1.13 C=C(Br)CN1CCCC1 MCULE-3198165529 [0,0,0,0,1,0|2,0,0]=3 840 B9R1.13 CC(=O)C=C1CCCC1 MCULE-1647139252 [0,0,0,0,1,0|2,0,1]=4 841 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [0,0,0,0,1,0|2,0,0]=3 842 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,0,0,0,1,0|3,0,0]=4 843 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [0,0,0,0,1,0|2,0,0]=3 844 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [0,0,0,0,1,0|1,0,0]=2 845 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [0,0,0,0,1,0|3,0,0]=4 846 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [0,0,0,0,1,0|3,0,0]=4 847 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [0,0,0,0,1,0|3,0,0]=4 848 B9R1.13 CC(N)CN1CCCC1 MCULE-3580195064 [0,0,0,0,1,0|2,0,1]=4 849 B9R1.13 CC(N)CN1CCCC1 MCULE-8859795461 [0,0,0,0,1,0|2,0,1]=4 850 B9R1.13 CC(O)CC1CCOC1 MCULE-4873864951 [0,0,0,0,1,0|2,0,1]=4 851 B9R1.13 CC(O)CN1CCCC1 MCULE-9204952142 [0,0,0,0,1,0|1,0,1]=3 852 B9R1.13 C[C@H](N)CN1CCCC1 MCULE-3878391581 [0,0,0,0,1,0|2,0,1]=4 853 B9R1.13 C[C@H](N)CN1CCCC1 MCULE-9482061465 [0,0,0,0,1,0|2,0,1]=4 854 B9R1.13 C[C@H](O)CN1CCCC1 MCULE-5532103843 [0,0,0,0,1,0|1,0,1]=3 855 B9R1.13 N=C(N)CN1CCCC1 MCULE-4701046871 [0,0,0,0,1,0|2,0,0]=3 856 B9R1.13 N=C(N)CN1CCCC1 MCULE-6983675892 [0,0,0,0,1,0|2,0,0]=3 857 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [0,0,0,0,1,0|2,0,0]=3 858 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,0,0,0,1,0|3,0,0]=4 859 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,0,0,0,1,0|3,0,0]=4 860 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,0,0,0,1,0|3,0,0]=4 861 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,0,0,0,1,0|3,0,0]=4 862 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,0,0,0,1,0|3,0,0]=4 863 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,0,0,0,1,0|3,0,0]=4 864 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,0,0,0,1,0|3,0,0]=4 865 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,0,0,0,1,0|3,0,0]=4 866 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [0,0,0,0,1,0|3,0,0]=4 867 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [0,0,0,0,1,0|3,0,0]=4 868 B9R1.13 NC(=S)CC1CCCC1 MCULE-6979331241 [0,0,0,0,1,0|2,1,0]=4 869 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [0,0,0,0,1,0|2,0,0]=3 870 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,0,0,0,1,0|3,0,0]=4 871 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [0,0,0,0,1,0|1,0,0]=2 872 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [0,0,0,0,1,0|1,0,0]=2 873 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [0,0,0,0,1,0|3,0,0]=4 874 B9R1.13 O=C(Cl)OC1CCOC1 MCULE-2201264760 [0,0,0,0,1,0|3,0,0]=4 875 B9R1.13 O=C(O)/C=C\1/CCNC1 MCULE-3459034443 [0,0,0,0,1,0|2,0,1]=4 876 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,0,0,0,1,0|1,0,1]=3 877 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [0,0,0,0,1,0|1,0,1]=3 878 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,0,0,0,1,0|1,0,2]=4 879 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [0,0,0,0,1,0|1,0,2]=4 880 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,0,0,0,1,0|1,0,0]=2 881 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,0,0,0,1,0|2,0,0]=3 882 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,0,0,0,1,0|2,0,0]=3 883 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,0,0,0,1,0|2,0,0]=3 884 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,0,0,0,1,0|2,0,0]=3 885 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,0,0,0,1,0|2,0,0]=3 886 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,0,0,0,1,0|1,0,0]=2 887 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,0,0,0,1,0|1,0,0]=2 888 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,0,0,0,1,0|2,1,0]=4 889 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,0,0,0,1,0|3,0,0]=4 890 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,0,0,0,1,0|0,0,0]=1 891 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,0,0,0,1,0|0,0,0]=1 892 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,0,0,0,1,0|2,0,0]=3 893 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,0,0,0,1,0|2,0,0]=3 894 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,0,0,0,1,0|2,0,0]=3 895 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,0,0,0,1,0|2,0,0]=3 896 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,0,0,0,1,0|2,0,0]=3 897 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,0,0,0,1,0|2,0,0]=3 898 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,0,0,0,1,0|2,0,0]=3 899 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,0,0,0,1,0|2,0,0]=3 900 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,0,0,0,1,0|1,0,0]=2 901 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,0,0,0,1,0|1,0,0]=2 902 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,0,0,0,1,0|2,0,0]=3 903 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,0,0,0,1,0|2,0,0]=3 904 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,0,0,0,1,0|2,0,0]=3 905 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,0,0,0,1,0|2,0,0]=3 906 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,0,0,0,1,0|2,0,0]=3 907 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,0,0,0,1,0|2,0,0]=3 908 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,0,0,0,1,0|2,0,0]=3 909 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,0,0,0,1,0|2,0,0]=3 910 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,0,0,0,1,0|1,0,0]=2 911 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,0,0,0,1,0|1,0,0]=2 912 B9R1.13 OB(O)CC1CCCC1 MCULE-5721807920 [0,0,0,0,1,0|2,0,1]=4 913 B9R1.13 S=C([S-])NN1CCCC1 MCULE-3729859426 [0,0,0,0,1,0|1,2,0]=4 914 B9R1.13 S=C([S-])NN1CCCC1 MCULE-5197908115 [0,0,0,0,1,0|1,2,0]=4 915 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,0,0,0,1,0|2,0,0]=3 916 B11R1.91 CC(=CCN1CCOCC1)Cl MCULE-2073064376 [0,0,0,0,0,1|2,0,0]=3 917 B11R1.91 CC(=CCN1CCOCC1)Cl MCULE-3417301105 [0,0,0,0,0,1|2,0,0]=3 918 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [0,0,0,0,0,1|3,0,0]=4 919 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-4455809617 [0,0,0,0,0,1|2,0,0]=3 920 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-7961876637 [0,0,0,0,0,1|2,0,0]=3 921 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-2822686097 [0,0,0,0,0,1|2,0,0]=3 922 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-4333462634 [0,0,0,0,0,1|2,0,0]=3 923 B11R1.91 CC(=O)CCN1CCOCC1 MCULE-7551262567 [0,0,0,0,0,1|1,0,0]=2 924 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-1534192859 [0,0,0,0,0,1|3,0,0]=4 925 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-3811620113 [0,0,0,0,0,1|3,0,0]=4 926 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-4719188960 [0,0,0,0,0,1|3,0,0]=4 927 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [0,0,0,0,0,1|3,0,0]=4 928 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-2805518931 [0,0,0,0,0,1|3,0,0]=4 929 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-5312831696 [0,0,0,0,0,1|3,0,0]=4 930 B11R1.91 CC(N)CCN1CCOCC1 MCULE-2987215586 [0,0,0,0,0,1|2,0,1]=4 931 B11R1.91 CC(N)CCN1CCOCC1 MCULE-3653322591 [0,0,0,0,0,1|2,0,1]=4 932 B11R1.91 CN(C)CCN1CCOCC1 MCULE-2909596256 [0,0,0,0,0,1|3,0,0]=4 933 B11R1.91 CS(=O)CCN1CCNCC1 MCULE-5644133196 [0,0,0,0,0,1|3,0,0]=4 934 B11R1.91 CS(=O)CCN1CCNCC1 MCULE-7127127725 [0,0,0,0,0,1|3,0,0]=4 935 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-4187671201 [0,0,0,0,0,1|3,0,0]=4 936 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-6812707919 [0,0,0,0,0,1|3,0,0]=4 937 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-8802863643 [0,0,0,0,0,1|3,0,0]=4 938 B11R1.91 N=C(N)CCN1CCOCC1 MCULE-1449111348 [0,0,0,0,0,1|2,0,0]=3 939 B11R1.91 N=C(N)CCN1CCOCC1 MCULE-1784633607 [0,0,0,0,0,1|2,0,0]=3 940 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-2530902636 [0,0,0,0,0,1|3,0,0]=4 941 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-3821702052 [0,0,0,0,0,1|3,0,0]=4 942 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [0,0,0,0,0,1|3,0,0]=4 943 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-2541342686 [0,0,0,0,0,1|3,0,0]=4 944 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-7868367948 [0,0,0,0,0,1|3,0,0]=4 945 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-4237492785 [0,0,0,0,0,1|2,0,0]=3 946 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-5604364402 [0,0,0,0,0,1|2,0,0]=3 947 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-5899238397 [0,0,0,0,0,1|2,0,0]=3 948 B11R1.91 NC(=O)CCN1CCOCC1 MCULE-3358887716 [0,0,0,0,0,1|1,0,0]=2 949 B11R1.91 NC(=O)CNC1CCOCC1 MCULE-5022669900 [0,0,0,0,0,1|2,0,0]=3 950 B11R1.91 NC(=O)CNC1CCOCC1 MCULE-8465760828 [0,0,0,0,0,1|2,0,0]=3 951 B11R1.91 NC(=O)COC1CCCCC1 MCULE-3634561714 [0,0,0,0,0,1|3,0,0]=4 952 B11R1.91 NC(=O)COC1CCNCC1 MCULE-1994833226 [0,0,0,0,0,1|3,0,0]=4 953 B11R1.91 NC(=O)COC1CCNCC1 MCULE-7267285811 [0,0,0,0,0,1|3,0,0]=4 954 B11R1.91 NC(=O)CSC1CCCCC1 MCULE-9968891969 [0,0,0,0,0,1|3,0,0]=4 955 B11R1.91 NC(=O)NCC1CCCCC1 MCULE-8898827465 [0,0,0,0,0,1|3,0,0]=4 956 B11R1.91 NC(=S)CCN1CCCCC1 MCULE-2768225485 [0,0,0,0,0,1|2,1,0]=4 957 B11R1.91 NC(=S)CCN1CCOCC1 MCULE-8347470895 [0,0,0,0,0,1|1,1,0]=3 958 B11R1.91 NC(=S)N=CN1CCOCC1 MCULE-8839031790 [0,0,0,0,0,1|1,1,1]=4 959 B11R1.91 O=C(Cl)CCC1CCCCC1 MCULE-7905035887 [0,0,0,0,0,1|3,0,0]=4 960 B11R1.91 O=C(Cl)OCC1CCCCC1 MCULE-5198631423 [0,0,0,0,0,1|3,0,0]=4 961 B11R1.91 O=C(Cl)OCC1CCOCC1 MCULE-6985131043 [0,0,0,0,0,1|2,0,0]=3 962 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [0,0,0,0,0,1|2,0,1]=4 963 B11R1.91 O=C(O)/C=N/N1CCCCC1 MCULE-4664019093 [0,0,0,0,0,1|1,0,1]=3 964 B11R1.91 O=C(O)/C=N/N1CCCCC1 MCULE-7026085314 [0,0,0,0,0,1|1,0,1]=3 965 B11R1.91 O=C(O)C#CC1CCCCC1 MCULE-5082053122 [0,0,0,0,0,1|2,0,1]=4 966 B11R1.91 O=C(O)C#CC1CCNCC1 MCULE-8935690041 [0,0,0,0,0,1|2,0,1]=4 967 B11R1.91 O=C(O)C#CC1CCNCC1 MCULE-9868136962 [0,0,0,0,0,1|2,0,1]=4 968 B11R1.91 O=C(O)C#CC1CCOCC1 MCULE-8516095327 [0,0,0,0,0,1|1,0,1]=3 969 B11R1.91 O=C(O)C=CC1CCCCC1 MCULE-4284204201 [0,0,0,0,0,1|2,0,1]=4 970 B11R1.91 O=C(O)C=CC1CCOCC1 MCULE-1964035700 [0,0,0,0,0,1|1,0,1]=3 971 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [0,0,0,0,0,1|2,0,1]=4 972 B11R1.91 O=C(O)CCC1CCCCC1 MCULE-6857024600 [0,0,0,0,0,1|2,0,0]=3 973 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9745963762 [0,0,0,0,0,1|3,0,0]=4 974 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9799515880 [0,0,0,0,0,1|3,0,0]=4 975 B11R1.91 O=C(O)CCC1CCCCO1 MCULE-7131400209 [0,0,0,0,0,1|3,0,0]=4 976 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [0,0,0,0,0,1|3,0,0]=4 977 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [0,0,0,0,0,1|3,0,0]=4 978 B11R1.91 O=C(O)CCC1CCCOC1 MCULE-2925847386 [0,0,0,0,0,1|3,0,0]=4 979 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-2827451677 [0,0,0,0,0,1|2,0,0]=3 980 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-4045148324 [0,0,0,0,0,1|2,0,0]=3 981 B11R1.91 O=C(O)CCC1CCOCC1 MCULE-6529848078 [0,0,0,0,0,1|1,0,0]=2 982 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-4134014685 [0,0,0,0,0,1|1,0,0]=2 983 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-8800912377 [0,0,0,0,0,1|1,0,0]=2 984 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-2996089701 [0,0,0,0,0,1|2,0,0]=3 985 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-3766668240 [0,0,0,0,0,1|2,0,0]=3 986 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-2278927702 [0,0,0,0,0,1|1,0,0]=2 987 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-7245019533 [0,0,0,0,0,1|1,0,0]=2 988 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-1023466735 [0,0,0,0,0,1|0,0,0]=1 989 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-7724278716 [0,0,0,0,0,1|0,0,0]=1 990 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-8465184362 [0,0,0,0,0,1|0,0,0]=1 991 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-5978659919 [0,0,0,0,0,1|0,1,0]=2 992 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-8911727730 [0,0,0,0,0,1|0,1,0]=2 993 B11R1.91 O=C(O)CNC1=NCCCC1 MCULE-3814369220 [0,0,0,0,0,1|3,0,0]=4 994 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [0,0,0,0,0,1|2,0,0]=3 995 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [0,0,0,0,0,1|2,0,0]=3 996 B11R1.91 O=C(O)CNC1CCOCC1 MCULE-7657301692 [0,0,0,0,0,1|1,0,0]=2 997 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [0,0,0,0,0,1|2,0,0]=3 998 B11R1.91 O=C(O)COC1CCCOC1 MCULE-6982251312 [0,0,0,0,0,1|3,0,0]=4 999 B11R1.91 O=C(O)COC1CCNCC1 MCULE-8120083070 [0,0,0,0,0,1|2,0,0]=3 1000 B11R1.91 O=C(O)COC1CCNCC1 MCULE-9462178764 [0,0,0,0,0,1|2,0,0]=3 1001 B11R1.91 O=C(O)COC1CCOCC1 MCULE-2803382098 [0,0,0,0,0,1|1,0,0]=2 1002 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [0,0,0,0,0,1|2,0,0]=3 1003 B11R1.91 O=C(O)CSC1CCCCO1 MCULE-8580492168 [0,0,0,0,0,1|3,0,0]=4 1004 B11R1.91 O=C([O-])CCN1CCOCC1 MCULE-7377834147 [0,0,0,0,0,1|0,0,1]=2 1005 B11R1.91 O=N(=O)CCC1CCOCC1 MCULE-7297881653 [0,0,0,0,0,1|2,0,1]=4 1006 B11R1.91 O=[N+]([O-])C=CN1CCOCC1 MCULE-9621857917 [0,0,0,0,0,1|1,0,2]=4 1007 B11R1.742 C=C(Br)CN1CCCCCC1 MCULE-9156946050 [0,0,0,0,0,1|3,0,0]=4 1008 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [0,0,0,0,0,1|3,0,0]=4 1009 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [0,0,0,0,0,1|2,0,0]=3 1010 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [0,0,0,0,0,1|2,0,0]=3 1011 B11R1.742 CC(O)CN1CCCCCC1 MCULE-8415141576 [0,0,0,0,0,1|2,0,1]=4 1012 B11R1.742 N=C(N)CN1CCCCCC1 MCULE-4265756441 [0,0,0,0,0,1|3,0,0]=4 1013 B11R1.742 N=C(N)CN1CCCCCC1 MCULE-8129093841 [0,0,0,0,0,1|3,0,0]=4 1014 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [0,0,0,0,0,1|2,0,0]=3 1015 B11R1.742 NC(=O)CN1CCCNCC1 MCULE-5276262579 [0,0,0,0,0,1|2,0,0]=3 1016 B11R1.742 NC(=O)CN1CCCNCC1 MCULE-6950928492 [0,0,0,0,0,1|2,0,0]=3 1017 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [0,0,0,0,0,1|2,0,1]=4 1018 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [0,0,0,0,0,1|2,0,0]=3 1019 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [0,0,0,0,0,1|2,0,0]=3 1020 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [0,0,0,0,0,1|2,0,0]=3 1021 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [0,0,0,0,0,1|2,0,0]=3 1022 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [0,0,0,0,0,1|1,0,0]=2 1023 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [0,0,0,0,0,1|1,0,0]=2 1024 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [0,0,0,0,0,1|1,0,0]=2 1025 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [0,0,0,0,0,1|1,0,0]=2 1026 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [0,0,0,0,0,1|1,0,0]=2 1027 B11R1.742 O=C(O)CN1CSCCSC1 MCULE-4152013932 [0,0,0,0,0,1|2,0,0]=3 1028 B8R0.4 CCCCCCCC=O MCULE-7111365457 [1,0,1,0,0,0|2,0,0]=4 1029 B8R0.4 CCCCCNCCO MCULE-7662965930 [1,0,1,0,0,0|1,0,1]=4 1030 B8R0.4 CCOCCOCC=O MCULE-4431979706 [1,0,1,0,0,0|1,0,0]=3 1031 B8R0.4 CCOCCOCCO MCULE-8940886567 [1,0,1,0,0,0|1,0,1]=4 1032 B8R0.7 C=C(Br)CNCCCC MCULE-5896177180 [1,0,1,0,0,0|2,0,0]=4 1033 B8R0.7 C=C(Br)CNCCCC MCULE-9529942902 [1,0,1,0,0,0|2,0,0]=4 1034 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [1,0,1,0,0,0|0,0,2]=4 1035 B8R0.7 CC#CCCCC(=O)O MCULE-2531382210 [1,0,1,0,0,0|1,0,1]=4 1036 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,0,1,0,0,0|1,0,1]=4 1037 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [1,0,1,0,0,0|1,0,1]=4 1038 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [1,0,1,0,0,0|1,0,1]=4 1039 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [1,0,1,0,0,0|1,0,1]=4 1040 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [1,0,1,0,0,0|1,0,1]=4 1041 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,0,1,0,0,0|2,0,0]=4 1042 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [1,0,1,0,0,0|2,0,0]=4 1043 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [1,0,1,0,0,0|2,0,0]=4 1044 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [1,0,1,0,0,0|1,0,0]=3 1045 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [1,0,1,0,0,0|1,0,1]=4 1046 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [1,0,1,0,0,0|2,0,0]=4 1047 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [1,0,1,0,0,0|1,0,0]=3 1048 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [1,0,1,0,0,0|1,0,0]=3 1049 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [1,0,1,0,0,0|0,0,0]=2 1050 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [1,0,1,0,0,0|1,0,1]=4 