0 B13R2.292 CCNC1CCCc2c1cco2 269862a_100015525214_100000744050 [0,0,0,0,0,0|3,1,0]=4 1 B13R2.292 CCNC1CCCc2c1ccs2 269862a_100015525214_100000024123 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.292 CNCc1cccc2c1ccs2 207a_100102657272_100009860987 [0,0,0,0,0,0|1,0,3]=4 5 B13R2.292 CNCc1cccc2c1ccs2 270004a_106832991635_100009860987 [0,0,0,0,0,0|1,0,3]=4 6 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,0,0,0,0,0|0,0,0]=0 7 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,0,0,0,0,0|0,0,0]=0 8 B12R2.315 CNC1CCCc2c1cco2 269862a_106832991636_100000744050 [1,0,0,0,0,0|1,1,0]=3 9 B12R2.315 CNC1CCCc2c1ccs2 269862a_106832991636_100000024123 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.315 CNC1CCCn2c1ccn2 269862a_106832991636_100009866777 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.892 CCCNC1CCCc2c1cco2 269862a_100020643023_100000744050 [0,1,0,0,0,0|2,1,0]=4 13 B14R2.892 CCCNC1CCCc2c1ccs2 269862a_100020643023_100000024123 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [0,1,0,0,0,0|0,0,0]=1 15 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.892 CCNN=C1CCCc2c1ccs2 4a_100000756455_100000024123 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.892 FCCNC1CCCc2c1ccs2 269862a_100000724931_100000024123 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.892 FCNCC1OCCc2c1ccs2 34a_100025773454_100015361967 [0,1,0,0,0,0|0,0,0]=1 19 B14R2.892 OCCNC1CCCc2c1ccs2 269862a_100000210304_100000024123 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.37 BrCCCOCCc1cccs1 34a_100011217188_100000748579 [0,0,1,0,0,0|2,0,0]=3 21 B12R1.37 C#CCCNCCc1cccs1 2230a_100000203755_100000688953 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.37 C#CCCNCCc1cccs1 34a_100000203755_100000688953 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.37 C#CCCNCCc1cccs1 34a_100000755551_100000748579 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.37 C#CCCOCCc1cccs1 34a_100011215631_100000748579 [0,0,1,0,0,0|1,0,1]=3 25 B12R1.37 C#CCCOCCc1cccs1 34a_100011216825_100000688953 [0,0,1,0,0,0|1,0,1]=3 26 B12R1.37 C#CCCOCCc1cccs1 7a_100011216825_100000688953 [0,0,1,0,0,0|1,0,1]=3 27 B12R1.37 C#CCCSCCc1cccs1 62a_100000688953_100000748579 [0,0,1,0,0,0|1,1,1]=4 28 B12R1.37 C#CCCSCCc1cccs1 62a_100000748579_100000688953 [0,0,1,0,0,0|1,1,1]=4 29 B12R1.37 C/C=C/CNCCc1cccs1 34a_100000203755_100102629194 [0,0,1,0,0,0|2,0,1]=4 30 B12R1.37 C/C=C/COCCc1cccs1 34a_100011216825_100102629194 [0,0,1,0,0,0|1,0,1]=3 31 B12R1.37 C/C=C/COCCc1cccs1 34a_100016270725_100000748579 [0,0,1,0,0,0|1,0,1]=3 32 B12R1.37 C/C=C/COCCc1cccs1 7a_100011216825_100102629194 [0,0,1,0,0,0|1,0,1]=3 33 B12R1.37 C/C=C/CSCCc1cccs1 62a_100000748579_100102629194 [0,0,1,0,0,0|1,1,1]=4 34 B12R1.37 C/C=C/CSCCc1cccs1 62a_100102629194_100000748579 [0,0,1,0,0,0|1,1,1]=4 35 B12R1.37 C=CCCNCCc1cccs1 2230a_100000203755_100000754431 [0,0,1,0,0,0|2,0,1]=4 36 B12R1.37 C=CCCNCCc1cccs1 2230a_100015191253_100000748579 [0,0,1,0,0,0|2,0,1]=4 37 B12R1.37 C=CCCNCCc1cccs1 34a_100000203755_100000754431 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.37 C=CCCOCCc1cccs1 34a_100011205117_100000748579 [0,0,1,0,0,0|1,0,1]=3 39 B12R1.37 C=CCCOCCc1cccs1 34a_100011216825_100000754431 [0,0,1,0,0,0|1,0,1]=3 40 B12R1.37 C=CCCOCCc1cccs1 7a_100011216825_100000754431 [0,0,1,0,0,0|1,0,1]=3 41 B12R1.37 C=CCCSCCc1cccs1 62a_100000748579_100000754431 [0,0,1,0,0,0|1,1,1]=4 42 B12R1.37 C=CCCSCCc1cccs1 62a_100000754431_100000748579 [0,0,1,0,0,0|1,1,1]=4 43 B12R1.37 CC#CCNCCc1cccs1 2230a_100000203755_100000748600 [0,0,1,0,0,0|2,0,1]=4 44 B12R1.37 CC#CCNCCc1cccs1 2230a_100000685387_100000748579 [0,0,1,0,0,0|2,0,1]=4 45 B12R1.37 CC#CCNCCc1cccs1 34a_100000203755_100000748600 [0,0,1,0,0,0|2,0,1]=4 46 B12R1.37 CC#CCNCCc1cccs1 34a_100000685387_100000748579 [0,0,1,0,0,0|2,0,1]=4 47 B12R1.37 CC#CCOCCc1cccs1 34a_100000761923_100000748579 [0,0,1,0,0,0|1,0,1]=3 48 B12R1.37 CC#CCOCCc1cccs1 34a_100011216825_100000748600 [0,0,1,0,0,0|1,0,1]=3 49 B12R1.37 CC#CCOCCc1cccs1 7a_100011216825_100000748600 [0,0,1,0,0,0|1,0,1]=3 50 B12R1.37 CC#CCSCCc1cccs1 62a_100000748579_100000748600 [0,0,1,0,0,0|1,1,1]=4 51 B12R1.37 CC#CCSCCc1cccs1 62a_100000748600_100000748579 [0,0,1,0,0,0|1,1,1]=4 52 B12R1.37 CC=CCNCCc1cccs1 2230a_100000203755_100000070051 [0,0,1,0,0,0|2,0,1]=4 53 B12R1.37 CC=CCNCCc1cccs1 34a_100000203755_100000070051 [0,0,1,0,0,0|2,0,1]=4 54 B12R1.37 CC=CCOCCc1cccs1 34a_100011216825_100000070051 [0,0,1,0,0,0|1,0,1]=3 55 B12R1.37 CC=CCOCCc1cccs1 7a_100011216825_100000070051 [0,0,1,0,0,0|1,0,1]=3 56 B12R1.37 CC=CCSCCc1cccs1 62a_100000070051_100000748579 [0,0,1,0,0,0|1,1,1]=4 