1051 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [1,0,1,0,0,0|1,0,0]=3 1052 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [1,0,1,0,0,0|1,0,0]=3 1053 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [1,0,1,0,0,0|2,0,0]=4 1054 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [1,0,1,0,0,0|2,0,0]=4 1055 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [1,0,1,0,0,0|2,0,0]=4 1056 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [1,0,1,0,0,0|2,0,0]=4 1057 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [1,0,1,0,0,0|1,0,0]=3 1058 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [1,0,1,0,0,0|1,0,0]=3 1059 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [1,0,1,0,0,0|0,0,0]=2 1060 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [1,0,1,0,0,0|1,0,0]=3 1061 B8R0.7 CCOCCOC(=O)C MCULE-3053452981 [1,0,1,0,0,0|2,0,0]=4 1062 B8R0.7 CCOCCOC(=O)Cl MCULE-9683410173 [1,0,1,0,0,0|2,0,0]=4 1063 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [1,0,1,0,0,0|2,0,0]=4 1064 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [1,0,1,0,0,0|2,0,0]=4 1065 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [1,0,1,0,0,0|2,0,0]=4 1066 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [1,0,1,0,0,0|1,0,0]=3 1067 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [1,0,1,0,0,0|1,0,0]=3 1068 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [1,0,1,0,0,0|1,0,0]=3 1069 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [1,0,1,0,0,0|0,0,0]=2 1070 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [1,0,1,0,0,0|0,0,0]=2 1071 B8R0.7 COCCOCC(=O)C MCULE-5956367525 [1,0,1,0,0,0|2,0,0]=4 1072 B8R0.7 COCCOCC(=O)Cl MCULE-9321414156 [1,0,1,0,0,0|2,0,0]=4 1073 B8R0.7 COCCOCC(=O)N MCULE-8987780803 [1,0,1,0,0,0|2,0,0]=4 1074 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [1,0,1,0,0,0|1,0,0]=3 1075 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [1,0,1,0,0,0|1,0,0]=3 1076 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [1,0,1,0,0,0|1,1,0]=4 1077 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [1,0,1,0,0,0|0,1,0]=3 1078 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [1,0,1,0,0,0|0,1,0]=3 1079 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [1,0,1,0,0,0|1,1,0]=4 1080 B8R0.7 CSSCCCC(=O)O MCULE-7947744639 [1,0,1,0,0,0|1,1,0]=4 1081 B8R0.7 N#CCCNCC(=O)O MCULE-9226456604 [1,0,1,0,0,0|1,0,1]=4 1082 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [1,0,1,0,0,0|2,0,0]=4 1083 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [1,0,1,0,0,0|2,0,0]=4 1084 B8R0.7 NCCCNCC(=O)O MCULE-6526080048 [1,0,1,0,0,0|1,0,0]=3 1085 B8R0.7 NCCCNCC(=O)O MCULE-6762903438 [1,0,1,0,0,0|1,0,0]=3 1086 B8R0.7 NCCCOCC(=O)O MCULE-6428539436 [1,0,1,0,0,0|2,0,0]=4 1087 B8R0.7 NOCCCCC(=O)O MCULE-2022616022 [1,0,1,0,0,0|2,0,0]=4 1088 B8R0.7 NOCCCCC(=O)O MCULE-9375312454 [1,0,1,0,0,0|2,0,0]=4 1089 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [1,0,1,0,0,0|2,0,0]=4 1090 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [1,0,1,0,0,0|2,0,0]=4 1091 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [1,0,1,0,0,0|2,0,0]=4 1092 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [1,0,1,0,0,0|2,0,0]=4 1093 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [1,0,1,0,0,0|2,0,0]=4 1094 B8R0.7 O=C(O)COCCCBr MCULE-2393807719 [1,0,1,0,0,0|2,0,0]=4 1095 B8R0.1 C#CCN(C)CCOC MCULE-6918285503 [1,0,1,0,0,0|1,0,1]=4 1096 B8R0.1 CCCCN(C)CCO MCULE-9224761648 [1,0,1,0,0,0|1,0,1]=4 1097 B8R0.1 CNCCN(C)CCO MCULE-5336182797 [1,0,1,0,0,0|1,0,1]=4 1098 B8R0.1 CNCCN(C)CCO MCULE-6704675781 [1,0,1,0,0,0|1,0,1]=4 1099 B8R0.1 COCCN(C)CCN MCULE-5205612812 [1,0,1,0,0,0|1,0,1]=4 1100 B8R0.1 COCCN(C)CCO MCULE-1370396401 [1,0,1,0,0,0|0,0,1]=3 1101 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [1,0,1,0,0,0|1,0,1]=4 1102 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [1,0,1,0,0,0|1,0,0]=3 1103 B8R0.5 CC(O)CN(C)CCO MCULE-4977568845 [1,0,1,0,0,0|1,0,1]=4 1104 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [1,0,1,0,0,0|1,0,1]=4 1105 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [1,0,1,0,0,0|1,0,1]=4 1106 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [1,0,1,0,0,0|2,0,0]=4 1107 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [1,0,1,0,0,0|2,0,0]=4 1108 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [1,0,1,0,0,0|1,0,0]=3 1109 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [1,0,1,0,0,0|2,0,0]=4 1110 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [1,0,1,0,0,0|2,0,0]=4 1111 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [1,0,1,0,0,0|2,0,0]=4 1112 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [1,0,1,0,0,0|2,0,0]=4 1113 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [1,0,1,0,0,0|2,0,0]=4 1114 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [1,0,1,0,0,0|0,0,0]=2 1115 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [1,0,1,0,0,0|0,0,0]=2 1116 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [1,0,1,0,0,0|2,0,0]=4 1117 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [1,0,1,0,0,0|2,0,0]=4 1118 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [1,0,1,0,0,0|2,0,0]=4 1119 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [1,0,1,0,0,0|2,0,0]=4 1120 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [1,0,1,0,0,0|2,0,0]=4 1121 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [1,0,1,0,0,0|2,0,0]=4 1122 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [1,0,1,0,0,0|2,0,0]=4 1123 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [1,0,1,0,0,0|2,0,0]=4 1124 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [1,0,1,0,0,0|2,0,0]=4 1125 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [1,0,1,0,0,0|0,0,0]=2 1126 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [1,0,1,0,0,0|1,0,1]=4 1127 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [1,0,1,0,0,0|1,0,0]=3 1128 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [1,0,1,0,0,0|1,0,1]=4 1129 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [1,0,1,0,0,0|2,0,0]=4 1130 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [1,0,1,0,0,0|2,0,0]=4 1131 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [1,0,1,0,0,0|2,0,0]=4 1132 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [1,0,1,0,0,0|2,0,0]=4 1133 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [1,0,1,0,0,0|1,0,0]=3 1134 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [1,0,1,0,0,0|1,0,0]=3 1135 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [1,0,1,0,0,0|1,0,0]=3 1136 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [1,0,1,0,0,0|0,0,0]=2 1137 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [1,0,1,0,0,0|0,0,0]=2 1138 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [1,0,1,0,0,0|0,0,1]=3 1139 B8R0.16 CCN(CC)CC(C)O MCULE-9610800748 [1,0,1,0,0,0|1,0,1]=4 1140 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [1,0,1,0,0,0|2,0,0]=4 1141 B8R0.22 CCN(CCN)CCO MCULE-1658493713 [1,0,1,0,0,0|1,0,1]=4 1142 B8R0.22 CCN(CCO)CCO MCULE-8854089180 [1,0,1,0,0,0|0,0,1]=3 1143 B8R1.2 BrCC1CCOCC1 MCULE-9730123228 [2,0,0,0,0,0|2,0,0]=4 1144 B8R1.2 CCN1CCCCC1 MCULE-4079252361 [2,0,0,0,0,0|1,0,1]=4 1145 B8R1.2 CCN1CCNCC1 MCULE-8430742064 [2,0,0,0,0,0|1,0,1]=4 1146 B8R1.2 CCN1CCOCC1 MCULE-6162178461 [2,0,0,0,0,0|0,0,1]=3 1147 B8R1.2 ClCC1CCOCC1 MCULE-1211854956 [2,0,0,0,0,0|2,0,0]=4 1148 B8R1.2 ClCN1CCCCC1 MCULE-8272974338 [2,0,0,0,0,0|2,0,0]=4 1149 B8R1.2 ClCN1CCOCC1 MCULE-6980427130 [2,0,0,0,0,0|1,0,0]=3 1150 B8R1.2 ICC1CCOCC1 MCULE-1501983761 [2,0,0,0,0,0|2,0,0]=4 1151 B8R1.2 N#CN1CCOCC1 MCULE-7233994917 [2,0,0,0,0,0|1,0,1]=4 1152 B8R1.2 NCC1CCOCC1 MCULE-6047019505 [2,0,0,0,0,0|2,0,0]=4 1153 B8R1.2 NCC1CCOCC1 MCULE-6910667705 [2,0,0,0,0,0|2,0,0]=4 1154 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [2,0,0,0,0,0|2,0,0]=4 1155 B8R1.2 O=CC1CCNCC1 MCULE-3856245073 [2,0,0,0,0,0|2,0,0]=4 1156 B8R1.2 O=CC1CCNCC1 MCULE-8439609130 [2,0,0,0,0,0|2,0,0]=4 1157 B8R1.2 O=CC1CCOCC1 MCULE-6884786677 [2,0,0,0,0,0|1,0,0]=3 1158 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [2,0,0,0,0,0|1,1,0]=4 1159 B8R1.2 O=CN1C=COCC1 MCULE-2988916890 [2,0,0,0,0,0|0,0,2]=4 1160 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [2,0,0,0,0,0|1,0,0]=3 1161 B8R1.2 O=CN1CCNCC1 MCULE-8359044100 [2,0,0,0,0,0|1,0,0]=3 1162 B8R1.2 O=CN1CCOCC1 MCULE-2465964585 [2,0,0,0,0,0|0,0,0]=2 1163 B8R1.2 O=NN1CCCCC1 MCULE-6180064865 [2,0,0,0,0,0|2,0,0]=4 1164 B8R1.2 O=NN1CCNCC1 MCULE-7259290085 [2,0,0,0,0,0|2,0,0]=4 1165 B8R1.2 O=NN1CCOCC1 MCULE-8445460226 [2,0,0,0,0,0|1,0,0]=3 1166 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [2,0,0,0,0,0|1,0,1]=4 1167 B8R1.2 OCC1CCCCC1 MCULE-6571547092 [2,0,0,0,0,0|2,0,0]=4 1168 B8R1.2 OCC1CCNCC1 MCULE-3303736479 [2,0,0,0,0,0|2,0,0]=4 1169 B8R1.2 OCC1CCNCC1 MCULE-5679503328 [2,0,0,0,0,0|2,0,0]=4 1170 B8R1.2 OCC1CCOCC1 MCULE-8259124266 [2,0,0,0,0,0|1,0,0]=3 1171 B8R1.2 OCC1CCOCO1 MCULE-2733488185 [2,0,0,0,0,0|2,0,0]=4 1172 B8R1.2 OCC1CCSCC1 MCULE-5223983457 [2,0,0,0,0,0|1,1,0]=4 1173 B8R1.2 ON=C1CCOCC1 MCULE-4298814584 [2,0,0,0,0,0|2,0,0]=4 1174 B8R1.2 S=CN1CCCCC1 MCULE-9360358622 [2,0,0,0,0,0|1,1,0]=4 1175 B8R1.2 SCC1CCOCC1 MCULE-1191986847 [2,0,0,0,0,0|1,1,0]=4 1176 B8R1.2 SCN1CCOCC1 MCULE-1013977666 [2,0,0,0,0,0|0,1,0]=3 1177 B10R0.3 CCCC(C)CCCC(=O)O MCULE-9813732292 [0,1,1,0,0,0|2,0,0]=4 1178 B10R0.3 CCCC(O)CCCC(=O)O MCULE-6567242953 [0,1,1,0,0,0|2,0,0]=4 1179 B10R0.3 CCOC(=O)CCCC(=O)O MCULE-2798972740 [0,1,1,0,0,0|1,0,1]=4 1180 B10R0.3 CCOC(=O)CNCC(=O)N MCULE-5496236051 [0,1,1,0,0,0|1,0,1]=4 1181 B10R0.4 C#CCOCCOCC(=O)O MCULE-2117769924 [0,1,1,0,0,0|1,0,1]=4 1182 B10R0.4 C=CCOCCOCC(=O)O MCULE-8100852333 [0,1,1,0,0,0|1,0,1]=4 1183 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [0,1,1,0,0,0|2,0,0]=4 1184 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [0,1,1,0,0,0|2,0,0]=4 1185 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [0,1,1,0,0,0|2,0,0]=4 1186 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [0,1,1,0,0,0|1,0,0]=3 1187 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [0,1,1,0,0,0|2,0,0]=4 1188 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [0,1,1,0,0,0|2,0,0]=4 1189 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [0,1,1,0,0,0|2,0,0]=4 1190 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [0,1,1,0,0,0|1,0,0]=3 1191 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [0,1,1,0,0,0|1,0,0]=3 1192 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [0,1,1,0,0,0|2,0,0]=4 1193 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [0,1,1,0,0,0|2,0,0]=4 1194 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [0,1,1,0,0,0|2,0,0]=4 1195 B10R0.4 NCCOCCOCC(=O)O MCULE-8111157626 [0,1,1,0,0,0|1,0,0]=3 1196 B10R0.4 NCCOCCOCC(=O)O MCULE-9455562840 [0,1,1,0,0,0|1,0,0]=3 1197 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [0,1,1,0,0,0|2,0,0]=4 1198 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [0,1,1,0,0,0|2,0,0]=4 1199 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [0,1,1,0,0,0|2,0,0]=4 1200 B10R0.4 O=C(O)COCCOCCCl MCULE-2275317201 [0,1,1,0,0,0|1,0,0]=3 1201 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [0,1,1,0,0,0|1,0,0]=3 1202 B10R0.4 O=C([O-])COCCOCCO MCULE-7695579733 [0,1,1,0,0,0|1,0,1]=4 1203 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [0,1,1,0,0,0|2,0,0]=4 1204 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [0,1,1,0,0,0|2,0,0]=4 1205 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [0,1,1,0,0,0|2,0,0]=4 1206 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [0,1,1,0,0,0|2,0,0]=4 1207 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [0,1,1,0,0,0|2,0,0]=4 1208 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [0,1,1,0,0,0|2,0,0]=4 1209 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [0,1,1,0,0,0|2,0,0]=4 1210 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [0,1,1,0,0,0|2,0,0]=4 1211 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [0,1,1,0,0,0|2,0,0]=4 1212 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [0,1,1,0,0,0|2,0,0]=4 1213 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [0,1,1,0,0,0|2,0,0]=4 1214 B10R0.74 CCOCCSCC(=O)OC MCULE-6906722616 [0,1,1,0,0,0|1,0,0]=3 1215 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [0,1,1,0,0,0|2,0,0]=4 1216 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [0,1,1,0,0,0|2,0,0]=4 1217 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [0,1,1,0,0,0|2,0,0]=4 1218 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [0,1,1,0,0,0|2,0,0]=4 1219 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [0,1,1,0,0,0|2,0,0]=4 1220 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [0,1,1,0,0,0|2,0,0]=4 1221 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [0,1,1,0,0,0|2,0,0]=4 1222 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [0,1,1,0,0,0|2,0,0]=4 1223 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [0,1,1,0,0,0|2,0,0]=4 1224 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [0,1,1,0,0,0|2,0,0]=4 1225 B10R0.75 CCOCCOC(C)C(=O)O MCULE-1855650459 [0,1,1,0,0,0|1,0,0]=3 1226 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [0,1,1,0,0,0|1,0,1]=4 1227 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [0,1,1,0,0,0|2,0,0]=4 1228 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [0,1,1,0,0,0|2,0,0]=4 1229 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [0,1,1,0,0,0|2,0,0]=4 1230 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [0,1,1,0,0,0|2,0,0]=4 1231 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [0,1,1,0,0,0|2,0,0]=4 1232 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [0,1,1,0,0,0|2,0,0]=4 1233 B10R0.97 CC(C)CCCOCC(=O)O MCULE-7389478050 [0,1,1,0,0,0|2,0,0]=4 1234 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,1,1,0,0,0|2,0,0]=4 1235 B10R0.18 COCCC(=O)CC(=O)OC MCULE-4389970400 [0,1,1,0,0,0|2,0,0]=4 1236 B10R0.32 CNCC(=O)N(C)CC(=O)O MCULE-2215254488 [0,1,1,0,0,0|1,0,1]=4 1237 B10R0.32 COCC(=O)N(C)CC(=O)O MCULE-5380620856 [0,1,1,0,0,0|0,0,1]=3 1238 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-2040975724 [0,1,1,0,0,0|1,0,1]=4 1239 B10R0.44 COC(=O)CC(C)CC(=O)O MCULE-8664626816 [0,1,1,0,0,0|1,0,1]=4 1240 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-3674114279 [0,1,1,0,0,0|1,0,1]=4 1241 B10R0.44 COC(=O)C[C@H](C)CC(=O)O MCULE-7834226828 [0,1,1,0,0,0|1,0,1]=4 1242 B10R0.81 COCCC(C)C(N)C(=O)O MCULE-6609752945 [0,1,1,0,0,0|1,0,0]=3 1243 B10R0.87 CCCCC(CC)CC(=O)O MCULE-3612456700 [0,1,1,0,0,0|2,0,0]=4 1244 B10R0.96 CC(C)CCC(C)CC(=O)O MCULE-4888752092 [0,1,1,0,0,0|2,0,0]=4 1245 B10R0.122 COCCS(=O)(=O)CC(=O)O MCULE-2594167795 [0,1,1,0,0,0|2,0,0]=4 1246 B10R0.29 CCCC(CC)CC(=O)OC MCULE-4866727110 [0,1,1,0,0,0|2,0,0]=4 1247 B10R0.70 CCC(CC(=O)O)CC(C)C MCULE-6944277794 [0,1,1,0,0,0|2,0,0]=4 1248 B10R0.70 CCN(CC(C)O)CC(C)O MCULE-5788318163 [0,1,1,0,0,0|1,0,1]=4 1249 B10R0.79 CC(O)CN(CCO)CCO MCULE-8265478234 [0,1,1,0,0,0|1,0,1]=4 1250 B10R0.79 CCCC(CCC)CC(=O)O MCULE-8562449211 [0,1,1,0,0,0|2,0,0]=4 1251 B10R0.79 CCCN(CCC)CC(=O)O MCULE-8482027545 [0,1,1,0,0,0|1,0,0]=3 1252 B10R0.79 O=C(O)CN(CCO)CCO MCULE-4763691774 [0,1,1,0,0,0|0,0,0]=2 1253 B10R1.1 C=CCN1CCC(=O)CC1 MCULE-3155757575 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.1 C=CCN1CCC(CC1)N MCULE-1406705326 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.1 C=CCN1CCC(CC1)O MCULE-8611142687 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.1 CC1CCN(CC1)CCO MCULE-4178888836 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.1 CN1CCC(CC1)CC=O MCULE-6560189529 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.1 CN1CCN(CC1)CC=O MCULE-6417512927 [1,1,0,0,0,0|1,0,0]=3 1259 B10R1.1 CN1CCN(CC1)CC=O MCULE-8201204319 [1,1,0,0,0,0|1,0,0]=3 1260 B10R1.1 CN1CCN(CC1)CCO MCULE-4627624306 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.1 CN1CCN(CC1)CCO MCULE-7563040404 [1,1,0,0,0,0|1,0,1]=4 1262 B10R1.1 CN1CCN(CC1)CCO MCULE-7918314394 [1,1,0,0,0,0|1,0,1]=4 1263 B10R1.1 NC1CCN(CC1)CCO MCULE-3741267032 [1,1,0,0,0,0|1,0,1]=4 1264 B10R1.1 NC1CCN(CC1)CCO MCULE-9643798529 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.1 NN1CCN(CC1)CCO MCULE-7661707409 [1,1,0,0,0,0|1,0,1]=4 1266 B10R1.1 O=C1CCN(CC1)CCO MCULE-2360004085 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.1 O=C1CCN(CC1)CCO MCULE-5166947377 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.1 O=S1CCN(CC1)CCO MCULE-4393501085 [1,1,0,0,0,0|0,1,1]=4 1269 B10R1.1 OCCN1CCC(CC1)O MCULE-9447332159 [1,1,0,0,0,0|1,0,1]=4 1270 B10R1.4 CC1CCCCN1CCO MCULE-3413721569 [1,1,0,0,0,0|1,0,1]=4 1271 B10R1.4 CC1CNCCN1CCO MCULE-8915999542 [1,1,0,0,0,0|1,0,1]=4 1272 B10R1.4 CC1COCCN1CCBr MCULE-3453130108 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.4 CC1COCCN1CCBr MCULE-4077694065 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.4 CC1COCCN1CCN MCULE-3508811259 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.4 CC1COCCN1CCO MCULE-1077858112 [1,1,0,0,0,0|0,0,1]=3 1276 B10R1.4 O=C1COCCN1CCO MCULE-6327231179 [1,1,0,0,0,0|0,0,2]=4 1277 B10R1.10 CC1CCCN(C1)CCO MCULE-8373122256 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.10 CC1CN(CCN1)CCO MCULE-6517497535 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.10 CC1CN(CCO1)CCBr MCULE-7974385203 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.10 CC1CN(CCO1)CCBr MCULE-9484577692 [1,1,0,0,0,0|1,0,1]=4 1281 B10R1.10 CC1CN(CCO1)CCN MCULE-4720011285 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.10 CC1CN(CCO1)CCO MCULE-9558251373 [1,1,0,0,0,0|0,0,1]=3 1283 B10R1.10 C[C@@H]1CN(CCN1)CCO MCULE-2585788893 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.10 C[C@@H]1CN(CCN1)CCO MCULE-7178729235 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.10 NC1CCCN(C1)CCO MCULE-3180427579 [1,1,0,0,0,0|1,0,1]=4 1286 B10R1.10 NC1CCCN(C1)CCO MCULE-7451366101 [1,1,0,0,0,0|1,0,1]=4 1287 B10R1.10 N[C@@H]1CCCN(C1)CCO MCULE-3984802535 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.10 N[C@@H]1CCCN(C1)CCO MCULE-7144066604 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.10 N[C@@H]1CCCN(C1)CCO MCULE-8158500072 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.10 N[C@@H]1CCCN(C1)CCO MCULE-8264246866 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.15 C=CC(=O)N1CCOCC1 MCULE-4008562517 [1,1,0,0,0,0|1,0,1]=4 1292 B10R1.15 C=CC(N)C1CCOCC1 MCULE-5582342577 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.15 CC(C#N)N1CCOCC1 MCULE-4722517021 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.15 CC(C=O)C1CCCCC1 MCULE-8646762788 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.15 CC(CCl)N1CCOCC1 MCULE-5138615589 [1,1,0,0,0,0|1,0,1]=4 1296 B10R1.15 CC(CCl)N1CCOCC1 MCULE-8012783719 [1,1,0,0,0,0|1,0,1]=4 1297 B10R1.15 CC(CN)N1CCOCC1 MCULE-2917271175 [1,1,0,0,0,0|1,0,1]=4 1298 B10R1.15 CC(CO)C1CCOCC1 MCULE-2291779221 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.15 CC(CO)N1CCCCC1 MCULE-4402990422 [1,1,0,0,0,0|1,0,1]=4 1300 B10R1.15 CC(CO)N1CCCCC1 MCULE-5772863437 [1,1,0,0,0,0|1,0,1]=4 1301 B10R1.15 CC(CO)N1CCNCC1 MCULE-7240409844 [1,1,0,0,0,0|1,0,1]=4 1302 B10R1.15 CC(CO)N1CCNCC1 MCULE-8768522295 [1,1,0,0,0,0|1,0,1]=4 1303 B10R1.15 CC(CO)N1CCOCC1 MCULE-6653758786 [1,1,0,0,0,0|0,0,1]=3 1304 B10R1.15 CCC(C)N1CCOCC1 MCULE-8740835800 [1,1,0,0,0,0|1,0,1]=4 1305 B10R1.15 CCC(C)N1CCOCC1 MCULE-9063029957 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.15 C[C@@H](CO)N1CCNCC1 MCULE-7621619260 [1,1,0,0,0,0|1,0,1]=4 1307 B10R1.15 C[C@@H](CO)N1CCOCC1 MCULE-6953620623 [1,1,0,0,0,0|0,0,1]=3 1308 B10R1.15 N/C(=N\O)/N1CCOCC1 MCULE-1492613638 [1,1,0,0,0,0|1,0,1]=4 1309 B10R1.15 NC(CO)C1CCOCC1 MCULE-4207996874 [1,1,0,0,0,0|1,0,1]=4 1310 B10R1.15 NC(CO)C1CCOCC1 MCULE-6646407511 [1,1,0,0,0,0|1,0,1]=4 1311 B10R1.15 O=C(CO)N1CCOCC1 MCULE-9777246982 [1,1,0,0,0,0|0,0,2]=4 1312 B10R1.17 BrCCCN1CCOCC1 MCULE-1643754366 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.17 BrCCCN1CCOCC1 MCULE-6622976511 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.17 BrCCCN1CCOCC1 MCULE-6735475494 [1,1,0,0,0,0|1,0,1]=4 1315 B10R1.17 C#CCCN1CCOCC1 MCULE-9594418280 [1,1,0,0,0,0|1,0,1]=4 1316 B10R1.17 C=CCCN1CCNCC1 MCULE-8394131311 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.17 CCCCN1CCOCC1 MCULE-4322074086 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.17 CNCCN1CCOCC1 MCULE-2616317234 [1,1,0,0,0,0|1,0,1]=4 1319 B10R1.17 CNCCN1CCOCC1 MCULE-5792188030 [1,1,0,0,0,0|1,0,1]=4 1320 B10R1.17 CNCCN1CCOCC1 MCULE-8073120937 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.17 COCCN1CCNCC1 MCULE-5679558428 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.17 COCCN1CCOCC1 MCULE-5361823472 [1,1,0,0,0,0|0,0,1]=3 1323 B10R1.17 CONCC1CCOCC1 MCULE-3958029330 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.17 ClCCCN1CCOCC1 MCULE-1348239537 [1,1,0,0,0,0|1,0,1]=4 1325 B10R1.17 ClCCCN1CCOCC1 MCULE-1878214428 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.17 ICCCN1CCOCC1 MCULE-1398213615 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.17 ICCCN1CCOCC1 MCULE-2170636775 [1,1,0,0,0,0|1,0,1]=4 1328 B10R1.17 ICCCN1CCOCC1 MCULE-5901974132 [1,1,0,0,0,0|1,0,1]=4 1329 B10R1.17 N#CC=CN1CCOCC1 MCULE-4962158283 [1,1,0,0,0,0|1,0,1]=4 1330 B10R1.17 N#CCCN1CCOCC1 MCULE-1587435860 [1,1,0,0,0,0|1,0,1]=4 1331 B10R1.17 NCCCN1CCOCC1 MCULE-1538886983 [1,1,0,0,0,0|1,0,1]=4 1332 B10R1.17 NNCCN1CCOCC1 MCULE-1400607768 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.17 NNCCN1CCOCC1 MCULE-4639165181 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.17 NNCCN1CCOCC1 MCULE-5335237413 [1,1,0,0,0,0|1,0,1]=4 1335 B10R1.17 NNCCN1CCOCC1 MCULE-6123283218 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.17 O=C=NCC1CCOCC1 MCULE-2100162057 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.17 O=CCCC1CCCCC1 MCULE-7542460978 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.17 O=CCCC1CCOCC1 MCULE-9926976903 [1,1,0,0,0,0|1,0,0]=3 1339 B10R1.17 O=CCCN1CCCCC1 MCULE-1060522965 [1,1,0,0,0,0|1,0,0]=3 1340 B10R1.17 O=CCCN1CCOCC1 MCULE-6110490684 [1,1,0,0,0,0|0,0,0]=2 1341 B10R1.17 O=CCOC1CCCCC1 MCULE-6729274923 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.17 O=CCOC1CCOCC1 MCULE-9271510143 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.17 OCCCC1CCOCC1 MCULE-4181244746 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.17 OCCCN1CCCCC1 MCULE-8412207622 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.17 OCCCN1CCNCC1 MCULE-5377933441 [1,1,0,0,0,0|1,0,1]=4 1346 B10R1.17 OCCCN1CCNCC1 MCULE-7253946968 [1,1,0,0,0,0|1,0,1]=4 1347 B10R1.17 OCCCN1CCOCC1 MCULE-2404532157 [1,1,0,0,0,0|0,0,1]=3 1348 B10R1.17 OCCCN1CCSCC1 MCULE-2615999032 [1,1,0,0,0,0|0,1,1]=4 1349 B10R1.17 OCCNC1CCOCC1 MCULE-6554373438 [1,1,0,0,0,0|1,0,1]=4 1350 B10R1.17 OCCOC1CCOCC1 MCULE-1971491679 [1,1,0,0,0,0|1,0,1]=4 1351 B10R1.377 C=CCC1(CCOCC1)N MCULE-4847163192 [1,1,0,0,0,0|2,0,0]=4 1352 B10R1.377 C=CCC1(CCOCC1)O MCULE-1138503019 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.377 C[N+]1(CCOCC1)CCO MCULE-4369916872 [1,1,0,0,0,0|0,0,2]=4 1354 B10R1.377 C[N+]1(CCOCC1)CCO MCULE-4609295310 [1,1,0,0,0,0|0,0,2]=4 1355 B10R1.377 NC1(CCOCC1)CCO MCULE-2934283253 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.377 NC1(CCOCC1)CCO MCULE-7122797119 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.377 O=CCC1(CCOCC1)O MCULE-1529294494 [1,1,0,0,0,0|1,0,0]=3 1358 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,1,0,0,1,0|2,0,0]=4 1359 B10R1.13 C=C1CCN(CC1)C(=O)C MCULE-2270885590 [0,1,0,0,1,0|2,0,0]=4 1360 B10R1.13 CC(=O)N1CCC(=O)CC1 MCULE-4679585330 [0,1,0,0,1,0|2,0,0]=4 1361 B10R1.13 CC(=O)N1CCC(CC1)Br MCULE-7581602454 [0,1,0,0,1,0|2,0,0]=4 1362 B10R1.13 CC(=O)N1CCC(CC1)C MCULE-9452710468 [0,1,0,0,1,0|2,0,0]=4 1363 B10R1.13 CC(=O)N1CCC(CC1)Cl MCULE-5276244903 [0,1,0,0,1,0|2,0,0]=4 1364 B10R1.13 CC(=O)N1CCC(CC1)I MCULE-1480854820 [0,1,0,0,1,0|2,0,0]=4 1365 B10R1.13 CC(=O)N1CCC(CC1)N MCULE-3741121628 [0,1,0,0,1,0|2,0,0]=4 1366 B10R1.13 CC(=O)N1CCC(CC1)N MCULE-5857549421 [0,1,0,0,1,0|2,0,0]=4 1367 B10R1.13 CC(=O)N1CCC(CC1)N MCULE-6409788828 [0,1,0,0,1,0|2,0,0]=4 1368 B10R1.13 CC(=O)N1CCC(CC1)O MCULE-8657432815 [0,1,0,0,1,0|2,0,0]=4 1369 B10R1.13 CC(=O)N1CCN(CC1)C MCULE-8901659877 [0,1,0,0,1,0|2,0,0]=4 1370 B10R1.13 CC(=O)N1CCN(CC1)C MCULE-9588311278 [0,1,0,0,1,0|2,0,0]=4 1371 B10R1.13 CC1CCC(CC1)C(=O)O MCULE-3225182334 [0,1,0,0,1,0|2,0,0]=4 1372 B10R1.13 CC1CCN(CC1)C(=O)Cl MCULE-7961285873 [0,1,0,0,1,0|2,0,0]=4 1373 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-1330176845 [0,1,0,0,1,0|2,0,0]=4 1374 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-2860414660 [0,1,0,0,1,0|2,0,0]=4 1375 B10R1.13 CN1CCN(CC1)C(=O)Cl MCULE-1391184075 [0,1,0,0,1,0|2,0,0]=4 1376 B10R1.13 CN1CCN(CC1)C(=O)Cl MCULE-7075332753 [0,1,0,0,1,0|2,0,0]=4 1377 B10R1.13 CN1CCN(CC1)C(=O)O MCULE-3645740759 [0,1,0,0,1,0|1,0,0]=3 1378 B10R1.13 CN1CCN(CC1)C(=O)O MCULE-3916839663 [0,1,0,0,1,0|1,0,0]=3 1379 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O MCULE-3272652270 [0,1,0,0,1,0|2,0,0]=4 1380 B10R1.13 C[C@H]1CC[C@H](CC1)C(=O)O MCULE-7434442752 [0,1,0,0,1,0|2,0,0]=4 1381 B10R1.13 NC(=O)N1CCC(=O)CC1 MCULE-3885416966 [0,1,0,0,1,0|2,0,0]=4 1382 B10R1.13 NC(=O)N1CCC(CC1)N MCULE-3646405188 [0,1,0,0,1,0|2,0,0]=4 1383 B10R1.13 NC(=O)N1CCC(CC1)N MCULE-9726087016 [0,1,0,0,1,0|2,0,0]=4 1384 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,1,0,0,1,0|2,0,0]=4 1385 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,1,0,0,1,0|2,0,0]=4 1386 B10R1.13 NC1CCN(CC1)C(=O)F MCULE-6953007245 [0,1,0,0,1,0|2,0,0]=4 1387 B10R1.13 NC1CCN(CC1)C(=O)F MCULE-8656170023 [0,1,0,0,1,0|2,0,0]=4 1388 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,1,0,0,1,0|2,0,0]=4 1389 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,1,0,0,1,0|2,0,0]=4 1390 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,1,0,0,1,0|2,0,0]=4 1391 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,1,0,0,1,0|2,0,0]=4 1392 B10R1.13 O=C(O)C1CCC(CC1)Br MCULE-4952970959 [0,1,0,0,1,0|2,0,0]=4 1393 B10R1.13 O=C(O)C1CCC(CC1)Cl MCULE-9596975674 [0,1,0,0,1,0|2,0,0]=4 1394 B10R1.13 O=C(O)C1CCC(CC1)F MCULE-8237318279 [0,1,0,0,1,0|2,0,0]=4 1395 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,1,0,0,1,0|2,0,0]=4 1396 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)F MCULE-9036564869 [0,1,0,0,1,0|2,0,0]=4 1397 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,1,0,0,1,0|2,0,0]=4 1398 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)F MCULE-1112147502 [0,1,0,0,1,0|2,0,0]=4 1399 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,1,0,0,1,0|2,0,0]=4 1400 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,1,0,0,1,0|2,0,0]=4 1401 B10R1.13 O=C1CCN(CC1)C(=O)Cl MCULE-2916786260 [0,1,0,0,1,0|2,0,0]=4 1402 B10R1.28 CS(=O)(=O)N1CCOCC1 MCULE-4029971412 [0,1,0,0,1,0|1,0,1]=4 1403 B10R1.28 NS(=O)(=O)N1CCOCC1 MCULE-1759959478 [0,1,0,0,1,0|1,0,1]=4 1404 B10R1.28 O=S(=O)(Cl)N1CCOCC1 MCULE-1466208513 [0,1,0,0,1,0|1,0,1]=4 1405 B10R1.61 CC(=O)N1CCNCC1C MCULE-6582439823 [0,1,0,0,1,0|2,0,0]=4 1406 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [0,1,0,0,1,0|2,0,0]=4 1407 B10R1.61 CC1CCCCN1C(=O)Cl MCULE-6389946008 [0,1,0,0,1,0|2,0,0]=4 1408 B10R1.61 CC1CNCCC1C(=O)O MCULE-4662714630 [0,1,0,0,1,0|2,0,0]=4 1409 B10R1.61 CC1CNCCC1C(=O)O MCULE-7019458300 [0,1,0,0,1,0|2,0,0]=4 1410 B10R1.61 CC1COCCC1C(=O)O MCULE-3541844170 [0,1,0,0,1,0|1,0,0]=3 1411 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [0,1,0,0,1,0|2,0,0]=4 1412 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [0,1,0,0,1,0|2,0,0]=4 1413 B10R1.61 NC1COCCC1C(=O)O MCULE-3475622537 [0,1,0,0,1,0|1,0,0]=3 1414 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [0,1,0,0,1,0|2,0,0]=4 1415 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [0,1,0,0,1,0|2,0,0]=4 1416 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [0,1,0,0,1,0|2,0,0]=4 1417 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [0,1,0,0,1,0|2,0,0]=4 1418 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [0,1,0,0,1,0|2,0,0]=4 1419 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [0,1,0,0,1,0|2,0,0]=4 1420 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [0,1,0,0,1,0|2,0,0]=4 1421 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [0,1,0,0,1,0|2,0,0]=4 1422 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [0,1,0,0,1,0|2,0,0]=4 1423 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [0,1,0,0,1,0|2,0,0]=4 1424 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [0,1,0,0,1,0|2,0,0]=4 1425 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [0,1,0,0,1,0|2,0,0]=4 1426 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [0,1,0,0,1,0|2,0,0]=4 1427 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [0,1,0,0,1,0|2,0,0]=4 1428 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [0,1,0,0,1,0|2,0,0]=4 1429 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [0,1,0,0,1,0|2,0,0]=4 1430 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O MCULE-4608934385 [0,1,0,0,1,0|1,0,0]=3 1431 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O MCULE-7590284479 [0,1,0,0,1,0|1,0,0]=3 1432 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [0,1,0,0,1,0|2,0,0]=4 1433 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [0,1,0,0,1,0|2,0,0]=4 1434 B10R1.61 O=C(O)C1CCNCC1F MCULE-5749357486 [0,1,0,0,1,0|2,0,0]=4 1435 B10R1.61 O=C(O)C1CCNCC1F MCULE-7431262807 [0,1,0,0,1,0|2,0,0]=4 1436 B10R1.113 CC(=O)N1CCCC(C1)Br MCULE-2395158010 [0,1,0,0,1,0|2,0,0]=4 1437 B10R1.113 CC(=O)N1CCCC(C1)C MCULE-5497136448 [0,1,0,0,1,0|2,0,0]=4 1438 B10R1.113 CC(=O)N1CCCC(C1)Cl MCULE-9659356353 [0,1,0,0,1,0|2,0,0]=4 1439 B10R1.113 CC(=O)N1CCCC(C1)I MCULE-6220033653 [0,1,0,0,1,0|2,0,0]=4 1440 B10R1.113 CC(=O)N1CCCC(C1)N MCULE-4642648861 [0,1,0,0,1,0|2,0,0]=4 1441 B10R1.113 CC(=O)N1CCCC(C1)N MCULE-7081928105 [0,1,0,0,1,0|2,0,0]=4 1442 B10R1.113 CC(=O)N1CCCC(C1)O MCULE-4557043332 [0,1,0,0,1,0|2,0,0]=4 1443 B10R1.113 CC(=O)N1CCC[C@@H](C1)Br MCULE-1763543062 [0,1,0,0,1,0|2,0,0]=4 1444 B10R1.113 CC(=O)N1CCC[C@@H](C1)Cl MCULE-4405318233 [0,1,0,0,1,0|2,0,0]=4 1445 B10R1.113 CC(=O)N1CCC[C@@H](C1)I MCULE-5702312890 [0,1,0,0,1,0|2,0,0]=4 1446 B10R1.113 CC(=O)N1CCC[C@@H](C1)N MCULE-2900342300 [0,1,0,0,1,0|2,0,0]=4 1447 B10R1.113 CC(=O)N1CCC[C@@H](C1)N MCULE-5325252584 [0,1,0,0,1,0|2,0,0]=4 1448 B10R1.113 CC(=O)N1CCC[C@@H](C1)N MCULE-9462446118 [0,1,0,0,1,0|2,0,0]=4 1449 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-1777848146 [0,1,0,0,1,0|2,0,0]=4 1450 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-5198604448 [0,1,0,0,1,0|2,0,0]=4 1451 B10R1.113 CC(=O)N1CCC[C@H](C1)Br MCULE-3345623932 [0,1,0,0,1,0|2,0,0]=4 1452 B10R1.113 CC(=O)N1CCC[C@H](C1)Cl MCULE-5466650776 [0,1,0,0,1,0|2,0,0]=4 1453 B10R1.113 CC(=O)N1CCC[C@H](C1)I MCULE-7518944169 [0,1,0,0,1,0|2,0,0]=4 1454 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-2743229947 [0,1,0,0,1,0|2,0,0]=4 1455 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-2860088162 [0,1,0,0,1,0|2,0,0]=4 1456 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-5518465296 [0,1,0,0,1,0|2,0,0]=4 1457 B10R1.113 CC(=O)N1CCC[C@H](C1)N MCULE-8760084774 [0,1,0,0,1,0|2,0,0]=4 1458 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-4329362874 [0,1,0,0,1,0|2,0,0]=4 1459 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-8344466566 [0,1,0,0,1,0|2,0,0]=4 1460 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-1749099012 [0,1,0,0,1,0|2,0,0]=4 1461 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-4189398962 [0,1,0,0,1,0|2,0,0]=4 1462 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-7900688171 [0,1,0,0,1,0|2,0,0]=4 1463 B10R1.113 CC(=O)N1CCNC(C1)C MCULE-8054126230 [0,1,0,0,1,0|2,0,0]=4 1464 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-2542056943 [0,1,0,0,1,0|2,0,0]=4 1465 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-4899426531 [0,1,0,0,1,0|2,0,0]=4 1466 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-8214824181 [0,1,0,0,1,0|2,0,0]=4 1467 B10R1.113 CC(=O)N1CCN[C@H](C1)C MCULE-9555237590 [0,1,0,0,1,0|2,0,0]=4 1468 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-7720743223 [0,1,0,0,1,0|2,0,0]=4 1469 B10R1.113 CC1CC(CCN1)C(=O)O MCULE-8584436669 [0,1,0,0,1,0|2,0,0]=4 1470 B10R1.113 CC1CC(CCO1)C(=O)O MCULE-8051149188 [0,1,0,0,1,0|1,0,0]=3 1471 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,1,0,0,1,0|2,0,0]=4 1472 B10R1.113 CC1CCCN(C1)C(=O)Cl MCULE-9803843077 [0,1,0,0,1,0|2,0,0]=4 1473 B10R1.113 CC1CN(CCO1)C(=S)N MCULE-1180233201 [0,1,0,0,1,0|1,1,0]=4 1474 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,1,0,0,1,0|2,0,0]=4 1475 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,1,0,0,1,0|2,0,0]=4 1476 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-6500795104 [0,1,0,0,1,0|2,0,0]=4 1477 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O MCULE-9135304432 [0,1,0,0,1,0|2,0,0]=4 1478 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,1,0,0,1,0|2,0,0]=4 1479 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,1,0,0,1,0|2,0,0]=4 1480 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-3777490064 [0,1,0,0,1,0|2,0,0]=4 1481 B10R1.113 C[C@H]1C[C@H](CCN1)C(=O)O MCULE-7587755997 [0,1,0,0,1,0|2,0,0]=4 1482 B10R1.113 NC(=O)N1CCCC(C1)N MCULE-6231215658 [0,1,0,0,1,0|2,0,0]=4 1483 B10R1.113 NC(=O)N1CCCC(C1)N MCULE-7051693066 [0,1,0,0,1,0|2,0,0]=4 1484 B10R1.113 NC(=O)N1CCC[C@H](C1)N MCULE-7905125532 [0,1,0,0,1,0|2,0,0]=4 1485 B10R1.113 NC(=O)N1CCC[C@H](C1)N MCULE-9518047308 [0,1,0,0,1,0|2,0,0]=4 1486 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,1,0,0,1,0|2,0,0]=4 1487 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,1,0,0,1,0|2,0,0]=4 1488 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,1,0,0,1,0|2,0,0]=4 1489 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,1,0,0,1,0|2,0,0]=4 1490 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,1,0,0,1,0|2,0,0]=4 1491 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,1,0,0,1,0|2,0,0]=4 1492 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,1,0,0,1,0|2,0,0]=4 1493 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,1,0,0,1,0|2,0,0]=4 1494 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,1,0,0,1,0|2,0,0]=4 1495 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,1,0,0,1,0|2,0,0]=4 1496 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,1,0,0,1,0|2,0,0]=4 1497 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,1,0,0,1,0|2,0,0]=4 1498 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,1,0,0,1,0|2,0,0]=4 1499 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,1,0,0,1,0|2,0,0]=4 1500 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,1,0,0,1,0|2,0,0]=4 1501 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,1,0,0,1,0|2,0,0]=4 1502 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,1,0,0,1,0|2,0,0]=4 1503 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,1,0,0,1,0|2,0,0]=4 1504 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,1,0,0,1,0|2,0,0]=4 1505 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,1,0,0,1,0|2,0,0]=4 1506 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,1,0,0,1,0|2,0,0]=4 1507 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,1,0,0,1,0|2,0,0]=4 1508 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,1,0,0,1,0|2,0,0]=4 1509 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,1,0,0,1,0|2,0,0]=4 1510 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,1,0,0,1,0|2,0,0]=4 1511 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,1,0,0,1,0|2,0,0]=4 1512 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,1,0,0,1,0|2,0,0]=4 1513 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,1,0,0,1,0|2,0,0]=4 1514 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,1,0,0,1,0|2,0,0]=4 1515 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,1,0,0,1,0|2,0,0]=4 1516 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,1,0,0,1,0|2,0,0]=4 1517 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,1,0,0,1,0|2,0,0]=4 1518 B10R1.363 CC(=O)C1(CCOCC1)C MCULE-6994899414 [0,1,0,0,1,0|2,0,0]=4 1519 B10R1.363 CC(=O)C1(CCOCC1)O MCULE-4174424855 [0,1,0,0,1,0|2,0,0]=4 1520 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [0,1,0,0,1,0|2,0,0]=4 1521 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-5925956345 [0,1,0,0,1,0|2,0,0]=4 1522 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-9595642308 [0,1,0,0,1,0|2,0,0]=4 1523 B10R1.363 CC1(CCOCC1)C(=O)O MCULE-6824729734 [0,1,0,0,1,0|1,0,0]=3 1524 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [0,1,0,0,1,0|1,1,0]=4 1525 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-2419590647 [0,1,0,0,1,0|2,0,0]=4 1526 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-4475585786 [0,1,0,0,1,0|2,0,0]=4 1527 B10R1.363 NC(=O)C1(CCOCC1)O MCULE-6043002573 [0,1,0,0,1,0|2,0,0]=4 1528 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [0,1,0,0,1,0|2,0,0]=4 1529 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [0,1,0,0,1,0|2,0,0]=4 1530 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [0,1,0,0,1,0|2,0,0]=4 1531 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [0,1,0,0,1,0|2,0,0]=4 1532 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [0,1,0,0,1,0|2,0,0]=4 1533 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [0,1,0,0,1,0|1,0,0]=3 1534 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [0,1,0,0,1,0|1,0,0]=3 1535 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [0,1,0,0,1,0|1,1,0]=4 1536 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [0,1,0,0,1,0|1,1,0]=4 1537 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [0,1,0,0,1,0|2,0,0]=4 1538 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [0,1,0,0,1,0|2,0,0]=4 1539 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [0,1,0,0,1,0|2,0,0]=4 1540 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [0,1,0,0,1,0|2,0,0]=4 1541 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-1312767997 [0,1,0,0,1,0|2,0,0]=4 1542 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-5915477961 [0,1,0,0,1,0|2,0,0]=4 1543 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-4619147711 [0,1,0,0,1,0|2,0,0]=4 1544 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-6538244346 [0,1,0,0,1,0|2,0,0]=4 1545 B10R1.363 O=C(O)C1(CCOCC1)F MCULE-7783441156 [0,1,0,0,1,0|1,0,0]=3 1546 B10R1.363 O=C(O)C1(CCOCC1)O MCULE-4186201239 [0,1,0,0,1,0|1,0,0]=3 1547 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [0,1,0,0,1,0|1,1,0]=4 1548 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [0,1,0,0,1,0|2,0,0]=4 1549 B10R1.23 CC(=C1CCCC1)C(=O)O MCULE-3562031446 [0,1,0,0,1,0|1,0,1]=4 1550 B10R1.23 CC(C(=O)N)N1CCCC1 MCULE-9785241457 [0,1,0,0,1,0|1,0,0]=3 1551 B10R1.23 CC(C(=O)O)C1CCCC1 MCULE-5802736245 [0,1,0,0,1,0|1,0,0]=3 1552 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [0,1,0,0,1,0|2,0,0]=4 1553 B10R1.23 CC(C(=O)O)C1CCOC1 MCULE-7866218529 [0,1,0,0,1,0|1,0,0]=3 1554 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-1089880160 [0,1,0,0,1,0|0,0,0]=2 1555 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-6643699902 [0,1,0,0,1,0|0,0,0]=2 1556 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-9316791928 [0,1,0,0,1,0|0,0,0]=2 1557 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3614375066 [0,1,0,0,1,0|0,0,0]=2 1558 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3855579270 [0,1,0,0,1,0|0,0,0]=2 1559 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8338161515 [0,1,0,0,1,0|0,0,0]=2 1560 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8839356147 [0,1,0,0,1,0|0,0,0]=2 1561 B10R1.23 NC(=O)C(F)C1CCCC1 MCULE-2132325699 [0,1,0,0,1,0|2,0,0]=4 1562 B10R1.23 NC(=O)C(N)C1CCCC1 MCULE-5304987336 [0,1,0,0,1,0|2,0,0]=4 1563 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7146175523 [0,1,0,0,1,0|1,0,0]=3 1564 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7746486136 [0,1,0,0,1,0|1,0,0]=3 1565 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-9888348666 [0,1,0,0,1,0|1,0,0]=3 1566 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [0,1,0,0,1,0|2,0,0]=4 1567 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-1642984994 [0,1,0,0,1,0|2,0,0]=4 1568 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-8012924580 [0,1,0,0,1,0|2,0,0]=4 1569 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [0,1,0,0,1,0|1,0,0]=3 1570 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-2078695461 [0,1,0,0,1,0|1,0,0]=3 1571 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-7548517913 [0,1,0,0,1,0|1,0,0]=3 1572 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-1391706498 [0,1,0,0,1,0|1,0,0]=3 1573 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-5447481000 [0,1,0,0,1,0|1,0,0]=3 1574 B10R1.23 O=C(O)C(=C1CCCC1)F MCULE-7724617873 [0,1,0,0,1,0|1,0,1]=4 1575 B10R1.23 O=C(O)C(=C1CCCC1)S MCULE-2991118664 [0,1,0,0,1,0|1,0,1]=4 1576 B10R1.23 O=C(O)C(=O)C1CCCC1 MCULE-3971745471 [0,1,0,0,1,0|1,0,1]=4 1577 B10R1.23 O=C(O)C(=O)C1CCOC1 MCULE-9419104810 [0,1,0,0,1,0|1,0,1]=4 1578 B10R1.23 O=C(O)C(=O)N1CCCC1 MCULE-9901176707 [0,1,0,0,1,0|0,0,1]=3 1579 B10R1.23 O=C(O)C(Br)C1CCCC1 MCULE-1051918450 [0,1,0,0,1,0|1,0,0]=3 1580 B10R1.23 O=C(O)C(F)C1CCCC1 MCULE-8637303916 [0,1,0,0,1,0|1,0,0]=3 1581 B10R1.23 O=C(O)C(F)C1CCOC1 MCULE-4380204267 [0,1,0,0,1,0|1,0,0]=3 1582 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,1,0,0,1,0|1,0,0]=3 1583 B10R1.23 O=C(O)C(O)C1CCNC1 MCULE-8304713060 [0,1,0,0,1,0|2,0,0]=4 1584 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 MCULE-6560406332 [0,1,0,0,1,0|1,0,0]=3 1585 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,1,0,0,1,0|1,0,0]=3 1586 B10R1.27 CC(CO)CN1CCCC1 MCULE-5182283403 [0,1,0,0,1,0|1,0,1]=4 1587 B10R1.27 CCC(O)CN1CCCC1 MCULE-5824673052 [0,1,0,0,1,0|1,0,1]=4 1588 B10R1.27 COC(=O)C=C1CCCC1 MCULE-7918747282 [0,1,0,0,1,0|1,0,1]=4 1589 B10R1.27 COC(=O)CC1=CCCC1 MCULE-8638739617 [0,1,0,0,1,0|1,0,1]=4 1590 B10R1.27 COC(=O)CC1CCCC1 MCULE-9342597891 [0,1,0,0,1,0|1,0,0]=3 1591 B10R1.27 COC(=O)CC1CCCN1 MCULE-5803935472 [0,1,0,0,1,0|2,0,0]=4 1592 B10R1.27 COC(=O)CC1CCCN1 MCULE-8428971594 [0,1,0,0,1,0|2,0,0]=4 1593 B10R1.27 COC(=O)CC1CCCN1 MCULE-8962564154 [0,1,0,0,1,0|2,0,0]=4 1594 B10R1.27 COC(=O)CC1CCCN1 MCULE-9463345165 [0,1,0,0,1,0|2,0,0]=4 1595 B10R1.27 COC(=O)CC1CCCO1 MCULE-5045576239 [0,1,0,0,1,0|2,0,0]=4 1596 B10R1.27 COC(=O)CC1CCNC1 MCULE-1335311848 [0,1,0,0,1,0|2,0,0]=4 1597 B10R1.27 COC(=O)CC1CCNC1 MCULE-1342941310 [0,1,0,0,1,0|2,0,0]=4 1598 B10R1.27 COC(=O)CC1CCOC1 MCULE-5503781159 [0,1,0,0,1,0|1,0,0]=3 1599 B10R1.27 COC(=O)CN1CCCC1 MCULE-6435350712 [0,1,0,0,1,0|0,0,0]=2 1600 B10R1.27 COC(=O)C[C@@H]1CCCN1 MCULE-3432361428 [0,1,0,0,1,0|2,0,0]=4 1601 B10R1.27 COC(=O)C[C@@H]1CCCN1 MCULE-4923467879 [0,1,0,0,1,0|2,0,0]=4 1602 B10R1.27 COC(=O)C[C@@H]1CCCN1 MCULE-7489755473 [0,1,0,0,1,0|2,0,0]=4 1603 B10R1.27 COC(=O)C[C@@H]1CCCN1 MCULE-9818066506 [0,1,0,0,1,0|2,0,0]=4 1604 B10R1.27 COC(=O)C[C@@H]1CCNC1 MCULE-2278430991 [0,1,0,0,1,0|2,0,0]=4 1605 B10R1.27 COC(=O)C[C@@H]1CCNC1 MCULE-7607667453 [0,1,0,0,1,0|2,0,0]=4 1606 B10R1.27 COC(=O)C[C@@H]1CCNC1 MCULE-7633055222 [0,1,0,0,1,0|2,0,0]=4 1607 B10R1.27 COC(=O)C[C@@H]1CCNC1 MCULE-8491722899 [0,1,0,0,1,0|2,0,0]=4 1608 B10R1.27 COC(=O)C[C@H]1CCCN1 MCULE-3400926095 [0,1,0,0,1,0|2,0,0]=4 1609 B10R1.27 COC(=O)C[C@H]1CCCN1 MCULE-3995901791 [0,1,0,0,1,0|2,0,0]=4 1610 B10R1.27 COC(=O)C[C@H]1CCCN1 MCULE-6386262688 [0,1,0,0,1,0|2,0,0]=4 1611 B10R1.27 COC(=O)C[C@H]1CCCN1 MCULE-9243040577 [0,1,0,0,1,0|2,0,0]=4 1612 B10R1.27 COC(=O)C[C@H]1CCNC1 MCULE-2917470545 [0,1,0,0,1,0|2,0,0]=4 1613 B10R1.27 COC(=O)C[C@H]1CCNC1 MCULE-4018086942 [0,1,0,0,1,0|2,0,0]=4 1614 B10R1.27 COC(=O)C[C@H]1CCNC1 MCULE-5775187737 [0,1,0,0,1,0|2,0,0]=4 1615 B10R1.27 COC(=O)C[C@H]1CCNC1 MCULE-6881593954 [0,1,0,0,1,0|2,0,0]=4 1616 B10R1.27 N/C(=N/O)/CC1CCCC1 MCULE-5747462847 [0,1,0,0,1,0|2,0,0]=4 1617 B10R1.27 N/C(=N\O)/CN1CCCC1 MCULE-5899338944 [0,1,0,0,1,0|1,0,0]=3 1618 B10R1.27 NC(CO)CN1CCCC1 MCULE-5549240286 [0,1,0,0,1,0|1,0,1]=4 1619 B10R1.27 NC(CO)CN1CCCC1 MCULE-6994008599 [0,1,0,0,1,0|1,0,1]=4 1620 B10R1.27 NCC(O)CN1CCCC1 MCULE-9325741480 [0,1,0,0,1,0|1,0,1]=4 1621 B10R1.27 NNC(=O)CC1CCCC1 MCULE-6266427637 [0,1,0,0,1,0|2,0,0]=4 1622 B10R1.27 NNC(=O)CN1CCCC1 MCULE-5761608090 [0,1,0,0,1,0|1,0,0]=3 1623 B10R1.27 NNC(=O)CN1CCCC1 MCULE-6714198825 [0,1,0,0,1,0|1,0,0]=3 1624 B10R1.27 NNC(=O)CN1CCCC1 MCULE-7842314021 [0,1,0,0,1,0|1,0,0]=3 1625 B10R1.27 O=C(CO)NC1CCCC1 MCULE-7488310244 [0,1,0,0,1,0|2,0,0]=4 1626 B10R1.27 O=C(CO)OC1CCOC1 MCULE-1321570069 [0,1,0,0,1,0|2,0,0]=4 1627 B10R1.27 O=C(NO)OC1CCCC1 MCULE-8628794772 [0,1,0,0,1,0|2,0,0]=4 1628 B10R1.27 OCC(O)CN1CCCC1 MCULE-5801014059 [0,1,0,0,1,0|0,0,2]=4 1629 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-8783102670 [0,1,0,0,1,0|1,0,1]=4 1630 B10R1.54 CC1=NN(CC1)CC(=O)O MCULE-9676954551 [0,1,0,0,1,0|1,0,1]=4 1631 B10R1.54 CC1CCC(C1)CC(=O)O MCULE-2712956835 [0,1,0,0,1,0|1,0,0]=3 1632 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,1,0,0,1,0|2,0,0]=4 1633 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-1407049911 [0,1,0,0,1,0|0,0,0]=2 1634 B10R1.54 CC1CCN(C1)CC(=O)O MCULE-9097138381 [0,1,0,0,1,0|0,0,0]=2 1635 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-6518175603 [0,1,0,0,1,0|2,0,0]=4 1636 B10R1.54 CN1CCC(C1)CC(=O)O MCULE-7858558191 [0,1,0,0,1,0|2,0,0]=4 1637 B10R1.54 NC1CCN(C1)CC(=O)O MCULE-5943171118 [0,1,0,0,1,0|0,0,0]=2 1638 B10R1.54 NC1CCN(C1)CC(=O)O MCULE-9229773679 [0,1,0,0,1,0|0,0,0]=2 1639 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-2161728364 [0,1,0,0,1,0|0,0,0]=2 1640 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-8593996404 [0,1,0,0,1,0|0,0,0]=2 1641 B10R1.54 N[C@@H]1CCN(C1)CC(=O)O MCULE-8985734275 [0,1,0,0,1,0|0,0,0]=2 1642 B10R1.54 N[C@H]1CCN(C1)CC(=O)O MCULE-1503909439 [0,1,0,0,1,0|0,0,0]=2 1643 B10R1.54 N[C@H]1CCN(C1)CC(=O)O MCULE-6977922157 [0,1,0,0,1,0|0,0,0]=2 1644 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-7161298106 [0,1,0,0,1,0|2,0,0]=4 1645 B10R1.54 O=C(O)CC1CC(CN1)O MCULE-8476180516 [0,1,0,0,1,0|2,0,0]=4 1646 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [0,1,0,0,1,0|1,0,1]=4 1647 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,1,0,0,1,0|1,0,0]=3 1648 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [0,1,0,0,1,0|1,0,1]=4 1649 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-1558139461 [0,1,0,0,1,0|0,0,1]=3 1650 B10R1.54 O=C(O)CN1CCC(=O)C1 MCULE-6202445610 [0,1,0,0,1,0|0,0,1]=3 1651 B10R1.54 O=C(O)CN1CCC(C1)Br MCULE-3288536521 [0,1,0,0,1,0|0,0,0]=2 1652 B10R1.54 O=C(O)CN1CCC(C1)Cl MCULE-1930405641 [0,1,0,0,1,0|0,0,0]=2 1653 B10R1.54 O=C(O)CN1CCC(C1)I MCULE-4537982496 [0,1,0,0,1,0|0,0,0]=2 1654 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-7707471649 [0,1,0,0,1,0|0,0,0]=2 1655 B10R1.54 O=C(O)CN1CCC(C1)O MCULE-8936002282 [0,1,0,0,1,0|0,0,0]=2 1656 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-1249814394 [0,1,0,0,1,0|0,0,0]=2 1657 B10R1.54 O=C(O)CN1CC[C@@H](C1)O MCULE-2140738871 [0,1,0,0,1,0|0,0,0]=2 1658 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4416769889 [0,1,0,0,1,0|0,0,0]=2 1659 B10R1.54 O=C(O)CN1CC[C@H](C1)O MCULE-4926367147 [0,1,0,0,1,0|0,0,0]=2 1660 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-5520496479 [0,1,0,0,1,0|2,0,0]=4 1661 B10R1.54 O=C(O)C[C@@H]1CC(CN1)O MCULE-9606256613 [0,1,0,0,1,0|2,0,0]=4 1662 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,1,0,0,1,0|1,0,0]=3 1663 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-1516021519 [0,1,0,0,1,0|2,0,0]=4 1664 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-4246846585 [0,1,0,0,1,0|2,0,0]=4 1665 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-5090681884 [0,1,0,0,1,0|2,0,0]=4 1666 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-6554402545 [0,1,0,0,1,0|2,0,0]=4 1667 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-8720083389 [0,1,0,0,1,0|2,0,0]=4 1668 B10R1.54 O=C(O)C[C@@H]1C[C@H](CN1)O MCULE-9359661762 [0,1,0,0,1,0|2,0,0]=4 1669 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [0,1,0,0,1,0|1,0,1]=4 1670 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [0,1,0,0,1,0|1,0,1]=4 1671 B10R1.64 CC(=O)CN1CCCC1C MCULE-5489343795 [0,1,0,0,1,0|1,0,0]=3 1672 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [0,1,0,0,1,0|1,0,0]=3 1673 B10R1.64 CC1CCCN1CC(=O)O MCULE-5477147476 [0,1,0,0,1,0|0,0,0]=2 1674 B10R1.64 CC1CCCN1CC(=O)O MCULE-7787437864 [0,1,0,0,1,0|0,0,0]=2 1675 B10R1.64 CC1OCCC1CC(=O)O MCULE-3630286814 [0,1,0,0,1,0|1,0,0]=3 1676 B10R1.64 CN1CCCC1CC(=O)O MCULE-1900515698 [0,1,0,0,1,0|2,0,0]=4 1677 B10R1.64 CN1CCCC1CC(=O)O MCULE-4392051296 [0,1,0,0,1,0|2,0,0]=4 1678 B10R1.64 CN1CCC[C@H]1CC(=O)O MCULE-2926738632 [0,1,0,0,1,0|2,0,0]=4 1679 B10R1.64 N=C1NCCN1CC(=O)O MCULE-1045168738 [0,1,0,0,1,0|1,0,1]=4 1680 B10R1.64 N=C1SCCN1CC(=O)O MCULE-5189423573 [0,1,0,0,1,0|0,1,1]=4 1681 B10R1.64 N=C1SCCN1CC(=O)O MCULE-5306867506 [0,1,0,0,1,0|0,1,1]=4 1682 B10R1.64 NC(=O)CN1CCCC1=O MCULE-7645397226 [0,1,0,0,1,0|1,0,1]=4 1683 B10R1.64 NC1CCCC1CC(=O)O MCULE-7275948763 [0,1,0,0,1,0|1,0,0]=3 1684 B10R1.64 NC1CCCC1CC(=O)O MCULE-7852876693 [0,1,0,0,1,0|1,0,0]=3 1685 B10R1.64 O=C(O)CC1CCCC1=O MCULE-9371811615 [0,1,0,0,1,0|1,0,1]=4 1686 B10R1.64 O=C(O)CN1CCCC1=O MCULE-3122232316 [0,1,0,0,1,0|0,0,1]=3 