57 B12R1.37 CC=CCSCCc1cccs1 62a_100000748579_100000070051 [0,0,1,0,0,0|1,1,1]=4 58 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,0,1,0,0,0|2,1,0]=4 65 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,0,1,0,0,0|2,1,0]=4 66 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [0,0,1,0,0,0|2,0,0]=3 67 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [0,0,1,0,0,0|2,0,0]=3 68 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [0,0,1,0,0,0|2,0,0]=3 69 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [0,0,1,0,0,0|2,0,0]=3 70 B12R1.37 CCCCNCCc1cncs1 2230a_100016991637_100000210211 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.37 CCCCNCCc1nccs1 2230a_100015186391_100000210211 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.37 CCCCOCCc1c[nH]cn1 7a_100000210227_100020628418 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,0,1,0,0,0|1,0,0]=2 74 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,0,1,0,0,0|1,0,0]=2 75 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,0,1,0,0,0|1,0,0]=2 76 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,0,1,0,0,0|1,0,0]=2 77 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.37 CCCCOCCc1ncc[nH]1 34a_103549771195_100000210210 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.37 CCCCOCCn1cccc1 34a_100000179382_100000210210 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.37 CCCCOCCn1cccc1 7a_100000210227_200000035178 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.37 CCCCOCCn1cccn1 34a_100000210227_100015204718 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.37 CCCCOCCn1cccn1 34a_100000743371_100000210210 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.37 CCCCOCCn1cccn1 7a_100000210227_100000685285 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [0,0,1,0,0,0|2,1,0]=4 85 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [0,0,1,0,0,0|2,1,0]=4 86 B12R1.37 CCCCOCSc1cccs1 62a_100011215356_100011995733 [0,0,1,0,0,0|2,0,0]=3 87 B12R1.37 CCCCOCSc1cccs1 62a_100011995733_100011215356 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.37 CCCCOCSc1cncs1 62a_100011934649_100011995733 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.37 CCCCOCSc1cncs1 62a_100011995733_100011934649 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.37 CCCCOCSc1nccs1 62a_100000211983_100011995733 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.37 CCCCOCSc1nccs1 62a_100011995733_100000211983 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [0,0,1,0,0,0|1,1,0]=3 93 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [0,0,1,0,0,0|1,1,0]=3 94 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,0,1,0,0,0|3,0,0]=4 97 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.37 CCOCSCCc1cccs1 62a_100000739092_100000748579 [0,0,1,0,0,0|2,1,0]=4 100 B12R1.37 CCOCSCCc1cccs1 62a_100000748579_100000739092 [0,0,1,0,0,0|2,1,0]=4 101 B12R1.37 CNCCCOCc1cncs1 34a_100000213112_100015185245 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.37 CNCCCOCc1nccs1 34a_100000213112_100015184050 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.37 COCCCNCc1cccs1 207a_100150723488_100000209959 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.37 COCCCNCc1cccs1 2230a_100000211653_100000740836 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.37 COCCCNCc1cccs1 270004a_100150723488_100000209959 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.37 COCCCNCc1cccs1 34a_100015187169_200000210301 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.37 COCCCOCc1cccs1 34a_100000211240_100000740836 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [0,0,1,0,0,0|2,1,0]=4 111 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [0,0,1,0,0,0|2,1,0]=4 112 B12R1.37 COCCNCCc1cccs1 2230a_100000203755_100011201679 [0,0,1,0,0,0|2,0,0]=3 113 B12R1.37 COCCNCCc1cccs1 2230a_100000209980_100000748579 [0,0,1,0,0,0|2,0,0]=3 114 B12R1.37 COCCNCCc1cccs1 34a_100000203755_100011201679 [0,0,1,0,0,0|2,0,0]=3 115 B12R1.37 COCCNCCc1cncs1 2230a_100016991637_100011201679 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.37 COCCNCCc1nccs1 2230a_100015186391_100011201679 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.37 COCCOCCc1cccs1 34a_100000210237_100000748579 [0,0,1,0,0,0|1,0,0]=2 118 B12R1.37 COCCOCCc1cccs1 34a_100011216825_100011201679 [0,0,1,0,0,0|1,0,0]=2 119 B12R1.37 COCCOCCc1cccs1 7a_100011216825_100000233755 [0,0,1,0,0,0|1,0,0]=2 120 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.37 COCCOCCc1ncc[nH]1 34a_103549771195_100011201679 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.37 COCCOCCn1cccc1 34a_100000179382_100011201679 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.37 COCCOCCn1cccn1 34a_100000210237_100015204718 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.37 COCCOCCn1cccn1 34a_100000743371_100011201679 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.37 COCCOCSc1ccco1 62a_100000231047_100009814098 [0,0,1,0,0,0|2,1,0]=4 126 B12R1.37 COCCOCSc1ccco1 62a_100009814098_100000231047 [0,0,1,0,0,0|2,1,0]=4 127 B12R1.37 COCCOCSc1cccs1 62a_100000231047_100011215356 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.37 COCCOCSc1cccs1 62a_100011215356_100000231047 [0,0,1,0,0,0|2,0,0]=3 129 B12R1.37 COCCOCSc1cncs1 62a_100000231047_100011934649 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.37 COCCOCSc1cncs1 62a_100011934649_100000231047 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.37 COCCOCSc1nccs1 62a_100000211983_100000231047 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.37 COCCOCSc1nccs1 62a_100000231047_100000211983 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.37 COCCSCCc1cccs1 62a_100000233755_100000748579 [0,0,1,0,0,0|1,1,0]=3 134 B12R1.37 COCCSCCc1cccs1 62a_100000748579_100000233755 [0,0,1,0,0,0|1,1,0]=3 135 B12R1.37 COCSCCCc1cccs1 62a_100000766300_100010992444 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.37 COCSCCCc1cccs1 62a_100010992444_100000766300 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.37 CSCCCNCc1cccs1 207a_100000749238_100000209959 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.37 CSCCCNCc1cccs1 270004a_100000749238_100000209959 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.37 CSCCNCCc1ccco1 2230a_100000694680_100000751147 [0,0,1,0,0,0|2,1,0]=4 140 B12R1.37 CSCCNCCc1ccco1 34a_100000694680_100000212216 [0,0,1,0,0,0|2,1,0]=4 141 B12R1.37 CSCCNCCc1cccs1 2230a_100000203755_100000751147 [0,0,1,0,0,0|2,0,0]=3 142 B12R1.37 CSCCNCCc1cccs1 2230a_100020590264_100000748579 [0,0,1,0,0,0|2,0,0]=3 143 B12R1.37 CSCCNCCc1cccs1 34a_100000203755_100000212216 [0,0,1,0,0,0|2,0,0]=3 144 B12R1.37 CSCCNCCc1cncs1 2230a_100016991637_100000751147 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.37 CSCCNCCc1nccs1 2230a_100015186391_100000751147 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.37 CSCCOCCc1c[nH]cn1 7a_100000230434_100020628418 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.37 CSCCOCCc1cccs1 34a_100000230434_100000748579 [0,0,1,0,0,0|1,0,0]=2 148 B12R1.37 CSCCOCCc1cccs1 34a_100011216825_100000212216 [0,0,1,0,0,0|1,0,0]=2 149 B12R1.37 CSCCOCCc1cccs1 7a_100000230434_100000748579 [0,0,1,0,0,0|1,0,0]=2 150 B12R1.37 CSCCOCCc1cccs1 7a_100011216825_100000212216 [0,0,1,0,0,0|1,0,0]=2 151 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.37 CSCCOCCc1ncc[nH]1 34a_103549771195_100000212216 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.37 CSCCOCCn1cccc1 34a_100000179382_100000212216 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.37 CSCCOCCn1cccc1 7a_100000230434_200000035178 [0,0,1,0,0,0|3,0,0]=4 155 B12R1.37 CSCCOCCn1cccn1 34a_100000230434_100015204718 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.37 CSCCOCCn1cccn1 34a_100000743371_100000212216 [0,0,1,0,0,0|3,0,0]=4 157 B12R1.37 CSCCOCCn1cccn1 7a_100000230434_100000685285 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.37 CSCCSCCc1cccs1 62a_100000212216_100000748579 [0,0,1,0,0,0|1,1,0]=3 159 B12R1.37 CSCCSCCc1cccs1 62a_100000748579_100000751147 [0,0,1,0,0,0|1,1,0]=3 160 B12R1.37 CSCOCCCc1cccs1 34a_100011713143_100011218213 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.37 CSCSCCCc1cccs1 62a_100010992444_100011218213 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.37 CSCSCCCc1cccs1 62a_100011218213_100010992444 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.37 ClCCCOCCc1cccs1 34a_100000230001_100000748579 [0,0,1,0,0,0|2,0,0]=3 164 B12R1.37 FCCCNCCc1cccs1 2230a_100000203755_100011934791 [0,0,1,0,0,0|3,0,0]=4 165 B12R1.37 FCCCNCCc1cccs1 2230a_100015189416_100000748579 [0,0,1,0,0,0|3,0,0]=4 166 B12R1.37 FCCCNCCc1cccs1 34a_100000203755_100011934791 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.37 FCCCNCCc1cccs1 34a_100015189416_100000748579 [0,0,1,0,0,0|3,0,0]=4 168 B12R1.37 FCCCOCCc1cccs1 34a_100000759539_100000748579 [0,0,1,0,0,0|2,0,0]=3 169 B12R1.37 FCCCOCCc1cccs1 34a_100011216825_100011934791 [0,0,1,0,0,0|2,0,0]=3 170 B12R1.37 FCCCOCCc1cccs1 7a_100011216825_100011934791 [0,0,1,0,0,0|2,0,0]=3 171 B12R1.37 FCCCSCCc1cccs1 62a_100000748579_100011934791 [0,0,1,0,0,0|2,1,0]=4 172 B12R1.37 FCCCSCCc1cccs1 62a_100011934791_100000748579 [0,0,1,0,0,0|2,1,0]=4 