1687 B10R1.64 O=C(O)CN1CCNC1=O MCULE-3675229228 [0,1,0,0,1,0|1,0,1]=4 1688 B10R1.64 O=C(O)CN1CCOC1=O MCULE-4152481351 [0,1,0,0,1,0|0,0,1]=3 1689 B10R1.64 O=C(O)CN1CCSC1=O MCULE-7099861777 [0,1,0,0,1,0|0,1,1]=4 1690 B10R1.64 O=C(O)CN1CSCC1=O MCULE-8731328410 [0,1,0,0,1,0|0,1,1]=4 1691 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [0,1,0,0,1,0|1,0,0]=3 1692 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-5280016961 [0,1,0,0,1,0|1,0,0]=3 1693 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-8706705761 [0,1,0,0,1,0|1,0,0]=3 1694 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [0,1,0,0,1,0|1,1,0]=4 1695 B10R1.370 O=C(O)CC1(CCCC1)O MCULE-7504539994 [0,1,0,0,1,0|1,0,0]=3 1696 B10R1.370 O=C(O)CC1(CCOC1)O MCULE-7553623965 [0,1,0,0,1,0|1,0,0]=3 1697 B12R1.21 CC(=O)CCN1CCN(CC1)C MCULE-5875119316 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.21 CC1CCC(CC1)OCC(=O)O MCULE-3906347654 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.21 CC1CCN(CC1)CCC(=O)N MCULE-9374395485 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.21 CC1CCN(CC1)CCC(=O)O MCULE-2878454112 [0,1,0,0,0,1|1,0,0]=3 1701 B12R1.21 CC1CC[NH+](CC1)CCC(=O)O MCULE-8844394642 [0,1,0,0,0,1|1,0,1]=4 1702 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-2352268379 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-5230181915 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-1028235136 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-1844187145 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-2824894839 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.21 CN1CCC(CC1)OCC(=O)O MCULE-2494292636 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.21 CN1CCC(CC1)OCC(=O)O MCULE-2925460339 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.21 CN1CCN(CC1)CCC(=O)O MCULE-1064558305 [0,1,0,0,0,1|1,0,0]=3 1710 B12R1.21 CN1CCN(CC1)CCC(=O)O MCULE-8851231968 [0,1,0,0,0,1|1,0,0]=3 1711 B12R1.21 C[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-7082492863 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.21 C[NH+]1CC[NH+](CC1)CCC(=O)O MCULE-4626055005 [0,1,0,0,0,1|1,0,1]=4 1713 B12R1.21 NC1CCC(CC1)CCC(=O)O MCULE-3578215541 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.21 NC1CCC(CC1)NCC(=O)O MCULE-5319227851 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.21 O=C(O)CCN1CCC(=O)CC1 MCULE-3345805432 [0,1,0,0,0,1|1,0,0]=3 1717 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9235280130 [0,1,0,0,0,1|1,0,0]=3 1718 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9990533659 [0,1,0,0,0,1|1,0,0]=3 1719 B12R1.21 O=C(O)CCN1CCS(=O)CC1 MCULE-2459585373 [0,1,0,0,0,1|0,1,0]=3 1720 B12R1.21 O=C(O)CNC1CCC(=O)CC1 MCULE-8506813160 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.21 O=C(O)CNC1CCC(CC1)Br MCULE-6782284499 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.21 O=C(O)CNC1CCC(CC1)Cl MCULE-6608935546 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.21 O=C(O)CNC1CCC(CC1)I MCULE-2374737750 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.21 O=C(O)CNC1CCC(CC1)O MCULE-5139328392 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.27 CNC(=O)CCN1CCOCC1 MCULE-4174589609 [0,1,0,0,0,1|1,0,0]=3 1726 B12R1.27 COC(=O)C=CN1CCOCC1 MCULE-6520205140 [0,1,0,0,0,1|0,0,1]=3 1727 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-4070291371 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-9899833979 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-8363403616 [0,1,0,0,0,1|1,0,0]=3 1731 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-9158799668 [0,1,0,0,0,1|1,0,0]=3 1732 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-7011490046 [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-9475157340 [0,1,0,0,0,1|1,0,0]=3 1734 B12R1.27 COC(=O)CCN1CCOCC1 MCULE-1223322617 [0,1,0,0,0,1|0,0,0]=2 1735 B12R1.27 COC(=O)CCN1CCSCC1 MCULE-4456368053 [0,1,0,0,0,1|0,1,0]=3 1736 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-3628546494 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-8461156941 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-2414362668 [0,1,0,0,0,1|1,0,0]=3 1739 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-9240609938 [0,1,0,0,0,1|1,0,0]=3 1740 B12R1.27 COC(=O)COC1CCCCC1 MCULE-2770584925 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.27 COC(=O)COC1CCNCC1 MCULE-1515730437 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.27 COC(=O)COC1CCNCC1 MCULE-4644132320 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.27 COC(=O)CSC1CCCCC1 MCULE-3029014522 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.27 N/C(=N/O)/CCN1CCCCC1 MCULE-6992526811 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.27 N/C(=N\O)/CCN1CCCCC1 MCULE-8593066538 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.27 N/C(=N\O)/CCN1CCOCC1 MCULE-7385493844 [0,1,0,0,0,1|1,0,0]=3 1747 B12R1.27 NCC(=O)NCC1CCOCC1 MCULE-1317835404 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.27 NCC(=O)NCC1CCOCC1 MCULE-5996578540 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.27 NNC(=O)CCN1CCCCC1 MCULE-1695375615 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.27 NNC(=O)CCN1CCOCC1 MCULE-1492545747 [0,1,0,0,0,1|1,0,0]=3 1751 B12R1.27 O=C(CCC1CCCCC1)NO MCULE-7475709240 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.27 O=C(CCl)NCC1CCOCC1 MCULE-5174847032 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.27 O=C(CO)NCC1CCCCC1 MCULE-7174776825 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.43 C=C(CN1CCCCC1)C(=O)O MCULE-4086003668 [0,1,0,0,0,1|1,0,0]=3 1755 B12R1.43 C=C(CN1CCOCC1)C(=O)O MCULE-2720405682 [0,1,0,0,0,1|0,0,0]=2 1756 B12R1.43 CC(=O)C(C)CN1CCCCC1 MCULE-2176063333 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.43 CC(CC1CCCCC1)C(=O)O MCULE-5593770209 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.43 CC(CC1CCNCC1)C(=O)O MCULE-1413560351 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.43 CC(CC1CCNCC1)C(=O)O MCULE-4131542201 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.43 CC(CC1CCOCC1)C(=O)O MCULE-8701973693 [0,1,0,0,0,1|1,0,0]=3 1761 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-1034953096 [0,1,0,0,0,1|1,0,0]=3 1762 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-2445155741 [0,1,0,0,0,1|1,0,0]=3 1763 B12R1.43 CC(CN1CCOCC1)C(=O)O MCULE-5931804753 [0,1,0,0,0,1|0,0,0]=2 1764 B12R1.43 CC(C[NH+]1CCOCC1)C(=O)O MCULE-4377838448 [0,1,0,0,0,1|0,0,1]=3 1765 B12R1.43 CC(NC1CCCCC1)C(=O)O MCULE-2337671318 [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.43 CC(OC1CCCCC1)C(=O)O MCULE-3390289519 [0,1,0,0,0,1|2,0,0]=4 1767 B12R1.43 C[C@H](CC1CCCCC1)C(=O)O MCULE-1498161955 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O MCULE-7949492561 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O MCULE-8747258792 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.43 NC(=O)C(N)CN1CCOCC1 MCULE-3052749386 [0,1,0,0,0,1|1,0,0]=3 1771 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-4231962732 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5441238803 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5559107138 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-9351196605 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.43 NC(CC1CCOCC1)C(=O)O MCULE-3782499699 [0,1,0,0,0,1|1,0,0]=3 1776 B12R1.43 NC(CC1CCOCC1)C(=O)O MCULE-8813787947 [0,1,0,0,0,1|1,0,0]=3 1777 B12R1.43 NC(CN1CCNCC1)C(=O)O MCULE-6112445045 [0,1,0,0,0,1|1,0,0]=3 1778 B12R1.43 NC(CN1CCNCC1)C(=O)O MCULE-9896812285 [0,1,0,0,0,1|1,0,0]=3 1779 B12R1.43 NC(CN1CCOCC1)C(=O)O MCULE-2006139914 [0,1,0,0,0,1|0,0,0]=2 1780 B12R1.43 NC(CN1CCOCC1)C(=O)O MCULE-9043079943 [0,1,0,0,0,1|0,0,0]=2 1781 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1782298917 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1829182577 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-2645618623 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-8551085565 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-1647906724 [0,1,0,0,0,1|1,0,0]=3 1786 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-3558141373 [0,1,0,0,0,1|1,0,0]=3 1787 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-9537249167 [0,1,0,0,0,1|1,0,0]=3 1788 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-9665106160 [0,1,0,0,0,1|1,0,0]=3 1789 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-1402393212 [0,1,0,0,0,1|1,0,0]=3 1790 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-5238707864 [0,1,0,0,0,1|1,0,0]=3 1791 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-7943048524 [0,1,0,0,0,1|1,0,0]=3 1792 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-9411844365 [0,1,0,0,0,1|1,0,0]=3 1793 B12R1.43 N[C@@H](CN1CCOCC1)C(=O)O MCULE-5887663442 [0,1,0,0,0,1|0,0,0]=2 1794 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-3421636940 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-4892184412 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-5098090144 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-8153309063 [0,1,0,0,0,1|2,0,0]=4 1798 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-1997730867 [0,1,0,0,0,1|1,0,0]=3 1799 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-2898762909 [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-4075867386 [0,1,0,0,0,1|1,0,0]=3 1801 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-6776158188 [0,1,0,0,0,1|1,0,0]=3 1802 B12R1.43 N[C@H](CN1CCOCC1)C(=O)O MCULE-4790134437 [0,1,0,0,0,1|0,0,0]=2 1803 B12R1.43 O=C(O)C(=O)CC1CCCCC1 MCULE-2990391321 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.43 O=C(O)C(F)CC1CCCCC1 MCULE-7464253405 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.43 O=C(O)C(O)CC1CCCCC1 MCULE-9641279057 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.43 O=C(O)C(O)CC1CCOCC1 MCULE-6691815074 [0,1,0,0,0,1|1,0,0]=3 1807 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 MCULE-2560030099 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1111579897 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1257034455 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.107 CC(=O)CC(=O)N1CCOCC1 MCULE-9461999975 [0,1,0,0,0,1|1,0,0]=3 1811 B12R1.107 CC(=O)NC(=S)N1CCOCC1 MCULE-7686053647 [0,1,0,0,0,1|1,0,1]=4 1812 B12R1.107 CC(CC(=O)O)C1CCCCC1 MCULE-5146752612 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.107 CC(CC(=O)O)C1CCNCC1 MCULE-4155328285 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-5546995806 [0,1,0,0,0,1|1,0,0]=3 1815 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-8811572713 [0,1,0,0,0,1|1,0,0]=3 1816 B12R1.107 CC(CC(=O)O)N1CCOCC1 MCULE-7868090057 [0,1,0,0,0,1|0,0,0]=2 1817 B12R1.107 CC(CC(=O)O)N1CCOCC1 MCULE-9159267461 [0,1,0,0,0,1|0,0,0]=2 1818 B12R1.107 CN(CC(=O)O)C1CCCCC1 MCULE-8538488249 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.107 CN(CC(=O)O)C1CCCCC1 MCULE-8582183581 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.107 CN(CC(=O)O)C1CCNCC1 MCULE-5744482363 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.107 CN(CC(=O)O)C1CCNCC1 MCULE-5812424158 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.107 NC(=S)CC(=O)N1CCOCC1 MCULE-6975223384 [0,1,0,0,0,1|1,1,0]=4 1823 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-3734527997 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-8095164306 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.107 NC(CC(=O)O)C1CCOCC1 MCULE-3602136384 [0,1,0,0,0,1|1,0,0]=3 1826 B12R1.107 NC(CC(=O)O)C1CCOCC1 MCULE-4838977044 [0,1,0,0,0,1|1,0,0]=3 1827 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-1722747072 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-4345050528 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-6774023632 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-5426257730 [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-6223565506 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-8271946680 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-9947760299 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.107 O=C(O)CC(=O)N1CCNCC1 MCULE-1507666932 [0,1,0,0,0,1|1,0,0]=3 1835 B12R1.107 O=C(O)CC(=O)N1CCNCC1 MCULE-4796976721 [0,1,0,0,0,1|1,0,0]=3 1836 B12R1.107 O=C(O)CC(=O)N1CCOCC1 MCULE-5354791137 [0,1,0,0,0,1|0,0,0]=2 1837 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [0,1,0,0,0,1|1,0,0]=3 1839 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [0,1,0,0,0,1|1,0,0]=3 1840 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.125 O=C(O)CCN1CCCCC1=O MCULE-6569100258 [0,1,0,0,0,1|1,0,1]=4 1844 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.226 CC1CCCC(C1)OCC(=O)O MCULE-3536391684 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [0,1,0,0,0,1|1,0,0]=3 1847 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [0,1,0,0,0,1|1,0,0]=3 1848 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.226 O=C(O)CCN1CCNC(=O)C1 MCULE-1196913749 [0,1,0,0,0,1|1,0,1]=4 1850 B12R1.891 NS(=O)(=O)CCN1CCOCC1 MCULE-1311867920 [0,1,0,0,0,1|1,0,1]=4 1851 B12R1.891 O=S(=O)(Cl)CCN1CCOCC1 MCULE-3988097068 [0,1,0,0,0,1|1,0,1]=4 1852 B12R1.891 O=S(=O)(Cl)CCN1CCOCC1 MCULE-4382196408 [0,1,0,0,0,1|1,0,1]=4 1853 B12R1.891 O=S(=O)(O)CCN1CCNCC1 MCULE-5356364387 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.891 O=S(=O)(O)CCN1CCOCC1 MCULE-2780053976 [0,1,0,0,0,1|1,0,0]=3 1855 B12R1.891 O=S(=O)([O-])CCN1CCOCC1 MCULE-5031211497 [0,1,0,0,0,1|1,0,1]=4 1856 B12R1.891 O=S(=O)([O-])CCN1CCOCC1 MCULE-9621463224 [0,1,0,0,0,1|1,0,1]=4 1857 B12R1.3110 CC1(CCCCC1)CCC(=O)O MCULE-4030655928 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.3110 CC1(CCOCC1)OCC(=O)O MCULE-9546718249 [0,1,0,0,0,1|1,0,0]=3 1859 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-7944829065 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-8909515747 [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.3110 O=C(O)C#CC1(CCOCC1)O MCULE-6933549125 [0,1,0,0,0,1|1,0,1]=4 1862 B12R1.210 NC(=O)CN1CCCCCC1=O MCULE-9568515179 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.210 O=C(O)CN1CCCCCC1=O MCULE-8200254471 [0,1,0,0,0,1|1,0,0]=3 1864 B12R1.1748 CNC(=O)CN1CCCNCC1 MCULE-1699654021 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.1748 CNC(=O)CN1CCCNCC1 MCULE-6681117978 [0,1,0,0,0,1|2,0,0]=4 1866 B12R1.1748 COC(=O)CC1CCCCCC1 MCULE-5471448909 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.1748 COC(=O)CC1CCCNCC1 MCULE-8246652599 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.1748 COC(=O)CC1CCCNCC1 MCULE-8769597228 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2302704687 [0,1,0,0,0,1|1,0,0]=3 1870 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2502781833 [0,1,0,0,0,1|1,0,0]=3 1871 B12R1.1748 N/C(=N\O)/CN1CCCCCC1 MCULE-9532779232 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.1748 NNC(=O)CN1CCCCCC1 MCULE-4753957009 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.1829 NC1(CCCCCC1)CC(=O)O MCULE-6494985992 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.1829 NC1(CCCCCC1)CC(=O)O MCULE-6930845885 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.1829 O=C(O)CC1(CCCCCC1)O MCULE-4067052677 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.2197 C(N)(C(=O)O)C1CCCCCC1 MCULE-6964253676 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.2197 CC(C(=O)O)N1CCCCCC1 MCULE-2902696136 [0,1,0,0,0,1|1,0,0]=3 1878 B12R1.2197 CC(C(=O)O)N1CCCCCC1 MCULE-9930977486 [0,1,0,0,0,1|1,0,0]=3 1879 B12R1.2197 CC(C(=O)O)N1CSCCSC1 MCULE-8214989159 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-6624049364 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-8004618459 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-1678135453 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-4899000866 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-4407848265 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-5410436039 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.2197 O=C(O)C(=O)N1CCCCCC1 MCULE-4049951771 [0,1,0,0,0,1|1,0,1]=4 1887 B12R1.2197 O=C(O)C(O)C1CCCCCC1 MCULE-8206008473 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.2240 O=P(O)(O)CN1CCCCCC1 MCULE-8678712147 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.4 CCC1CCC(CC1)CC(=O)O MCULE-4463752075 [0,2,0,0,0,0|2,0,0]=4 1890 B12R1.4 CCN1CCC(CC1)CC(=O)O MCULE-2877973796 [0,2,0,0,0,0|2,0,0]=4 1891 B12R1.4 CCN1CCC(CC1)CC(=O)O MCULE-9225750727 [0,2,0,0,0,0|2,0,0]=4 1892 B12R1.4 CCN1CCN(CC1)CC(=O)O MCULE-1307701769 [0,2,0,0,0,0|1,0,0]=3 1893 