173 B12R1.37 N#CCCNCCc1cccs1 2230a_100000203755_100011215226 [0,0,1,0,0,0|3,0,0]=4 174 B12R1.37 N#CCCOCCc1cccs1 7a_100011216825_100000184422 [0,0,1,0,0,0|2,0,0]=3 175 B12R1.37 N#CCCSCCc1cccs1 62a_100000748579_100011215226 [0,0,1,0,0,0|2,1,0]=4 176 B12R1.37 N#CCCSCCc1cccs1 62a_100011215226_100000748579 [0,0,1,0,0,0|2,1,0]=4 177 B12R1.37 NCCCOCCc1cccs1 34a_100000182051_100000748579 [0,0,1,0,0,0|2,0,0]=3 178 B12R1.37 NOCCOCCc1cccs1 34a_100000700252_100000748579 [0,0,1,0,0,0|2,0,0]=3 179 B12R1.37 OCCCNCCc1cccs1 2230a_100000203755_100000230001 [0,0,1,0,0,0|3,0,0]=4 180 B12R1.37 OCCCNCCc1cccs1 34a_100000203755_100000230001 [0,0,1,0,0,0|3,0,0]=4 181 B12R1.37 OCCCOCCc1cccs1 34a_100011216825_100000230001 [0,0,1,0,0,0|2,0,0]=3 182 B12R1.37 OCCCOCCc1cccs1 7a_100011216825_100011215043 [0,0,1,0,0,0|2,0,0]=3 183 B12R1.37 OCCCSCCc1cccs1 62a_100000748579_100011215043 [0,0,1,0,0,0|2,1,0]=4 184 B12R1.37 OCCCSCCc1cccs1 62a_100011215043_100000748579 [0,0,1,0,0,0|2,1,0]=4 185 B12R1.37 [13CH3]OCCCNCc1cccs1 34a_100015187169_200025704644 [0,0,1,0,0,0|3,0,0]=4 186 B12R1.320 CCCCc1ccsc1CNC 271570a_100020621405_100000767120 [0,0,1,0,0,0|3,0,0]=4 187 B12R1.320 CCCCc1ccsc1SCC 62a_100000210202_100010071534 [0,0,1,0,0,0|3,0,0]=4 188 B12R1.320 CCCCc1ccsc1SCC 62a_100010071534_100000210202 [0,0,1,0,0,0|3,0,0]=4 189 B12R1.320 CCCCc1ccsc1SCF 62a_100010071534_100015361967 [0,0,1,0,0,0|3,0,0]=4 190 B12R1.320 CCCCc1ccsc1SCF 62a_100015361967_100010071534 [0,0,1,0,0,0|3,0,0]=4 191 B12R2.144 CCNC1CCc2c1ccs2 269862a_100015525214_100000011361 [0,0,0,0,1,0|2,0,0]=3 192 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [0,0,0,0,0,1|1,0,0]=2 193 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [0,0,0,0,0,1|1,0,0]=2 194 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [0,0,0,0,0,1|1,0,0]=2 195 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [0,0,0,0,0,1|1,0,0]=2 196 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [1,0,1,0,0,0|1,0,0]=3 197 B11R1.4 C#CCCOCc1cccs1 34a_100000211240_100000688953 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.4 C#CCOCCc1cccs1 34a_100000210247_100000748579 [1,0,1,0,0,0|0,0,2]=4 199 B11R1.4 C#CCOCCc1cccs1 34a_100011216825_100000184674 [1,0,1,0,0,0|0,0,2]=4 200 B11R1.4 C#CCOCCc1cccs1 7a_100011216825_100000038162 [1,0,1,0,0,0|0,0,2]=4 201 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [1,0,1,0,0,0|1,0,1]=4 202 B11R1.4 C=CCCOCc1cccs1 34a_100000211240_100000754431 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.4 C=CCOCCc1cccs1 34a_100011216825_100015514636 [1,0,1,0,0,0|0,0,2]=4 204 B11R1.4 C=CCOCCc1cccs1 34a_200000210373_100000748579 [1,0,1,0,0,0|0,0,2]=4 205 B11R1.4 C=CCOCCc1cccs1 7a_100011216825_100015514636 [1,0,1,0,0,0|0,0,2]=4 206 B11R1.4 CC#CCOCc1cccs1 34a_100000211240_100000748600 [1,0,1,0,0,0|1,0,1]=4 207 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [1,0,1,0,0,0|1,0,1]=4 208 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,1,0,0,0|1,1,0]=4 214 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [1,0,1,0,0,0|1,0,0]=3 215 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [1,0,1,0,0,0|2,0,0]=4 217 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,1,0,0,0|1,1,0]=4 220 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,1,0,0,0|1,1,0]=4 221 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,0,1,0,0,0|1,0,0]=3 222 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,0,1,0,0,0|1,0,0]=3 223 B11R1.4 CCCNCCc1cncs1 2230a_100016991637_100000210303 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.4 CCCNCCc1nccs1 2230a_100015186391_100000210303 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,1,0,0,0|0,0,0]=2 226 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,1,0,0,0|0,0,0]=2 227 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,1,0,0,0|0,0,0]=2 228 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [1,0,1,0,0,0|2,0,0]=4 229 B11R1.4 CCCOCCc1ncc[nH]1 34a_103549771195_100000210303 [1,0,1,0,0,0|2,0,0]=4 230 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.4 CCCOCCn1cccn1 34a_100000210258_100015204718 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.4 CCCOCCn1cccn1 34a_100000743371_100000210303 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,0,1,0,0,0|0,1,0]=3 234 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,0,1,0,0,0|0,1,0]=3 235 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,0,1,0,0,0|2,0,0]=4 236 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [1,0,1,0,0,0|0,2,0]=4 242 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [1,0,1,0,0,0|0,2,0]=4 243 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [1,0,1,0,0,0|2,0,0]=4 244 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [1,0,1,0,0,0|2,0,0]=4 245 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [1,0,1,0,0,0|2,0,0]=4 246 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [1,0,1,0,0,0|2,0,0]=4 247 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [1,0,1,0,0,0|1,1,0]=4 249 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [1,0,1,0,0,0|1,0,0]=3 250 B11R1.4 COCCOCc1cncs1 34a_100000210237_100015185245 [1,0,1,0,0,0|2,0,0]=4 251 B11R1.4 COCCOCc1nccs1 34a_100000210237_100015184050 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [1,0,1,0,0,0|2,0,0]=4 253 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [1,0,1,0,0,0|1,1,0]=4 254 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [1,0,1,0,0,0|1,1,0]=4 255 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [1,0,1,0,0,0|2,0,0]=4 256 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [1,0,1,0,0,0|2,0,0]=4 257 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [1,0,1,0,0,0|2,0,0]=4 258 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [1,0,1,0,0,0|1,1,0]=4 259 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [1,0,1,0,0,0|1,0,0]=3 260 B11R1.4 CSCCOCc1cncs1 34a_100000230434_100015185245 [1,0,1,0,0,0|2,0,0]=4 261 B11R1.4 CSCCOCc1cncs1 7a_100000230434_100015185245 [1,0,1,0,0,0|2,0,0]=4 262 B11R1.4 CSCCOCc1nccs1 34a_100000230434_100015184050 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.4 CSCCOCc1nccs1 7a_100000230434_100015184050 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [1,0,1,0,0,0|1,0,0]=3 267 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [1,0,1,0,0,0|1,1,0]=4 268 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [1,0,1,0,0,0|1,1,0]=4 269 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [1,0,1,0,0,0|2,0,0]=4 270 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [1,0,1,0,0,0|2,0,0]=4 271 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [1,0,1,0,0,0|2,0,0]=4 272 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [1,0,1,0,0,0|2,0,0]=4 273 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [1,0,1,0,0,0|1,0,0]=3 274 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [1,0,1,0,0,0|1,0,0]=3 275 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [1,0,1,0,0,0|1,1,0]=4 276 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [1,0,1,0,0,0|1,1,0]=4 277 B11R1.4 N#CCOCCc1cccs1 7a_100011216825_100011215382 [1,0,1,0,0,0|0,0,2]=4 278 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [1,0,1,0,0,0|0,0,0]=2 279 B11R1.4 NCCOCCn1cccn1 34a_100000210304_100015204718 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [1,0,1,0,0,0|1,0,1]=4 281 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [1,0,1,0,0,0|1,0,1]=4 282 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [1,0,1,0,0,0|2,0,0]=4 283 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [1,0,1,0,0,0|2,0,0]=4 284 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [1,0,1,0,0,0|2,0,0]=4 285 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [1,0,1,0,0,0|2,0,0]=4 286 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [1,0,1,0,0,0|2,0,0]=4 287 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [1,0,1,0,0,0|1,0,0]=3 288 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [1,0,1,0,0,0|1,0,0]=3 289 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [1,0,1,0,0,0|1,1,0]=4 290 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [1,0,1,0,0,0|1,1,0]=4 291 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [1,0,1,0,0,0|0,2,0]=4 292 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [1,0,1,0,0,0|0,2,0]=4 293 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [1,0,1,0,0,0|2,0,0]=4 294 B11R1.2 CCOC(CN)c1ccsc1 34a_100000758718_100000210202 [1,0,1,0,0,0|0,0,0]=2 295 B11R1.2 NCC(OCF)c1ccsc1 34a_100000758718_100015361967 [1,0,1,0,0,0|1,0,0]=3 296 B11R1.18 CCCCc1ccsc1CO 271570a_100020621405_100000702026 [1,0,1,0,0,0|1,0,0]=3 297 B11R1.18 CCCCc1ccsc1SC 271570a_100020621405_200010341309 [1,0,1,0,0,0|2,0,0]=4 298 B11R1.18 CCCCc1ccsc1SC 62a_100010071534_200000210301 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.18 CCCCc1ccsc1SC 62a_200000210301_100010071534 [1,0,1,0,0,0|2,0,0]=4 300 B11R1.18 CCCCc1ccsc1S[13CH3] 62a_100010071534_200025704644 [1,0,1,0,0,0|2,0,0]=4 301 B11R1.18 CCCCc1ccsc1S[13CH3] 62a_200025704644_100010071534 [1,0,1,0,0,0|2,0,0]=4 302 B11R1.18 CCCCc1ncsc1CO 271570a_100020621405_100012000948 [1,0,1,0,0,0|2,0,0]=4 303 B11R1.18 CCCSc1ccsc1CO 62a_100000210303_100000702026 [1,0,1,0,0,0|2,0,0]=4 304 B11R1.18 CCCSc1ccsc1CO 