B12R1.4 CCN1CCN(CC1)CC(=O)O MCULE-2354314876 [0,2,0,0,0,0|1,0,0]=3 1894 B12R1.4 CCN1CCN(CC1)CC(=O)O MCULE-3467589404 [0,2,0,0,0,0|1,0,0]=3 1895 B12R1.4 CCN1CCN(CC1)CC(=O)O MCULE-8700766790 [0,2,0,0,0,0|1,0,0]=3 1896 B12R1.4 CC[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-5208836343 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.4 CNC1CCN(CC1)CC(=O)O MCULE-1452712609 [0,2,0,0,0,0|1,0,0]=3 1898 B12R1.4 CNC1CCN(CC1)CC(=O)O MCULE-2627826928 [0,2,0,0,0,0|1,0,0]=3 1899 B12R1.4 COC1CCC(CC1)CC(=O)O MCULE-4216700038 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.4 COC1CCN(CC1)CC(=O)N MCULE-4346539371 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.4 COC1CCN(CC1)CC(=O)O MCULE-3669380375 [0,2,0,0,0,0|1,0,0]=3 1902 B12R1.4 COC1CCN(CC1)CC(=O)O MCULE-4358152268 [0,2,0,0,0,0|1,0,0]=3 1903 B12R1.4 CON1CCC(CC1)CC(=O)O MCULE-1549229898 [0,2,0,0,0,0|2,0,0]=4 1904 B12R1.4 CON1CCC(CC1)CC(=O)O MCULE-3439562962 [0,2,0,0,0,0|2,0,0]=4 1905 B12R1.4 NC(=O)CN1CCC(CC1)CO MCULE-4910274080 [0,2,0,0,0,0|2,0,0]=4 1906 B12R1.4 NCC1CCC(CC1)CC(=O)O MCULE-3567224346 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.4 NCC1CCC(CC1)CC(=O)O MCULE-3923908477 [0,2,0,0,0,0|2,0,0]=4 1908 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-1360542380 [0,2,0,0,0,0|2,0,0]=4 1909 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-2819508397 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.4 O=C(O)CN1CCC(CC1)CBr MCULE-8844062899 [0,2,0,0,0,0|1,0,0]=3 1911 B12R1.4 O=C(O)CN1CCC(CC1)CCl MCULE-6850927630 [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.4 O=C(O)CN1CCC(CC1)CI MCULE-8948160583 [0,2,0,0,0,0|1,0,0]=3 1913 B12R1.4 O=C(O)CN1CCC(CC1)CO MCULE-6180047955 [0,2,0,0,0,0|1,0,0]=3 1914 B12R1.4 O=C([O-])CN1CCC(CC1)CO MCULE-2622048729 [0,2,0,0,0,0|1,0,1]=4 1915 B12R1.4 O=CN1CCN(CC1)CC(=O)O MCULE-3057617902 [0,2,0,0,0,0|1,0,0]=3 1916 B12R1.19 CC1CCC(CC1C)CC(=O)O MCULE-7238132549 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.19 CC1CN(CCN1C)CC(=O)O MCULE-7580424830 [0,2,0,0,0,0|1,0,0]=3 1918 B12R1.19 CN1CCN(CC1=O)CC(=O)O MCULE-2434204554 [0,2,0,0,0,0|1,0,1]=4 1919 B12R1.19 CN1CCN(CC1=O)CC(=O)O MCULE-8840592035 [0,2,0,0,0,0|1,0,1]=4 1920 B12R1.20 CC(C(=O)O)N1CCC(CC1)N MCULE-2459466800 [0,2,0,0,0,0|1,0,0]=3 1921 B12R1.20 CC(C(=O)O)N1CCC(CC1)N MCULE-4983424395 [0,2,0,0,0,0|1,0,0]=3 1922 B12R1.20 CC(C(=O)O)N1CCC(CC1)O MCULE-7722554647 [0,2,0,0,0,0|1,0,0]=3 1923 B12R1.20 CC(C(=O)O)N1CCC(CC1)O MCULE-8844133532 [0,2,0,0,0,0|1,0,0]=3 1924 B12R1.20 CC(C(=O)O)N1CCN(CC1)C MCULE-8175404565 [0,2,0,0,0,0|1,0,0]=3 1925 B12R1.20 CC(C(=O)O)N1CCN(CC1)C MCULE-8616049738 [0,2,0,0,0,0|1,0,0]=3 1926 B12R1.20 CC(C(=O)O)N1CCN(CC1)C MCULE-8734004676 [0,2,0,0,0,0|1,0,0]=3 1927 B12R1.20 CC1CCC(CC1)C(N)C(=O)O MCULE-9697057297 [0,2,0,0,0,0|2,0,0]=4 1928 B12R1.20 CC1CCN(CC1)C(=O)C(=O)O MCULE-8979627308 [0,2,0,0,0,0|1,0,1]=4 1929 B12R1.20 CC1CCN(CC1)C(C)C(=O)O MCULE-3895544482 [0,2,0,0,0,0|1,0,0]=3 1930 B12R1.20 CC1CCN(CC1)C(C)C(=O)O MCULE-8130125685 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.20 CN1CCN(CC1)C(=O)C(=O)O MCULE-6010911385 [0,2,0,0,0,0|1,0,1]=4 1932 B12R1.20 C[C@@H](C(=O)O)N1CCN(CC1)C MCULE-8550342916 [0,2,0,0,0,0|1,0,0]=3 1933 B12R1.20 C[C@@H](C(=O)O)N1CCN(CC1)C MCULE-8985362428 [0,2,0,0,0,0|1,0,0]=3 1934 B12R1.20 C[C@H](C(=O)O)N1CCN(CC1)C MCULE-2913240767 [0,2,0,0,0,0|1,0,0]=3 1935 B12R1.20 C[C@H](C(=O)O)N1CCN(CC1)C MCULE-4674177688 [0,2,0,0,0,0|1,0,0]=3 1936 B12R1.20 C[C@H](C(=O)O)N1CCN(CC1)C MCULE-5023544324 [0,2,0,0,0,0|1,0,0]=3 1937 B12R1.20 C[C@H](C(=O)O)N1CCN(CC1)C MCULE-6049816940 [0,2,0,0,0,0|1,0,0]=3 1938 B12R1.20 NC(C(=O)O)C1CCC(CC1)O MCULE-3555748677 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.49 CN1CCN(CC1)C/C(=N/O)/N MCULE-4771281418 [0,2,0,0,0,0|2,0,0]=4 1940 B12R1.49 CN1CCN(CC1)CC(=O)NN MCULE-8678921136 [0,2,0,0,0,0|2,0,0]=4 1941 B12R1.49 CNC(=O)CN1CCC(CC1)C MCULE-5892003495 [0,2,0,0,0,0|2,0,0]=4 1942 B12R1.49 CNC(=O)CN1CCC(CC1)N MCULE-2960825974 [0,2,0,0,0,0|2,0,0]=4 1943 B12R1.49 CNC(=O)CN1CCC(CC1)N MCULE-9891487197 [0,2,0,0,0,0|2,0,0]=4 1944 B12R1.49 CNC(=O)CN1CCC(CC1)O MCULE-9090038985 [0,2,0,0,0,0|2,0,0]=4 1945 B12R1.49 COC(=O)CC1CCC(=O)CC1 MCULE-5737141883 [0,2,0,0,0,0|2,0,0]=4 1946 B12R1.49 COC(=O)CC1CCC(CC1)Br MCULE-6083412814 [0,2,0,0,0,0|2,0,0]=4 1947 B12R1.49 COC(=O)CC1CCC(CC1)C MCULE-9187132605 [0,2,0,0,0,0|2,0,0]=4 1948 B12R1.49 COC(=O)CC1CCC(CC1)N MCULE-8428020310 [0,2,0,0,0,0|2,0,0]=4 1949 B12R1.49 COC(=O)CC1CCC(CC1)O MCULE-1746530923 [0,2,0,0,0,0|2,0,0]=4 1950 B12R1.49 COC(=O)CC1CCC(CC1)[NH3+] MCULE-7729535272 [0,2,0,0,0,0|2,0,0]=4 1951 B12R1.49 COC(=O)CC1CCN(CC1)C MCULE-5244127080 [0,2,0,0,0,0|2,0,0]=4 1952 B12R1.49 COC(=O)CN1CCC(=O)CC1 MCULE-9571921689 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.49 COC(=O)CN1CCC(CC1)N MCULE-4664951817 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.49 COC(=O)CN1CCC(CC1)N MCULE-5301559491 [0,2,0,0,0,0|1,0,0]=3 1955 B12R1.49 COC(=O)CN1CCC(CC1)O MCULE-9885936783 [0,2,0,0,0,0|1,0,0]=3 1956 B12R1.49 COC(=O)CN1CCN(CC1)C MCULE-2678713672 [0,2,0,0,0,0|1,0,0]=3 1957 B12R1.49 COC(=O)C[C@H]1CC[C@H](CC1)O MCULE-1573259386 [0,2,0,0,0,0|2,0,0]=4 1958 B12R1.49 COC(=O)NN1CCN(CC1)C MCULE-9777081291 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.49 NNC(=O)CN1CCC(CC1)O MCULE-5163989330 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.233 CC1CN(CCN1CC(=O)O)C MCULE-6193081491 [0,2,0,0,0,0|1,0,0]=3 1961 B12R1.349 CC1CCC(CC1)(N)CC(=O)O MCULE-5659163308 [0,2,0,0,0,0|2,0,0]=4 1962 B12R1.349 CC1CCC(CC1)(N)CC(=O)O MCULE-6857277178 [0,2,0,0,0,0|2,0,0]=4 1963 B12R1.349 O=C(O)C[C@@]1(CC[C@@H](CC1)O)O MCULE-5180027017 [0,2,0,0,0,0|2,0,0]=4 1964 B12R1.349 O=C(O)C[C@@]1(CC[C@H](CC1)O)O MCULE-2389227142 [0,2,0,0,0,0|2,0,0]=4 1965 B12R1.1819 CC1(CCC(CC1)CC(=O)O)C MCULE-5045016279 [0,2,0,0,0,0|2,0,0]=4 1966 B12R1.1819 CC1(CCC(CC1)CC(=O)O)O MCULE-8227058559 [0,2,0,0,0,0|2,0,0]=4 1967 B12R1.1819 NC(=O)CN1CCC(CC1)(F)F MCULE-7925823297 [0,2,0,0,0,0|2,0,0]=4 1968 B12R1.1819 O=C(O)CC1CCC(CC1)(F)F MCULE-1033171255 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 MCULE-4414295153 [0,2,0,0,0,0|1,1,0]=4 1970 B12R1.1819 O=C(O)CN1CCC(CC1)(F)F MCULE-1443746945 [0,2,0,0,0,0|1,0,0]=3 1971 B12R1.1819 O=C(O)CN1CCS(=O)(=O)CC1 MCULE-4949644747 [0,2,0,0,0,0|0,1,0]=3 1972 B12R1.34 CC(/C(=N/O)/N)N1CCOCC1 MCULE-2185442002 [0,2,0,0,0,0|1,0,0]=3 1973 B12R1.34 CC(C(=O)NN)N1CCOCC1 MCULE-2546486631 [0,2,0,0,0,0|1,0,0]=3 1974 B12R1.34 CC(C(=O)NN)N1CCOCC1 MCULE-8589873073 [0,2,0,0,0,0|1,0,0]=3 1975 B12R1.34 COC(=O)C(Br)C1CCCCC1 MCULE-8794632800 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.34 COC(=O)C(C)C1CCCCC1 MCULE-4356051746 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.34 COC(=O)C(C)C1CCNCC1 MCULE-1411581378 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.34 COC(=O)C(C)C1CCNCC1 MCULE-5772836001 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.34 COC(=O)C(C)N1CCSCC1 MCULE-1149983088 [0,2,0,0,0,0|0,1,0]=3 1980 B12R1.34 COC(=O)C(N)C1=CCOCC1 MCULE-2786151571 [0,2,0,0,0,0|1,0,1]=4 1981 B12R1.34 COC(=O)C(N)C1CCCCC1 MCULE-2810535327 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.34 COC(=O)C(N)C1CCCCC1 MCULE-6812914231 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.34 COC(=O)C(N)C1CCCCC1 MCULE-8469855937 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.34 COC(=O)C(N)C1CCCCC1 MCULE-9676736559 [0,2,0,0,0,0|2,0,0]=4 1985 B12R1.34 COC(=O)C(N)C1CCOCC1 MCULE-4197118656 [0,2,0,0,0,0|1,0,0]=3 1986 B12R1.34 COC(=O)C(N)C1CCOCC1 MCULE-5879241005 [0,2,0,0,0,0|1,0,0]=3 1987 B12R1.34 COC(=O)C(N)C1CCSCC1 MCULE-5041023861 [0,2,0,0,0,0|1,1,0]=4 1988 B12R1.34 COC(=O)C(O)C1CCNCC1 MCULE-3910886084 [0,2,0,0,0,0|2,0,0]=4 1989 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 MCULE-2299100950 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 MCULE-5316529197 [0,2,0,0,0,0|2,0,0]=4 1991 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 MCULE-5483569351 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 MCULE-6799341213 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 MCULE-1569597511 [0,2,0,0,0,0|1,0,0]=3 1994 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 MCULE-2309484726 [0,2,0,0,0,0|1,0,0]=3 1995 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 MCULE-4066199660 [0,2,0,0,0,0|1,0,0]=3 1996 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 MCULE-7978583917 [0,2,0,0,0,0|1,0,0]=3 1997 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 MCULE-4665460517 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 MCULE-4978326778 [0,2,0,0,0,0|2,0,0]=4 1999 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 MCULE-5161076215 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 MCULE-8293184442 [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.34 COC(=O)[C@H](N)C1CCOCC1 MCULE-1134090934 [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.34 COC(=O)[C@H](N)C1CCOCC1 MCULE-2604323570 [0,2,0,0,0,0|1,0,0]=3 2003 B12R1.34 COC(=O)[C@H](N)C1CCOCC1 MCULE-3360213221 [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.34 COC(=O)[C@H](N)C1CCOCC1 MCULE-9797453820 [0,2,0,0,0,0|1,0,0]=3 2005 B12R1.34 NNC(=O)C(=O)N1CCOCC1 MCULE-4768942100 [0,2,0,0,0,0|1,0,1]=4 2006 B12R1.124 CC(C(=O)O)N1CCCCC1=O MCULE-6557990650 [0,2,0,0,0,0|1,0,1]=4 2007 B12R1.124 CC1CCCCN1C(=O)C(=O)O MCULE-5991116368 [0,2,0,0,0,0|1,0,1]=4 2008 B12R1.124 CC1CCCCN1C(C)C(=O)O MCULE-2732233941 [0,2,0,0,0,0|1,0,0]=3 2009 B12R1.225 CC1CCCC(C1)C(N)C(=O)O MCULE-7804039697 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.225 CC1CCCN(C1)C(=O)C(=O)O MCULE-9841975369 [0,2,0,0,0,0|1,0,1]=4 2011 B12R1.225 CC1CCCN(C1)C(C)C(=O)O MCULE-4406041140 [0,2,0,0,0,0|1,0,0]=3 2012 B12R1.253 CC(C)(C(=O)N)N1CCNCC1 MCULE-5037391083 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.253 CC(C)(C(=O)N)N1CCNCC1 MCULE-5377047169 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.253 CC(C)(C(=O)N)N1CCNCC1 MCULE-6345874888 [0,2,0,0,0,0|2,0,0]=4 2015 B12R1.253 CC(C)(C(=O)N)N1CCOCC1 MCULE-4637819309 [0,2,0,0,0,0|1,0,0]=3 2016 B12R1.253 CC(C)(C(=O)O)C1CCCCC1 MCULE-8377291972 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.253 CC(C)(C(=O)O)C1CCNCC1 MCULE-1348706895 [0,2,0,0,0,0|2,0,0]=4 2018 B12R1.253 CC(C)(C(=O)O)C1CCNCC1 MCULE-7849376375 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.253 CC(C)(C(=O)O)C1CCOCC1 MCULE-1006776755 [0,2,0,0,0,0|1,0,0]=3 2020 B12R1.253 CC(C)(C(=O)O)N1CCCCC1 MCULE-6124403879 [0,2,0,0,0,0|1,0,0]=3 2021 B12R1.253 CC(C)(C(=O)O)N1CCCCC1 MCULE-9509688671 [0,2,0,0,0,0|1,0,0]=3 2022 B12R1.253 CC(C)(C(=O)O)N1CCNCC1 MCULE-5228293217 [0,2,0,0,0,0|1,0,0]=3 2023 B12R1.253 CC(C)(C(=O)O)N1CCNCC1 MCULE-6043542306 [0,2,0,0,0,0|1,0,0]=3 2024 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 MCULE-6050291094 [0,2,0,0,0,0|0,0,0]=2 2025 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 MCULE-7416001741 [0,2,0,0,0,0|0,0,0]=2 2026 B12R1.253 CC(C)(C(=O)[O-])N1CCOCC1 MCULE-1839222061 [0,2,0,0,0,0|0,0,1]=3 2027 B12R1.253 CC(N)(C(=O)O)C1CCCCC1 MCULE-5578021534 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.253 CC(O)(C(=O)O)C1CCOCC1 MCULE-4652597921 [0,2,0,0,0,0|1,0,0]=3 2029 B12R1.253 O=C(O)C(F)(F)C1CCCCC1 MCULE-5884864447 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.253 O=C(O)C(F)(F)C1CCOCC1 MCULE-6525109642 [0,2,0,0,0,0|1,0,0]=3 2031 B12R1.478 CCC(C(=O)O)C1CCCCC1 MCULE-4623551759 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.478 CCC(C(=O)O)C1CCNCC1 MCULE-2702141761 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.478 CCC(C(=O)O)C1CCNCC1 MCULE-4938530329 [0,2,0,0,0,0|2,0,0]=4 2034 B12R1.478 CCC(C(=O)O)C1CCOCC1 MCULE-7358542123 [0,2,0,0,0,0|1,0,0]=3 2035 B12R1.478 CCC(C(=O)O)N1CCCCC1 MCULE-7163390837 [0,2,0,0,0,0|1,0,0]=3 2036 B12R1.478 CCC(C(=O)O)N1CCCCC1 MCULE-7454277150 [0,2,0,0,0,0|1,0,0]=3 2037 B12R1.478 CCC(C(=O)O)N1CCNCC1 MCULE-2497849402 [0,2,0,0,0,0|1,0,0]=3 2038 B12R1.478 CCC(C(=O)O)N1CCNCC1 MCULE-3977474559 [0,2,0,0,0,0|1,0,0]=3 2039 B12R1.478 CCC(C(=O)O)N1CCOCC1 MCULE-6481707136 [0,2,0,0,0,0|0,0,0]=2 2040 B12R1.478 CCC(C(=O)O)N1CCOCC1 MCULE-7654814173 [0,2,0,0,0,0|0,0,0]=2 2041 B12R1.478 CNC(C(=O)O)C1CCCCC1 MCULE-2663893110 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.478 COC(C(=O)O)C1CCCCC1 MCULE-1716352317 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.478 COC(C(=O)O)C1CCOCC1 MCULE-1807450595 [0,2,0,0,0,0|1,0,0]=3 2044 B12R1.478 CO[C@H](C(=O)O)C1CCOCC1 MCULE-5641444592 [0,2,0,0,0,0|1,0,0]=3 2045 B12R1.478 NC(=O)C(=NO)N1CCOCC1 MCULE-1835742637 [0,2,0,0,0,0|1,0,1]=4 2046 B12R1.478 NCC(C(=O)N)N1CCCCC1 MCULE-1633098590 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.478 NCC(C(=O)N)N1CCOCC1 MCULE-6908966774 [0,2,0,0,0,0|1,0,0]=3 2048 B12R1.478 NCC(C(=O)O)C1CCCCC1 MCULE-1663437445 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.478 NCC(C(=O)O)C1CCOCC1 MCULE-6928043811 [0,2,0,0,0,0|1,0,0]=3 2050 B12R1.478 NCC(C(=O)O)C1CCOCC1 MCULE-9362433747 [0,2,0,0,0,0|1,0,0]=3 2051 B12R1.478 NCC(C(=O)O)N1CCCCC1 MCULE-5988731024 [0,2,0,0,0,0|1,0,0]=3 2052 B12R1.478 NCC(C(=O)O)N1CCOCC1 MCULE-2133844881 [0,2,0,0,0,0|0,0,0]=2 2053 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-2644000632 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-4411912767 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.32 CCNC(=O)CN1CCNCC1 MCULE-1834752944 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.32 CCNC(=O)CN1CCOCC1 MCULE-6095584581 [0,2,0,0,0,0|1,0,0]=3 2057 B12R1.32 CCOC(=O)C=C1CCOCC1 MCULE-6097486664 [0,2,0,0,0,0|1,0,1]=4 2058 B12R1.32 CCOC(=O)CC1CCCCC1 MCULE-1152805009 [0,2,0,0,0,0|2,0,0]=4 2059 B12R1.32 CCOC(=O)CC1CCNCC1 MCULE-3199758876 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.32 CCOC(=O)CC1CCNCC1 MCULE-9384776786 [0,2,0,0,0,0|2,0,0]=4 2061 B12R1.32 CCOC(=O)CC1CCOCC1 MCULE-4235227337 [0,2,0,0,0,0|1,0,0]=3 2062 B12R1.32 CCOC(=O)CC1CCSCC1 MCULE-6026333577 [0,2,0,0,0,0|1,1,0]=4 2063 B12R1.32 CCOC(=O)CN1CCCCC1 MCULE-7400575339 [0,2,0,0,0,0|1,0,0]=3 2064 B12R1.32 CCOC(=O)CN1CCNCC1 MCULE-6474808307 [0,2,0,0,0,0|1,0,0]=3 2065 B12R1.32 CCOC(=O)CN1CCNCC1 MCULE-9540871772 [0,2,0,0,0,0|1,0,0]=3 2066 B12R1.32 CCOC(=O)CN1CCOCC1 MCULE-7817726015 [0,2,0,0,0,0|0,0,0]=2 2067 B12R1.32 CCOC(=O)CN1CCSCC1 MCULE-9105245970 [0,2,0,0,0,0|0,1,0]=3 2068 B12R1.32 CCOC(=O)NN1CCCCC1 MCULE-9620315682 [0,2,0,0,0,0|2,0,0]=4 2069 B12R1.32 CNCC(O)CN1CCOCC1 MCULE-3370899520 [0,2,0,0,0,0|1,0,1]=4 2070 B12R1.32 COCC(=O)CC1CCOCC1 MCULE-8938518166 [0,2,0,0,0,0|1,0,0]=3 2071 B12R1.32 COCC(=O)NC1CCOCC1 MCULE-6129451214 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.32 COCC(N)CN1CCOCC1 MCULE-2226993479 [0,2,0,0,0,0|1,0,1]=4 2073 B12R1.32 COCC(O)CN1CCOCC1 MCULE-6108124398 [0,2,0,0,0,0|0,0,2]=4 2074 B12R1.32 O=C(CC1CCCCC1)OCCl MCULE-6172375896 [0,2,0,0,0,0|2,0,0]=4 2075 B12R1.50 CC1CCCN(C1)C/C(=N/O)/N MCULE-6982434426 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.50 CC1CN(CCO1)CC(O)CN MCULE-4166092117 [0,2,0,0,0,0|1,0,1]=4 2077 B12R1.50 COC(=O)CC1CCCC(C1)O MCULE-4558889415 [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.50 COC(=O)CN1CCCC(C1)N MCULE-8134233660 [0,2,0,0,0,0|1,0,0]=3 2079 B12R1.50 COC(=O)CN1CCCC(C1)N MCULE-9646405498 [0,2,0,0,0,0|1,0,0]=3 2080 B12R1.50 COC(=O)CN1CCCC(C1)O MCULE-8015730537 [0,2,0,0,0,0|1,0,0]=3 2081 B12R1.50 COC(=O)CN1CCNC(=O)C1 MCULE-9939542868 [0,2,0,0,0,0|1,0,1]=4 2082 B12R1.118 COC(CN1CCOCC1)OC MCULE-8211975966 [0,2,0,0,0,0|0,0,2]=4 2083 B12R1.194 CC(C)(C=O)CN1CCOCC1 MCULE-8243672428 [0,2,0,0,0,0|1,0,1]=4 2084 B12R1.194 CC(C)(CO)CN1CCOCC1 MCULE-3746898173 [0,2,0,0,0,0|1,0,1]=4 2085 B12R1.194 CC(C)(CO)CN1CCOCC1 MCULE-4935616955 [0,2,0,0,0,0|1,0,1]=4 2086 B12R1.194 CC(O)(CN)CN1CCOCC1 MCULE-1095039484 [0,2,0,0,0,0|1,0,1]=4 2087 B12R1.371 CC1CCCCN1CC(=O)NN MCULE-5982584996 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.371 COC(=O)CN1CCCCC1=O MCULE-2869509767 [0,2,0,0,0,0|1,0,1]=4 2089 B12R1.371 COC(=O)CN1CCNCC1=O MCULE-1356174892 [0,2,0,0,0,0|1,0,1]=4 2090 B12R1.371 COC(=O)CN1CCNCC1=O MCULE-6390926208 [0,2,0,0,0,0|1,0,1]=4 2091 B12R1.3524 COC(=O)CC1(CCCCC1)N MCULE-2276068883 [0,2,0,0,0,0|2,0,0]=4 2092 B12R1.3524 COC(=O)CC1(CCCCC1)N MCULE-3738848172 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.3524 COC(=O)CC1(CCCCC1)O MCULE-5680015940 [0,2,0,0,0,0|2,0,0]=4 2094 B12R1.3524 COC(=O)CC1(CCOCC1)N MCULE-2107518042 [0,2,0,0,0,0|1,0,0]=3 2095 B12R1.3524 COC(=O)CC1(CCOCC1)N MCULE-6020156962 [0,2,0,0,0,0|1,0,0]=3 2096 B12R1.3524 COC(=O)CC1(CCSCC1)N