62a_100000702026_100000210303 [1,0,1,0,0,0|2,0,0]=4 305 B11R1.18 CCc1nccn1CCNC 2230a_106832991635_100015185934 [1,0,1,0,0,0|2,0,0]=4 306 B11R1.18 CCc1nccn1CCNC 34a_100102657272_100015185934 [1,0,1,0,0,0|2,0,0]=4 307 B11R1.18 CCc1nccn1CCNC 7a_106832991635_100015185934 [1,0,1,0,0,0|2,0,0]=4 308 B11R1.18 COCSc1ccsc1CO 62a_100000702026_100000766300 [1,0,1,0,0,0|2,0,0]=4 309 B11R1.18 COCSc1ccsc1CO 62a_100000766300_100000702026 [1,0,1,0,0,0|2,0,0]=4 310 B11R1.18 CSCSc1ccsc1CO 62a_100000702026_100011218213 [1,0,1,0,0,0|2,0,0]=4 311 B11R1.18 CSCSc1ccsc1CO 62a_100011218213_100000702026 [1,0,1,0,0,0|2,0,0]=4 312 B11R1.109 CCSc1sccc1CNC 62a_100000210202_100009817074 [1,0,1,0,0,0|2,0,0]=4 313 B11R1.109 CCSc1sccc1CNC 62a_100009817074_100000210202 [1,0,1,0,0,0|2,0,0]=4 314 B11R1.109 CNCc1ccsc1SCF 62a_100009817074_100015361967 [1,0,1,0,0,0|2,0,0]=4 315 B11R1.109 CNCc1ccsc1SCF 62a_100015361967_100009817074 [1,0,1,0,0,0|2,0,0]=4 316 B13R1.27 CCCCNCCc1ccc(s1)Br 2230a_100000217605_100000210211 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.27 CCCCOCCc1ccc(o1)C 34a_100012161071_100000210210 [0,1,1,0,0,0|1,1,0]=4 318 B13R1.27 CCCCOCCc1ccc(o1)C 7a_100012161071_100000210211 [0,1,1,0,0,0|1,1,0]=4 319 B13R1.27 CCCCOCCc1cnc(s1)N 7a_100000124125_100000210211 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.27 CCCCOCSc1cc(cs1)C 62a_100009876951_100011995733 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.27 CCCCOCSc1cc(cs1)C 62a_100011995733_100009876951 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.27 CCCCOCSc1ccc(s1)Br 62a_100010197418_100011995733 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.27 CCCCOCSc1ccc(s1)Br 62a_100011995733_100010197418 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.27 CCCCOCSc1ccc(s1)C 62a_100000031368_100011995733 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.27 CCCCOCSc1ccc(s1)C 62a_100011995733_100000031368 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.27 CNCCCOCc1cc(cs1)Br 34a_100000213112_100000746031 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.27 CNCCCOCc1ccc(s1)Br 34a_100000213112_100000708592 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.27 CNCCCOCc1ccc(s1)Cl 34a_100000213112_100000185097 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.27 COCCNCCc1ccc(s1)Br 2230a_100000217605_100011201679 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.27 COCCOCCc1ccc(o1)C 34a_100012161071_100011201679 [0,1,1,0,0,0|1,1,0]=4 331 B13R1.27 COCCOCCc1ccc(o1)C 7a_100012161071_100000233755 [0,1,1,0,0,0|1,1,0]=4 332 B13R1.27 COCCOCCc1cnc(s1)N 7a_100000124125_100000233755 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.27 COCCOCSc1cc(cs1)C 62a_100000231047_100009876951 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.27 COCCOCSc1cc(cs1)C 62a_100009876951_100000231047 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.27 COCCOCSc1ccc(s1)Br 62a_100000231047_100010197418 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.27 COCCOCSc1ccc(s1)Br 62a_100010197418_100000231047 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.27 COCCOCSc1ccc(s1)C 62a_100000031368_100000231047 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.27 COCCOCSc1ccc(s1)C 62a_100000231047_100000031368 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.27 CSCCNCCc1ccc(s1)Br 2230a_100000217605_100000751147 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.27 CSCCOCCc1ccc(o1)C 34a_100012161071_100000212216 [0,1,1,0,0,0|1,1,0]=4 341 B13R1.27 CSCCOCCc1ccc(o1)C 7a_100012161071_100000212216 [0,1,1,0,0,0|1,1,0]=4 342 B13R1.27 CSCCOCCc1cnc(s1)N 7a_100000124125_100000212216 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.48 C#CCCOCC(N)c1cccs1 34a_100102422791_100000688953 [0,1,1,0,0,0|1,0,1]=4 344 B13R1.48 C/C=C/COCC(N)c1cccs1 34a_100102422791_100102629194 [0,1,1,0,0,0|1,0,1]=4 345 B13R1.48 C=CCCOCC(N)c1cccs1 34a_100102422791_100000754431 [0,1,1,0,0,0|1,0,1]=4 346 B13R1.48 CC#CCOCC(N)c1cccs1 34a_100102422791_100000748600 [0,1,1,0,0,0|1,0,1]=4 347 B13R1.48 CC=CCOCC(N)c1cccs1 34a_100102422791_100000070051 [0,1,1,0,0,0|1,0,1]=4 348 B13R1.48 CCCCOCC(=O)c1cccs1 7a_100000210227_100000211436 [0,1,1,0,0,0|1,0,1]=4 349 B13R1.48 CCCCOCC(N)c1cccs1 34a_100102422791_100000210210 [0,1,1,0,0,0|1,0,0]=3 350 B13R1.48 COCCOCC(N)c1cccs1 34a_100102422791_100011201679 [0,1,1,0,0,0|1,0,0]=3 351 B13R1.48 CSCCOCC(=O)c1cccs1 7a_100000230434_100000211436 [0,1,1,0,0,0|1,0,1]=4 352 B13R1.48 CSCCOCC(N)c1cccs1 34a_100102422791_100000212216 [0,1,1,0,0,0|1,0,0]=3 353 B13R1.48 NC(COCCCF)c1cccs1 34a_100102422791_100011934791 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.48 NC(COCCCO)c1cccs1 34a_100102422791_100000230001 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.119 BrCCCCOCCc1cccs1 34a_100011216708_100000748579 [0,1,1,0,0,0|1,0,0]=3 356 B13R1.119 BrCCCOCCCc1cccs1 34a_100011217188_100010992444 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.119 C#CCCCOCCc1cccs1 34a_100000215630_100000748579 [0,1,1,0,0,0|1,0,1]=4 358 B13R1.119 C#CCCCOCCc1cccs1 34a_100011216825_100000695029 [0,1,1,0,0,0|1,0,1]=4 359 B13R1.119 C#CCCCOCCc1cccs1 7a_100000215630_100000748579 [0,1,1,0,0,0|1,0,1]=4 360 B13R1.119 C#CCCCOCCc1cccs1 7a_100011216825_100011215417 [0,1,1,0,0,0|1,0,1]=4 361 B13R1.119 C#CCCOCCCc1cccs1 34a_100011215631_100010992444 [0,1,1,0,0,0|1,0,1]=4 362 B13R1.119 C#CCCOCCCc1cccs1 34a_100011713143_100000688953 [0,1,1,0,0,0|1,0,1]=4 363 B13R1.119 C#CCCOCCCc1cccs1 7a_100011713143_100000688953 [0,1,1,0,0,0|1,0,1]=4 364 B13R1.119 C/C=C/CCOCCc1cccs1 34a_100016278192_100000748579 [0,1,1,0,0,0|1,0,0]=3 365 B13R1.119 C/C=C/COCCCc1cccs1 34a_100011713143_100102629194 [0,1,1,0,0,0|1,0,1]=4 366 B13R1.119 C/C=C/COCCCc1cccs1 34a_100016270725_100010992444 [0,1,1,0,0,0|1,0,1]=4 367 B13R1.119 C/C=C/COCCCc1cccs1 7a_100011713143_100102629194 [0,1,1,0,0,0|1,0,1]=4 368 B13R1.119 C=CCCCOCCc1cccs1 34a_100000758997_100000748579 [0,1,1,0,0,0|1,0,1]=4 369 B13R1.119 C=CCCCOCCc1cccs1 34a_100011216825_100000757094 [0,1,1,0,0,0|1,0,1]=4 370 B13R1.119 C=CCCCOCCc1cccs1 7a_100000758997_100000748579 [0,1,1,0,0,0|1,0,1]=4 371 B13R1.119 C=CCCCOCCc1cccs1 7a_100011216825_100000757094 [0,1,1,0,0,0|1,0,1]=4 372 B13R1.119 C=CCCOCCCc1cccs1 34a_100011205117_100010992444 [0,1,1,0,0,0|1,0,1]=4 373 B13R1.119 C=CCCOCCCc1cccs1 34a_100011713143_100000754431 [0,1,1,0,0,0|1,0,1]=4 374 B13R1.119 C=CCCOCCCc1cccs1 7a_100011713143_100000754431 [0,1,1,0,0,0|1,0,1]=4 375 B13R1.119 C=COCCOCCc1cccs1 34a_100000033082_100000748579 [0,1,1,0,0,0|1,0,1]=4 376 B13R1.119 C=COCCOCCc1cccs1 34a_100011216825_100000039644 [0,1,1,0,0,0|1,0,1]=4 377 B13R1.119 C=COCCOCCc1cccs1 7a_100011216825_100000039644 [0,1,1,0,0,0|1,0,1]=4 378 B13R1.119 CC#CCCOCCc1cccs1 34a_100000750427_100000748579 [0,1,1,0,0,0|1,0,0]=3 379 B13R1.119 CC#CCOCCCc1cccs1 34a_100000761923_100010992444 [0,1,1,0,0,0|1,0,1]=4 380 B13R1.119 CC#CCOCCCc1cccs1 34a_100011713143_100000748600 [0,1,1,0,0,0|1,0,1]=4 381 B13R1.119 CC#CCOCCCc1cccs1 7a_100011713143_100000748600 [0,1,1,0,0,0|1,0,1]=4 382 B13R1.119 CC/C=C\COCCc1cccs1 34a_100011216825_100103147603 [0,1,1,0,0,0|1,0,1]=4 383 B13R1.119 CC/C=C\COCCc1cccs1 34a_100016268518_100000748579 [0,1,1,0,0,0|1,0,1]=4 384 B13R1.119 CC/C=C\COCCc1cccs1 7a_100011216825_100103147603 [0,1,1,0,0,0|1,0,1]=4 385 B13R1.119 CC=CCOCCCc1cccs1 34a_100011713143_100000070051 [0,1,1,0,0,0|1,0,1]=4 386 B13R1.119 CC=CCOCCCc1cccs1 7a_100011713143_100000070051 [0,1,1,0,0,0|1,0,1]=4 387 B13R1.119 CCC#CCOCCc1cccs1 34a_100000032950_100000748579 [0,1,1,0,0,0|1,0,1]=4 388 B13R1.119 CCC#CCOCCc1cccs1 34a_100011216825_100009813939 [0,1,1,0,0,0|1,0,1]=4 389 B13R1.119 CCC#CCOCCc1cccs1 7a_100011216825_100009813939 [0,1,1,0,0,0|1,0,1]=4 390 B13R1.119 CCCCCCCSc1cccs1 62a_100000210614_100011215356 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.119 CCCCCCCSc1cccs1 62a_100011215356_100000210316 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.119 CCCCCCNCc1cccs1 207a_100000210581_100000209959 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.119 CCCCCCNCc1cccs1 2230a_100000211653_100000210314 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.119 CCCCCCNCc1cccs1 270004a_100000210581_100000209959 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.119 CCCCCCOCc1cccs1 34a_100000211240_100000210314 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.119 CCCCCNCCc1cccs1 2230a_100000203755_100000210326 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.119 CCCCCNCCc1cccs1 2230a_100000209983_100000748579 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.119 CCCCCNCCc1cccs1 34a_100000203755_100000718602 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.119 CCCCCOCCc1cccs1 34a_100000210253_100000748579 [0,1,1,0,0,0|1,0,0]=3 400 B13R1.119 CCCCCOCCc1cccs1 34a_100011216825_100000718602 [0,1,1,0,0,0|1,0,0]=3 401 B13R1.119 CCCCCOCCc1cccs1 7a_100000210253_100000748579 [0,1,1,0,0,0|1,0,0]=3 402 B13R1.119 CCCCCOCCc1cccs1 7a_100011216825_100000210326 [0,1,1,0,0,0|1,0,0]=3 403 B13R1.119 CCCCCSCCc1cccs1 62a_100000210326_100000748579 [0,1,1,0,0,0|1,1,0]=4 404 B13R1.119 CCCCCSCCc1cccs1 62a_100000748579_100000210326 [0,1,1,0,0,0|1,1,0]=4 405 B13R1.119 CCCCNCCCc1cccs1 2230a_100000102301_100010992444 