MCULE-6933576029 [0,2,0,0,0,0|1,1,0]=4 2097 B12R1.3524 COC(=O)CC1(CCSCC1)N MCULE-8012883704 [0,2,0,0,0,0|1,1,0]=4 2098 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [0,2,0,0,0,0|1,0,0]=3 2099 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [0,2,0,0,0,0|1,0,0]=3 2100 B12R1.75 COC1COCCC1CC(=O)O MCULE-1148352268 [0,2,0,0,0,0|1,0,0]=3 2101 B12R1.75 O=C(O)CN1CCCCC1CBr MCULE-4745302069 [0,2,0,0,0,0|1,0,0]=3 2102 B12R1.75 O=C(O)CN1CCCCC1CCl MCULE-1771575283 [0,2,0,0,0,0|1,0,0]=3 2103 B12R1.75 O=C(O)CN1CCCCC1CI MCULE-1312726912 [0,2,0,0,0,0|1,0,0]=3 2104 B12R1.75 O=C(O)CN1CCCCC1CO MCULE-9904924658 [0,2,0,0,0,0|1,0,0]=3 2105 B12R1.391 CC1(CCCCC1CC(=O)O)C MCULE-6771932074 [0,2,0,0,0,0|2,0,0]=4 2106 B12R1.391 CC1(CNCCC1CC(=O)O)C MCULE-6484507552 [0,2,0,0,0,0|2,0,0]=4 2107 B12R1.391 CC1(CNCCC1CC(=O)O)C MCULE-8006312451 [0,2,0,0,0,0|2,0,0]=4 2108 B12R1.391 CC1(CNCCN1CC(=O)N)C MCULE-5937531434 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.391 CC1(CNCCN1CC(=O)N)C MCULE-6686766074 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.391 O=C(O)CC1CCNCC1(F)F MCULE-2904991236 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.391 O=C(O)CC1CCNCC1(F)F MCULE-7469979335 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.391 O=C(O)CN1CCCCS1(=O)=O MCULE-7485206053 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.1009 CC1CCCC(N1CC(=O)O)C MCULE-5134002534 [0,2,0,0,0,0|1,0,0]=3 2114 B12R1.1009 CC1CCCC(N1CC(=O)O)C MCULE-6785666353 [0,2,0,0,0,0|1,0,0]=3 2115 B12R1.1009 C[C@H]1CCC[C@H](N1CC(=O)O)C MCULE-4897379084 [0,2,0,0,0,0|1,0,0]=3 2116 B12R1.1009 C[C@H]1CNC[C@H](N1CC(=O)N)C MCULE-1271748234 [0,2,0,0,0,0|2,0,0]=4 2117 B12R1.1009 C[C@H]1CNC[C@H](N1CC(=O)N)C MCULE-7847428388 [0,2,0,0,0,0|2,0,0]=4 2118 B12R1.1009 O=C(O)CN1C(=O)COCC1=O MCULE-5406528839 [0,2,0,0,0,0|0,0,2]=4 2119 B12R1.101 CC1CC(CC(O1)C)CC(=O)Cl MCULE-8474340422 [0,2,0,0,0,0|2,0,0]=4 2120 B12R1.101 CC1CC(CC(O1)C)CC(=O)O MCULE-8495492526 [0,2,0,0,0,0|1,0,0]=3 2121 B12R1.101 CC1CC(CN(C1)CC(=O)O)C MCULE-2538801181 [0,2,0,0,0,0|1,0,0]=3 2122 B12R1.101 CC1CC(CN(C1)CC(=O)O)C MCULE-5326748867 [0,2,0,0,0,0|1,0,0]=3 2123 B12R1.101 CC1CN(CC(O1)C)CC(=O)N MCULE-9879723410 [0,2,0,0,0,0|1,0,0]=3 2124 B12R1.101 CC1CN(CC(O1)C)CC(=O)O MCULE-4920455027 [0,2,0,0,0,0|0,0,0]=2 2125 B12R1.101 CC1CN(CC(O1)C)CC(=O)O MCULE-8382703968 [0,2,0,0,0,0|0,0,0]=2 2126 B12R1.101 C[C@H]1CN(C[C@H](O1)C)CC(=O)O MCULE-8623250757 [0,2,0,0,0,0|0,0,0]=2 2127 B12R1.101 O=C(O)CN1CC(=O)OC(=O)C1 MCULE-6278404161 [0,2,0,0,0,0|0,0,2]=4 2128 B12R1.438 CCC1CC(CCO1)CC(=O)O MCULE-1533632681 [0,2,0,0,0,0|1,0,0]=3 2129 B12R1.438 COC1CCCC(C1)CC(=O)O MCULE-9301642131 [0,2,0,0,0,0|2,0,0]=4 2130 B12R1.438 COC1CCCN(C1)CC(=O)O MCULE-8425591467 [0,2,0,0,0,0|1,0,0]=3 2131 B12R1.438 N#CC1CCCC(C1)CC(=O)O MCULE-8692118131 [0,2,0,0,0,0|2,0,0]=4 2132 B12R1.438 O=C(O)CN1CCCC(C1)CBr MCULE-6873714063 [0,2,0,0,0,0|1,0,0]=3 2133 B12R1.438 O=C(O)CN1CCCC(C1)CCl MCULE-7630589107 [0,2,0,0,0,0|1,0,0]=3 2134 B12R1.438 O=C(O)CN1CCCC(C1)CI MCULE-5847096454 [0,2,0,0,0,0|1,0,0]=3 2135 B12R1.438 O=C(O)CN1CCCC(C1)CO MCULE-9181009444 [0,2,0,0,0,0|1,0,0]=3 2136 B12R1.1821 CC1(CC(CCO1)CC(=O)O)C MCULE-3148966239 [0,2,0,0,0,0|1,0,0]=3 2137 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C MCULE-4167404807 [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.1821 O=C(O)CC1CCCC(C1)(F)F MCULE-3398256735 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.1821 O=C(O)CN1CCCC(C1)(F)F MCULE-6708528253 [0,2,0,0,0,0|1,0,0]=3 2140 B12R1.3862 C=CC1(CCCCC1)CC(=O)O MCULE-4180815907 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.3862 C=CC1(CCOCC1)CC(=O)O MCULE-6161182720 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.3862 CC(=O)CC1(CCOCC1)C#N MCULE-8934219143 [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.3862 CCC1(CCOCC1)CC(=O)O MCULE-1274569934 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.3862 CNC1(CCCCC1)CC(=O)O MCULE-1231263579 [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.3862 CNC1(CCCCC1)CC(=O)O MCULE-9425170049 [0,2,0,0,0,0|2,0,0]=4 2146 B12R1.3862 N#CC1(CCCCC1)CC(=O)O MCULE-7945776155 [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.3862 N#CC1(CCOCC1)CC(=O)O MCULE-6362533888 [0,2,0,0,0,0|1,0,0]=3 2148 B12R1.3862 NCC1(CCCCC1)CC(=O)O MCULE-4071359359 [0,2,0,0,0,0|2,0,0]=4 2149 B12R1.3862 NCC1(CCCCC1)CC(=O)O MCULE-5392848565 [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.3862 NCC1(CCOCC1)CC(=O)O MCULE-6787867866 [0,2,0,0,0,0|1,0,0]=3 2151 B12R1.3862 NCC1(CCOCC1)CC(=O)O MCULE-6947108641 [0,2,0,0,0,0|1,0,0]=3 2152 B12R1.3862 O=C(O)CC1(CCCCC1)CO MCULE-7582955995 [0,2,0,0,0,0|2,0,0]=4 2153 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [0,0,1,1,0,0|2,0,0]=4 2154 B10R1.24 CCOCCN1CC(C1)O MCULE-1392058374 [0,0,1,1,0,0|1,0,1]=4 2155 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [0,0,1,1,0,0|2,0,0]=4 2156 B10R1.39 CCC1CCNC1C(=O)O MCULE-1392850907 [0,0,1,1,0,0|1,0,0]=3 2157 B10R1.39 CCC1CCNC1C(=O)O MCULE-2618729884 [0,0,1,1,0,0|1,0,0]=3 2158 B10R1.39 CCN1CCCC1C(=O)O MCULE-9170639085 [0,0,1,1,0,0|2,0,0]=4 2159 B10R1.39 CCN1CCC[C@@H]1C(=O)O MCULE-6272401541 [0,0,1,1,0,0|2,0,0]=4 2160 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-4672768595 [0,0,1,1,0,0|2,0,0]=4 2161 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-5066096497 [0,0,1,1,0,0|2,0,0]=4 2162 B10R1.66 NC(=O)CNC1CCCC1 MCULE-5401113380 [0,0,1,1,0,0|2,0,0]=4 2163 B10R1.66 NC(=O)CNC1CCCC1 MCULE-8595660552 [0,0,1,1,0,0|2,0,0]=4 2164 B10R1.66 O=C(O)C#CC1CCOC1 MCULE-8365235824 [0,0,1,1,0,0|1,0,1]=4 2165 B10R1.66 O=C(O)C=CC1CCOC1 MCULE-5170193830 [0,0,1,1,0,0|1,0,1]=4 2166 B10R1.66 O=C(O)CCC1CCCC1 MCULE-4583118303 [0,0,1,1,0,0|2,0,0]=4 2167 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8082069026 [0,0,1,1,0,0|2,0,0]=4 2168 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8359539011 [0,0,1,1,0,0|2,0,0]=4 2169 B10R1.66 O=C(O)CCC1CCOC1 MCULE-9339795680 [0,0,1,1,0,0|1,0,0]=3 2170 B10R1.66 O=C(O)CNC1CCCC1 MCULE-2656159228 [0,0,1,1,0,0|1,0,0]=3 2171 B10R1.66 O=C(O)CNC1CCCC1 MCULE-9561013929 [0,0,1,1,0,0|1,0,0]=3 2172 B10R1.66 O=C(O)COC1CCCC1 MCULE-2079008170 [0,0,1,1,0,0|2,0,0]=4 2173 B10R1.66 O=C(O)COC1CCOC1 MCULE-9235017197 [0,0,1,1,0,0|1,0,0]=3 2174 B10R1.66 O=C(O)CSC1CCCC1 MCULE-7601914378 [0,0,1,1,0,0|2,0,0]=4 2175 B10R1.78 O=C1CCCCCCCO1 MCULE-8839309567 [0,0,1,1,0,0|2,0,0]=4 2176 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [0,0,1,1,0,0|2,0,0]=4 2177 B10R1.127 O=C(O)CCCC1CCC1 MCULE-4719788416 [0,0,1,1,0,0|2,0,0]=4 2178 B10R1.127 O=C(O)COCC1CCC1 MCULE-7673852901 [0,0,1,1,0,0|2,0,0]=4 2179 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [0,0,1,1,0,0|2,0,0]=4 2180 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [0,0,1,1,0,0|1,0,1]=4 2181 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [0,0,1,1,0,0|2,0,0]=4 2182 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [0,0,1,1,0,0|1,0,0]=3 2183 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [0,0,1,1,0,0|1,0,0]=3 2184 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [0,0,1,1,0,0|2,0,0]=4 2185 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [0,0,1,1,0,0|2,0,0]=4 2186 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,0,1,1,0,0|1,0,0]=3 2187 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [0,0,1,1,0,0|2,0,0]=4 2188 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [0,0,1,1,0,0|2,0,0]=4 2189 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [0,0,1,1,0,0|1,0,0]=3 2190 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [0,0,1,1,0,0|1,0,0]=3 2191 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [0,0,1,1,0,0|1,0,0]=3 2192 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [0,0,1,1,0,0|1,0,0]=3 2193 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [0,0,1,1,0,0|1,0,0]=3 2194 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [0,0,1,1,0,0|1,0,0]=3 2195 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [0,0,1,1,0,0|1,0,0]=3 2196 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [0,0,1,1,0,0|1,0,0]=3 2197 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [0,0,1,1,0,0|2,0,0]=4 2198 B10R1.8 COC1CC(=O)CN(C1)C MCULE-5074671986 [0,0,1,1,0,0|1,0,0]=3 2199 B10R1.165 CCC1CN(C1C(=O)O)C MCULE-5939427175 [0,0,1,1,0,0|1,0,0]=3 2200 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3015108374 [0,0,1,1,0,0|1,0,0]=3 2201 B10R1.165 CCC1CN([C@@H]1C(=O)O)C MCULE-3864383046 [0,0,1,1,0,0|1,0,0]=3 2202 B10R1.168 CCC1CN(C1)CC(=O)O MCULE-2392138654 [0,0,1,1,0,0|1,0,0]=3 2203 B10R1.168 CCC1CN(C1)CC(=O)O MCULE-5514382088 [0,0,1,1,0,0|1,0,0]=3 2204 B10R1.180 COCCN(C)CC1CO1 MCULE-2078389577 [0,0,1,1,0,0|1,0,1]=4 2205 B10R1.266 CC(CC(=O)O)C1CCC1 MCULE-6722364184 [0,0,1,1,0,0|2,0,0]=4 2206 B10R1.266 CN(CC(=O)O)C1CCC1 MCULE-1496285495 [0,0,1,1,0,0|1,0,0]=3 2207 B10R1.227 CCC1(CCC1)CC(=O)O MCULE-2720340822 [0,0,1,1,0,0|2,0,0]=4 2208 B10R1.374 CCC(CC(=O)O)C1CC1 MCULE-4126818812 [0,0,1,1,0,0|2,0,0]=4 2209 B10R1.374 CCN(CC(=O)O)C1CC1 MCULE-1241341797 [0,0,1,1,0,0|1,0,0]=3 2210 B10R2.6 C1CC(CCO1)C2CO2 MCULE-5003389168 [1,0,0,1,0,0|1,0,1]=4 2211 B10R2.61 O=C1CC2CCCC1C2 MCULE-9902349455 [1,0,0,1,0,0|2,0,0]=4 2212 B10R2.61 O=C1OC2CCOC1C2 MCULE-4977323499 [1,0,0,1,0,0|2,0,0]=4 2213 B10R2.61 OC1CN2CCCC1C2 MCULE-1746053554 [1,0,0,1,0,0|1,0,1]=4 2214 B10R2.61 OC1CN2CCCC1C2 MCULE-2589375847 [1,0,0,1,0,0|1,0,1]=4 2215 B10R2.62 C12CCC(CC1)C(=O)C2 MCULE-8282529338 [1,0,0,1,0,0|2,0,0]=4 2216 B10R2.62 O=C1CC2CCC1CC2 MCULE-8331389597 [1,0,0,1,0,0|2,0,0]=4 2217 B10R2.62 O=C1CN2CCC1CC2 MCULE-1582448541 [1,0,0,1,0,0|1,0,0]=3 2218 B10R2.62 OC1CN2CCC1CC2 MCULE-1575231746 [1,0,0,1,0,0|1,0,1]=4 2219 B10R2.62 OC1CN2CCC1CC2 MCULE-2056351796 [1,0,0,1,0,0|1,0,1]=4 2220 B10R2.62 OC1CN2CCC1CC2 MCULE-4034320126 [1,0,0,1,0,0|1,0,1]=4 2221 B10R2.62 O[C@H]1CN2CCC1CC2 MCULE-3485452372 [1,0,0,1,0,0|1,0,1]=4 2222 B10R2.62 O[C@H]1CN2CCC1CC2 MCULE-5194895134 [1,0,0,1,0,0|1,0,1]=4 2223 B10R2.62 O[C@H]1CN2CCC1CC2 MCULE-7419971082 [1,0,0,1,0,0|1,0,1]=4 2224 B10R2.62 O[C@H]1CN2CCC1CC2 MCULE-9466076774 [1,0,0,1,0,0|1,0,1]=4 2225 B10R2.62 [C@H]1(CN2CCC1CC2)O MCULE-6476491538 [1,0,0,1,0,0|1,0,1]=4 2226 B10R2.62 [NH+]12CCC(CC1)C(=O)C2 MCULE-7751080008 [1,0,0,1,0,0|1,0,1]=4 2227 B10R2.320 O=C1CC2C1CCCC2 MCULE-8899093243 [1,0,0,1,0,0|2,0,0]=4 2228 B10R2.513 O=CC1C2C1CCCC2 MCULE-2761036353 [1,0,0,1,0,0|2,0,0]=4 2229 B10R2.513 OCC1C2C1COCC2 MCULE-3300352259 [1,0,0,1,0,0|1,0,1]=4 2230 B10R2.344 O=C(O)C12CCCC1C2 MCULE-1433395114 [0,0,0,1,1,0|2,0,0]=4 2231 B10R2.344 O=C(O)C12CCNC1C2 MCULE-4622558327 [0,0,0,1,1,0|2,0,0]=4 2232 B10R2.344 O=C(O)C12CCNC1C2 MCULE-5876870827 [0,0,0,1,1,0|2,0,0]=4 2233 B10R2.351 O=C(O)C1C2C1CCC2 MCULE-5457069948 [0,0,0,1,1,0|2,0,0]=4 2234 B10R2.351 O=C(O)C1C2C1CNC2 MCULE-2636221459 [0,0,0,1,1,0|2,0,0]=4 2235 B10R2.351 O=C(O)C1C2C1CNC2 MCULE-6853944528 [0,0,0,1,1,0|2,0,0]=4 2236 B10R2.351 O=C(O)C1C2C1COC2 MCULE-7410101644 [0,0,0,1,1,0|1,0,0]=3 2237 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 MCULE-4336908718 [0,0,0,1,1,0|2,0,0]=4 2238 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1COC2 MCULE-2602641452 [0,0,0,1,1,0|1,0,0]=3 2239 B10R2.351 O=C(O)[C@H]1[C@@H]2[C@H]1CNC2 MCULE-3047485005 [0,0,0,1,1,0|2,0,0]=4 2240 B10R2.351 O=C(O)[C@H]1[C@@H]2[C@H]1CNC2 MCULE-7215981155 [0,0,0,1,1,0|2,0,0]=4 2241 B10R2.351 [C@@H]12CNC[C@@H]1[C@H]2C(=O)O MCULE-8121766639 [0,0,0,1,1,0|2,0,0]=4 2242 B10R2.351 [C@H]12COC[C@H]1[C@H]2C(=O)O MCULE-2561176480 [0,0,0,1,1,0|1,0,0]=3 2243 B10R2.357 CC(=O)N1CC2OC2C1 MCULE-5798145423 [0,0,0,1,1,0|1,0,0]=3 2244 B10R2.357 O=C(Cl)N1CC2CC2C1 MCULE-3221494355 [0,0,0,1,1,0|2,0,0]=4 2245 B10R2.357 O=C(O)C1CC2CC2C1 MCULE-9890442572 [0,0,0,1,1,0|2,0,0]=4 2246 B10R2.357 O=C(O)C1CC2OC2C1 MCULE-1665894100 [0,0,0,1,1,0|1,0,0]=3 2247 B10R2.2 O=C1CC2COCC2C1 MCULE-9710604401 [0,0,0,1,1,0|2,0,0]=4 2248 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 MCULE-4428612171 [0,0,0,1,1,0|2,0,0]=4 2249 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 MCULE-8856251090 [0,0,0,1,1,0|2,0,0]=4 2250 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 MCULE-5371155645 [0,0,0,1,1,0|2,0,0]=4 2251 B10R2.2 O=C1NC2CCCC2O1 MCULE-1083402024 [0,0,0,1,1,0|2,0,0]=4 2252 B10R2.2 [C@@H]12CCC=C1CC(=O)O2 MCULE-9594804536 [0,0,0,1,1,0|1,0,1]=4 2253 B10R2.2 [C@@H]12CCC[C@@H]1NC(=O)C2 MCULE-5874650388 [0,0,0,1,1,0|2,0,0]=4 2254 B10R2.2 [C@@H]12COC[C@@H]1CC(=O)C2 MCULE-2101763922 [0,0,0,1,1,0|2,0,0]=4 2255 B10R2.2 [C@H]12COC[C@@H]1CC(=O)C2 MCULE-3640114932 [0,0,0,1,1,0|2,0,0]=4 2256 B10R2.71 O=C1CC2CCC(C1)C2 MCULE-7387433305 [0,0,0,1,1,0|2,0,0]=4 2257 B10R2.71 O=C1CN2CC[C@@H](C2)N1 MCULE-3819060585 [0,0,0,1,1,0|1,0,0]=3 2258 B10R2.193 C1CCN(C1)CC2CO2 MCULE-6430694001 [0,0,0,1,1,0|1,0,1]=4 2259 B10R2.316 O=C1CC2(C1)CCCC2 MCULE-7565643889 [0,0,0,1,1,0|2,0,0]=4 2260 B10R2.316 O=C1CC2(C1)CCOC2 MCULE-3976945972 [0,0,0,1,1,0|2,0,0]=4 2261 B10R2.316 O=C1CC2(N1)CCCC2 MCULE-3716375013 [0,0,0,1,1,0|2,0,0]=4 2262 B12R2.22 O=C1CC(C1)C2CCOCC2 MCULE-5710758476 [0,0,0,1,0,1|2,0,0]=4 2263 B12R2.22 OC1CC(C1)N2CCOCC2 MCULE-8850810613 [0,0,0,1,0,1|1,0,1]=4 2264 B12R2.22 OC1CC(C1)N2CCOCC2 MCULE-8928375445 [0,0,0,1,0,1|1,0,1]=4 2265 B12R2.24 O=C1CCC2CCCCC2O1 MCULE-8264574980 [0,0,0,1,0,1|2,0,0]=4 2266 B12R2.24 O=C1CCN2CCCCC2C1 MCULE-8834975179 [0,0,0,1,0,1|2,0,0]=4 2267 B12R2.24 O=C1CCN2CCOCC2C1 MCULE-9653993684 [0,0,0,1,0,1|1,0,0]=3 2268 B12R2.24 O=C1CNC2CCCCC2O1 MCULE-1674440433 [0,0,0,1,0,1|2,0,0]=4 2269 B12R2.24 O=C1CSC2CCCCC2O1 MCULE-2850415472 [0,0,0,1,0,1|2,0,0]=4 2270 B12R2.250 O=C(O)C1CC12CCCCC2 MCULE-2503310018 [0,0,0,1,0,1|2,0,0]=4 2271 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-3702584189 [0,0,0,1,0,1|2,0,0]=4 2272 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-8315679139 [0,0,0,1,0,1|2,0,0]=4 2273 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-1128195301 [0,0,0,1,0,1|1,0,0]=3 2274 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-4318104876 [0,0,0,1,0,1|1,0,0]=3 2275 B12R2.250 O=C(O)C1CC12CCSCC2 MCULE-1978392203 [0,0,0,1,0,1|1,1,0]=4 2276 B12R2.250 O=C(O)C1OC12CCCCC2 MCULE-8536739574 [0,0,0,1,0,1|2,0,0]=4 2277 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-3036385474 [0,0,0,1,0,1|1,0,0]=3 2278 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-9402406943 [0,0,0,1,0,1|1,0,0]=3 2279 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-4473969470 [0,0,0,1,0,1|1,0,0]=3 2280 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-5930090560 [0,0,0,1,0,1|1,0,0]=3 2281 B12R2.1367 O=C(O)CN1C2CCC1CC2 MCULE-1481808214 [0,0,0,1,0,1|2,0,0]=4 2282 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-2962671213 [0,0,0,1,0,1|2,0,0]=4 2283 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-3818372379 [0,0,0,1,0,1|2,0,0]=4 2284 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-2932848984 [0,0,0,1,0,1|2,0,0]=4 2285 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-7612344271 [0,0,0,1,0,1|2,0,0]=4 2286 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-9044388786 [0,0,0,1,0,1|2,0,0]=4 2287 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-9459659957 [0,0,0,1,0,1|2,0,0]=4 2288 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-4064016827 [0,0,0,1,0,1|1,0,0]=3 2289 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-6075389298 [0,0,0,1,0,1|1,0,0]=3 2290 B12R2.1392 O=C(O)C1CN2CCN1CC2 MCULE-5187988179 [0,0,0,1,0,1|1,0,0]=3 2291 B12R2.1392 O=C(O)C1CN2CCN1CC2 MCULE-5971881327 [0,0,0,1,0,1|1,0,0]=3 2292 B12R2.1392 O=C(O)C1NC2CCC1CC2 MCULE-3569236190 [0,0,0,1,0,1|2,0,0]=4 2293 B12R2.1392 O=C(O)C1NC2CCC1CC2 MCULE-9158864070 [0,0,0,1,0,1|2,0,0]=4 2294 B12R2.1392 O=C(O)[C@@H]1CC2CCC1CC2 MCULE-1144961730 [0,0,0,1,0,1|2,0,0]=4 2295 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 MCULE-5324528450 [0,0,0,1,0,1|2,0,0]=4 2296 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 MCULE-7182963110 [0,0,0,1,0,1|2,0,0]=4 2297 B12R2.1392 O=C(O)[C@@H]1NC2CCC1CC2 MCULE-6195686243 [0,0,0,1,0,1|2,0,0]=4 2298 B12R2.1392 O=C(O)[C@@H]1NC2CCC1CC2 MCULE-6946147326 [0,0,0,1,0,1|2,0,0]=4 2299 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-5079027279 [0,0,0,1,0,1|2,0,0]=4 2300 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-9891734674 [0,0,0,1,0,1|2,0,0]=4 2301 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 MCULE-6239448607 [0,0,0,1,0,1|2,0,0]=4 2302 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-1617197931 [0,0,0,1,0,1|2,0,0]=4 2303 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-1926890670 [0,0,0,1,0,1|2,0,0]=4 2304 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-2445923207 [0,0,0,1,0,1|2,0,0]=4 2305 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-4433008686 [0,0,0,1,0,1|2,0,0]=4 2306 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-4249934614 [0,0,0,1,0,1|2,0,0]=4 2307 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-9578754994 [0,0,0,1,0,1|2,0,0]=4 2308 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-9963300684 [0,0,0,1,0,1|2,0,0]=4 2309 B12R2.2918 O=C1CC2(CCOCC2)CN1 MCULE-5812465485 [0,0,0,1,0,1|2,0,0]=4 2310 B12R2.2918 O=C1CCC2(O1)CCCCC2 MCULE-2524698119 [0,0,0,1,0,1|2,0,0]=4 2311 B12R2.2918 O=C1CCC2(O1)CCNCC2 MCULE-5449830396 [0,0,0,1,0,1|2,0,0]=4 2312 B12R2.2918 O=C1CCC2(O1)CCNCC2 MCULE-7439815792 [0,0,0,1,0,1|2,0,0]=4 2313 B12R2.2918 O=C1COC2(O1)CCCCC2 MCULE-2313287382 [0,0,0,1,0,1|2,0,0]=4 2314 B12R2.2918 O=C1CSC2(N1)CCOCC2 MCULE-4092925298 [0,0,0,1,0,1|2,0,0]=4 2315 B12R2.2918 O=C1NC2(CCOCC2)CO1 MCULE-3435477882 [0,0,0,1,0,1|2,0,0]=4 2316 B12R2.2918 O=C1NCC2(O1)CCCCC2 MCULE-5479893010 [0,0,0,1,0,1|2,0,0]=4 2317 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-1720445749 [0,0,0,1,0,1|2,0,0]=4 2318 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-2982199364 [0,0,0,1,0,1|2,0,0]=4 2319 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-6335475631 [0,0,0,1,0,1|2,0,0]=4 2320 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-2077507217 [0,0,0,1,0,1|2,0,0]=4 2321 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-9643606091 [0,0,0,1,0,1|2,0,0]=4 2322 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-4276510642 [0,0,0,1,0,1|2,0,0]=4 2323 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-6673298372 [0,0,0,1,0,1|2,0,0]=4 2324 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-9393277411 [0,0,0,1,0,1|2,0,0]=4 2325 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-9559569552 [0,0,0,1,0,1|2,0,0]=4 2326 B12R2.1365 O=C(O)C1C2CCC1CNC2 MCULE-5603355129 [0,0,0,1,0,1|2,0,0]=4 2327 B12R2.1365 O=C(O)C1C2CCC1CNC2 MCULE-9881336877 [0,0,0,1,0,1|2,0,0]=4 2328 B12R2.1655 O=C(O)CC1CCC2CC2C1 MCULE-6785284610 [0,0,0,1,0,1|2,0,0]=4 2329 B12R2.89 CN1CCC2C(C1)C2C(=O)O MCULE-3970218631 [0,1,0,1,0,0|2,0,0]=4 2330 B12R2.3257 O=C(O)CC12CCC(C1)CC2 MCULE-7597772628 [0,1,0,1,0,0|2,0,0]=4 2331 B12R2.23 OC1CCC1N2CCOCC2 MCULE-8435798025 [0,1,0,1,0,0|1,0,1]=4 2332 B12R2.1626 COC(=O)CC1C2C1CNC2 MCULE-4218904333 [0,1,0,1,0,0|2,0,0]=4 2333 B12R2.1626 COC(=O)CC1C2C1CNC2 MCULE-6436672628 [0,1,0,1,0,0|2,0,0]=4 2334 B12R2.1626 [C@@H]12CNC[C@@H]1[C@@H]2CC(=O)OC MCULE-7888868674 [0,1,0,1,0,0|2,0,0]=4 2335 B12R2.1626 [C@@H]12CNC[C@@H]1[C@@H]2CC(=O)OC MCULE-7919238546 [0,1,0,1,0,0|2,0,0]=4 2336 B12R2.1626 [C@@H]12CNC[C@@H]1[C@H]2CC(=O)OC MCULE-5320982344 [0,1,0,1,0,0|2,0,0]=4 2337 B12R2.1626 [C@@H]12CNC[C@@H]1[C@H]2CC(=O)OC MCULE-5922067073 [0,1,0,1,0,0|2,0,0]=4 2338 B12R2.3511 COC(=O)C1C2C1CCCC2 MCULE-6065075859 [0,1,0,1,0,0|2,0,0]=4 2339 B12R2.1661 O=C(O)CC1CC2CCC1C2 MCULE-5339221610 [0,1,0,1,0,0|2,0,0]=4 2340 B12R2.1661 O=C(O)CC1CC2CCC1O2 MCULE-4541461263 [0,1,0,1,0,0|2,0,0]=4 2341 B12R2.1661 O=C(O)CN1CC2CCC1C2 MCULE-2270425781 [0,1,0,1,0,0|1,0,0]=3 2342 B12R2.1661 O=C(O)CN1CC2CCC1C2 MCULE-6766378440 [0,1,0,1,0,0|1,0,0]=3 2343 B12R2.1661 [C@@H]12CC[C@@H](C1)C(C2)CC(=O)O MCULE-3421570833 [0,1,0,1,0,0|2,0,0]=4 2344 B12R2.1661 [C@@H]12CC[C@@H](C1)C(C2)CC(=O)O MCULE-7337271479 [0,1,0,1,0,0|2,0,0]=4 2345 B12R2.1661 [C@H]12CC[C@H](C1)CN2CC(=O)O MCULE-7434841215 [0,1,0,1,0,0|1,0,0]=3 2346 B12R3.1407 O=C(O)C1C2CC3C1C3C2 MCULE-6715677747 [0,0,0,2,0,0|2,0,0]=4 2347 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,1,0,1,0|2,0,0]=4 2348 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,0,1,0,1,0|2,0,0]=4 2349 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,1,0,1,0|2,0,0]=4 2350 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,1,0,1,0|2,0,0]=4 2351 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,1,0,1,0|2,0,0]=4 2352 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,0,1,0,1,0|2,0,0]=4 2353 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,0,1,0,1,0|1,0,0]=3 2354 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,0,1,0,1,0|2,0,0]=4 2355 B8R0.8 COCCN(C)C(=N)N MCULE-1439248667 [0,0,1,0,1,0|2,0,0]=4 2356 B8R0.8 COCCN(C)C(=N)N MCULE-2072919131 [0,0,1,0,1,0|2,0,0]=4 2357 B8R0.8 COCCN(C)C(=S)N MCULE-9549109784 [0,0,1,0,1,0|1,1,0]=4 2358 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,0,1,0,1,0|2,0,0]=4 2359 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,0,1,0,1,0|2,0,0]=4 2360 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,0,1,0,1,0|2,0,0]=4 2361 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,0,1,0,1,0|2,0,0]=4 2362 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,0,1,0,1,0|2,0,0]=4 2363 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,0,1,0,1,0|2,0,0]=4 2364 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,0,1,0,1,0|2,0,0]=4 2365 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,0,1,0,1,0|2,0,0]=4 2366 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,0,1,0,1,0|2,0,0]=4 2367 B8R1.8 BrCCN1CCCC1 MCULE-2990538836 [1,0,0,0,1,0|1,0,1]=4 2368 B8R1.8 BrCCN1CCCC1 MCULE-5221056964 [1,0,0,0,1,0|1,0,1]=4 2369 B8R1.8 BrCCN1CCCC1 MCULE-6489204087 [1,0,0,0,1,0|1,0,1]=4 2370 B8R1.8 C#CCN1CCCC1 MCULE-5162903851 [1,0,0,0,1,0|1,0,1]=4 2371 B8R1.8 C#CCN1CCCC1 MCULE-6581212444 [1,0,0,0,1,0|1,0,1]=4 2372 B8R1.8 C=CCC1CCCC1 MCULE-6306576171 [1,0,0,0,1,0|2,0,0]=4 2373 B8R1.8 ClCCN1CCCC1 MCULE-4566854185 [1,0,0,0,1,0|1,0,1]=4 2374 B8R1.8 ClCCN1CCCC1 MCULE-4726707884 [1,0,0,0,1,0|1,0,1]=4 2375 B8R1.8 ICCN1CCCC1 MCULE-8312907762 [1,0,0,0,1,0|1,0,1]=4 2376 B8R1.8 ICCN1CCCC1 MCULE-9169612289 [1,0,0,0,1,0|1,0,1]=4 2377 B8R1.8 N#CCN1CCCC1 MCULE-9606685840 [1,0,0,0,1,0|1,0,1]=4 2378 B8R1.8 N#CCN1CCOC1 MCULE-1904432246 [1,0,0,0,1,0|1,0,1]=4 2379 B8R1.8 NCCN1CCCC1 MCULE-3440987582 [1,0,0,0,1,0|1,0,1]=4 2380 B8R1.8 NCCN1CCCC1 MCULE-7056026855 [1,0,0,0,1,0|1,0,1]=4 2381 B8R1.8 O=CCC1CCCC1 MCULE-1337960294 [1,0,0,0,1,0|1,0,0]=3 2382 B8R1.8 O=CCC1CCOC1 MCULE-3891672561 [1,0,0,0,1,0|1,0,0]=3 2383 B8R1.8 O=CCN1CCCC1 MCULE-4391534239 [1,0,0,0,1,0|0,0,0]=2 2384 B8R1.8 O=CNC1CCCC1 MCULE-1453368274 [1,0,0,0,1,0|2,0,0]=4 2385 B8R1.8 OCCC1CCCC1 MCULE-3680571056 [1,0,0,0,1,0|1,0,1]=4 2386 B8R1.8 OCCC1CCOC1 MCULE-8353283749 [1,0,0,0,1,0|1,0,1]=4 2387 B8R1.8 OCCN1CCCC1 MCULE-5922471274 [1,0,0,0,1,0|0,0,1]=3 2388 B8R1.8 OCCN1CCCC1 MCULE-7598437595 [1,0,0,0,1,0|0,0,1]=3 2389 B8R1.8 OCCN1CCOC1 MCULE-6124998419 [1,0,0,0,1,0|0,0,1]=3 2390 B8R1.8 SCCN1CCCC1 MCULE-6946048852 [1,0,0,0,1,0|0,1,1]=4 2391 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,0,2,0|2,0,0]=4 2392 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,0,2,0|2,0,0]=4 2393 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,0,2,0|1,0,0]=3 2394 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,0,2,0|2,0,0]=4 2395 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,0,2,0|2,0,0]=4 2396 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,0,2,0|1,0,0]=3 2397 B8R1.7 N=C(N)N1CCCC1 MCULE-1081237301 [0,0,0,0,2,0|2,0,0]=4 2398 B8R1.7 N=C(N)N1CCCC1 MCULE-2310711826 [0,0,0,0,2,0|2,0,0]=4 2399 B8R1.7 N=C(N)N1CCCC1 MCULE-5860683743 [0,0,0,0,2,0|2,0,0]=4 2400 B8R1.7 N=C(N)N1CCCC1 MCULE-9334495491 [0,0,0,0,2,0|2,0,0]=4 2401 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,0,2,0|2,0,0]=4 2402 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,0,0,0,2,0|2,0,0]=4 2403 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,0,0,2,0|1,0,0]=3 2404 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,0,0,0,2,0|2,0,0]=4 2405 B8R1.7 NC(=S)N1CCCC1 MCULE-1483517657 [0,0,0,0,2,0|1,1,0]=4 2406 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,0,2,0|2,0,0]=4 2407 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,0,0,0,2,0|2,0,0]=4 2408 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,0,0,0,2,0|1,0,0]=3 2409 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,0,2,0|1,0,1]=4 2410 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,0,0,0,2,0|1,0,1]=4 2411 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,0,0,2,0|1,0,1]=4 2412 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,0,2,0|2,0,0]=4 2413 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,0,0,2,0|2,0,0]=4 2414 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,0,2,0|1,0,0]=3 2415 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,0,2,0|2,0,0]=4 2416 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,0,2,0|2,0,0]=4 2417 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,0,2,0|2,0,0]=4 2418 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,0,2,0|2,0,0]=4 2419 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,0,2,0|2,0,0]=4 2420 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,0,2,0|2,0,0]=4 2421 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,0,2,0|2,0,0]=4 2422 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,0,2,0|2,0,0]=4 2423 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,0,2,0|2,0,0]=4 2424 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,0,2,0|2,0,0]=4 2425 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,0,2,0|1,0,0]=3 2426 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,0,2,0|1,1,0]=4 2427 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,0,0,0,2,0|2,0,0]=4 2428 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,0,0,0,2,0|2,0,0]=4 2429 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,0,2,0|0,0,0]=2 2430 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,0,2,0|2,0,0]=4 2431 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,0,2,0|2,0,0]=4 2432 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,0,2,0|2,0,0]=4 2433 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,0,2,0|2,0,0]=4 2434 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,0,2,0|2,0,0]=4 2435 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,0,2,0|2,0,0]=4 2436 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,0,2,0|2,0,0]=4 2437 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,0,2,0|2,0,0]=4 2438 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,0,2,0|2,0,0]=4 2439 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,0,2,0|2,0,0]=4 2440 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,0,2,0|1,0,0]=3 2441 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,0,2,0|1,0,0]=3 2442 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,0,0,0,2,0|2,0,0]=4 2443 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,0,0,0,2,0|2,0,0]=4 2444 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,0,0,0,2,0|2,0,0]=4 2445 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,0,0,0,2,0|2,0,0]=4 2446 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,0,2,0|2,0,0]=4 2447 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,0,2,0|2,0,0]=4 2448 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,0,2,0|2,0,0]=4 2449 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,0,2,0|2,0,0]=4 2450 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,0,2,0|2,0,0]=4 2451 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,0,2,0|2,0,0]=4 2452 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,0,2,0|2,0,0]=4 2453 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,0,2,0|2,0,0]=4 2454 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,0,2,0|1,0,0]=3 2455 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,0,2,0|1,0,0]=3 2456 B8R1.7 S=C(S)N1CCCC1 MCULE-1085952223 [0,0,0,0,2,0|0,2,0]=4 2457 B8R1.7 S=C([S-])N1CCCC1 MCULE-9299211770 [0,0,0,0,2,0|0,2,0]=4 2458 B8R1.7 S=C([S-])N1CCCC1 MCULE-9637056918 [0,0,0,0,2,0|0,2,0]=4 2459 B8R1.7 [NH2+]=C(N)N1CCCC1 MCULE-9887365479 [0,0,0,0,2,0|2,0,0]=4 2460 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,0,0,0,2,0|2,0,0]=4 2461 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,0,0,0,2,0|2,0,0]=4 2462 B8R1.34 CC(O)CN1CCC1 MCULE-5888012727 [0,0,0,0,2,0|1,0,1]=4 2463 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,0,0,0,2,0|2,0,0]=4 2464 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,0,0,0,2,0|1,0,1]=4 2465 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,0,2,0|1,0,0]=3 2466 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,0,2,0|2,0,0]=4 2467 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,0,2,0|1,0,0]=3 2468 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,0,2,0|2,0,0]=4 2469 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,0,2,0|2,0,0]=4 2470 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,0,2,0|2,0,0]=4 2471 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,0,2,0|1,0,0]=3 2472 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,0,2,0|1,1,0]=4 2473 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,0,2,0|0,0,0]=2 2474 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,0,2,0|0,0,0]=2 2475 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,0,0,0,2,0|1,0,1]=4 2476 B10R1.85 BrCCN1CCCOCC1 MCULE-7584035395 [1,0,0,0,0,1|1,0,1]=4 2477 B10R1.85 BrCCN1CCCOCC1 MCULE-9341479214 [1,0,0,0,0,1|1,0,1]=4 2478 B10R1.85 C=CCN1CCCNCC1 MCULE-7365459686 [1,0,0,0,0,1|2,0,0]=4 2479 B10R1.85 NCCN1CCCOCC1 MCULE-9147450831 [1,0,0,0,0,1|1,0,1]=4 2480 B10R1.85 O=CCC1CCCCCC1 MCULE-6382907203 [1,0,0,0,0,1|2,0,0]=4 2481 B10R1.85 OCCN1CCCCCC1 MCULE-5823768484 [1,0,0,0,0,1|1,0,1]=4 2482 B10R1.85 OCCN1CCCNCC1 MCULE-2939542348 [1,0,0,0,0,1|1,0,1]=4 2483 B10R1.85 OCCN1CCCOCC1 MCULE-4467451576 [1,0,0,0,0,1|0,0,1]=3 2484 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-2541705969 [0,0,0,0,0,2|2,0,0]=4 2485 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-8698410675 [0,0,0,0,0,2|2,0,0]=4 2486 B12R1.252 N=C(N)NCCN1CCOCC1 MCULE-7857360570 [0,0,0,0,0,2|2,0,0]=4 2487 B12R1.252 NC(=O)CNCC1CCOCC1 MCULE-8061631380 [0,0,0,0,0,2|2,0,0]=4 2488 B12R1.252 NC(=O)NCCN1CCOCC1 MCULE-1294834192 [0,0,0,0,0,2|1,0,0]=3 2489 B12R1.252 NC(=O)NCCN1CCOCC1 MCULE-9846689144 [0,0,0,0,0,2|1,0,0]=3 2490 B12R1.252 NC(=S)NCCN1CCOCC1 MCULE-3254127479 [0,0,0,0,0,2|1,1,0]=4 2491 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-2574027587 [0,0,0,0,0,2|1,0,0]=3 2492 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-7976173160 [0,0,0,0,0,2|1,0,0]=3 2493 B12R1.252 O=C(O)/C=C/CN1CCOCC1 MCULE-7341775027 [0,0,0,0,0,2|0,0,0]=2 2494 B12R1.252 O=C(O)/C=C/CN1CCOCC1 MCULE-8937175290 [0,0,0,0,0,2|0,0,0]=2 2495 B12R1.252 O=C(O)C#CCN1CCOCC1 MCULE-5026359076 [0,0,0,0,0,2|0,0,0]=2 2496 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-2313554291 [0,0,0,0,0,2|1,0,0]=3 2497 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-5619896364 [0,0,0,0,0,2|1,0,0]=3 2498 B12R1.252 O=C(O)C=CCN1CCOCC1 MCULE-4167946514 [0,0,0,0,0,2|0,0,0]=2 2499 B12R1.252 O=C(O)C=CCN1CCOCC1 MCULE-4570784978 [0,0,0,0,0,2|0,0,0]=2 2500 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [0,0,0,0,0,2|2,0,0]=4 2501 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [0,0,0,0,0,2|2,0,0]=4 2502 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [0,0,0,0,0,2|2,0,0]=4 2503 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [0,0,0,0,0,2|1,0,0]=3 2504 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [0,0,0,0,0,2|1,0,0]=3 2505 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [0,0,0,0,0,2|1,0,0]=3 2506 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [0,0,0,0,0,2|0,0,0]=2 2507 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [0,0,0,0,0,2|0,0,0]=2 2508 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [0,0,0,0,0,2|2,0,0]=4 2509 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [0,0,0,0,0,2|1,0,0]=3 2510 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [0,0,0,0,0,2|2,0,0]=4 2511 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [0,0,0,0,0,2|2,0,0]=4 2512 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [0,0,0,0,0,2|2,0,0]=4 2513 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [0,0,0,0,0,2|1,0,0]=3 2514 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [0,0,0,0,0,2|1,0,0]=3 2515 B12R1.1343 O=C(O)CCN1CSCCSC1 MCULE-9661159221 [0,0,0,0,0,2|2,0,0]=4 2516 B12R1.1343 O=C(O)CNC1=NCCCCC1 MCULE-2991973710 [0,0,0,0,0,2|2,0,0]=4 2517 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [0,0,0,0,0,2|2,0,0]=4 2518 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [0,0,0,0,0,2|2,0,0]=4 2519 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [0,0,0,0,0,2|1,0,0]=3