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.119 CCCCNCCCc1cccs1 7a_106832991798_100010992444 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.119 CCCCOCCCc1cccs1 34a_100000210227_100010992444 [0,1,1,0,0,0|1,0,0]=3 408 B13R1.119 CCCCOCCCc1cccs1 34a_100011713143_100000210210 [0,1,1,0,0,0|1,0,0]=3 409 B13R1.119 CCCCOCCCc1cccs1 7a_100000210227_100010992444 [0,1,1,0,0,0|1,0,0]=3 410 B13R1.119 CCCCOCCCc1cccs1 7a_100011713143_100000210211 [0,1,1,0,0,0|1,0,0]=3 411 B13R1.119 CCCCOCCSc1ccco1 62a_100000743108_100009814098 [0,1,1,0,0,0|1,1,0]=4 412 B13R1.119 CCCCOCCSc1ccco1 62a_100009814098_100000743108 [0,1,1,0,0,0|1,1,0]=4 413 B13R1.119 CCCCOCCSc1cccs1 62a_100000743108_100011215356 [0,1,1,0,0,0|1,0,0]=3 414 B13R1.119 CCCCOCCSc1cccs1 62a_100011215356_100000743108 [0,1,1,0,0,0|1,0,0]=3 415 B13R1.119 CCCCOCCSc1cncs1 62a_100000743108_100011934649 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.119 CCCCOCCSc1cncs1 62a_100011934649_100000743108 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.119 CCCCOCCSc1nccs1 62a_100000211983_100000743108 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.119 CCCCOCCSc1nccs1 62a_100000743108_100000211983 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.119 CCCCOCNCc1ccco1 2230a_100000185738_100011995733 [0,1,1,0,0,0|1,1,0]=4 420 B13R1.119 CCCCOCNCc1ccco1 34a_100000185738_100011995733 [0,1,1,0,0,0|1,1,0]=4 421 B13R1.119 CCCCOCNCc1cccs1 2230a_100000211653_100011995733 [0,1,1,0,0,0|1,0,0]=3 422 B13R1.119 CCCCOCNCc1cncs1 2230a_100016987365_100011995733 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.119 CCCCOCNCc1nccs1 2230a_100000740555_100011995733 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.119 CCCCOCOCc1ccco1 34a_100000210059_100011995733 [0,1,1,0,0,0|1,1,0]=4 425 B13R1.119 CCCCOCOCc1cccs1 34a_100000211240_100011995733 [0,1,1,0,0,0|1,0,0]=3 426 B13R1.119 CCCCOCSCc1cncs1 62a_100011995733_100015185245 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.119 CCCCOCSCc1cncs1 62a_100015185245_100011995733 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.119 CCCCOCSCc1nccs1 62a_100011995733_100015184050 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.119 CCCCOCSCc1nccs1 62a_100015184050_100011995733 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.119 CCCCSCCCc1cccs1 62a_100000210211_100010992444 [0,1,1,0,0,0|1,1,0]=4 431 B13R1.119 CCCCSCCCc1cccs1 62a_100010992444_100000210210 [0,1,1,0,0,0|1,1,0]=4 432 B13R1.119 CCOCCNCCc1cccs1 2230a_100000203755_100011215890 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.119 CCOCCNCCc1cccs1 2230a_102516460346_100000748579 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.119 CCOCCNCCc1cccs1 34a_100000203755_100000210147 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.119 CCOCCNCCc1cccs1 34a_102516460346_100000748579 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.119 CCOCCOCCc1cccs1 34a_100000210136_100000748579 [0,1,1,0,0,0|1,0,0]=3 437 B13R1.119 CCOCCOCCc1cccs1 34a_100011216825_100000210147 [0,1,1,0,0,0|1,0,0]=3 438 B13R1.119 CCOCCOCCc1cccs1 7a_100000210136_100000748579 [0,1,1,0,0,0|1,0,0]=3 439 B13R1.119 CCOCCOCCc1cccs1 7a_100011216825_100011215890 [0,1,1,0,0,0|1,0,0]=3 440 B13R1.119 CCOCCSCCc1cccs1 62a_100000210147_100000748579 [0,1,1,0,0,0|1,1,0]=4 441 B13R1.119 CCOCCSCCc1cccs1 62a_100000748579_100011215890 [0,1,1,0,0,0|1,1,0]=4 442 B13R1.119 CCSCCNCCc1cccs1 2230a_100000106463_100000748579 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.119 CCSCCNCCc1cccs1 2230a_100000203755_100000757381 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.119 CCSCCNCCc1cccs1 34a_100000203755_100000757381 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.119 CCSCCOCCc1cccs1 34a_100000212035_100000748579 [0,1,1,0,0,0|1,0,0]=3 446 B13R1.119 CCSCCOCCc1cccs1 34a_100011216825_100000757381 [0,1,1,0,0,0|1,0,0]=3 447 B13R1.119 CCSCCOCCc1cccs1 7a_100000212035_100000748579 [0,1,1,0,0,0|1,0,0]=3 448 B13R1.119 CCSCCOCCc1cccs1 7a_100011216825_100000757381 [0,1,1,0,0,0|1,0,0]=3 449 B13R1.119 CCSCCSCCc1cccs1 62a_100000748579_100000757381 [0,1,1,0,0,0|1,1,0]=4 450 B13R1.119 CCSCCSCCc1cccs1 62a_100000757381_100000748579 [0,1,1,0,0,0|1,1,0]=4 451 B13R1.119 CNCCCOCCc1cccs1 34a_100000213112_100000748579 [0,1,1,0,0,0|0,0,0]=2 452 B13R1.119 CNCCCOCCn1cccn1 34a_100000213112_100015204718 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.119 COCCCCNCc1cccs1 2230a_100000211653_100000730899 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.119 COCCCCOCc1cccs1 34a_100000211240_100000755781 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.119 COCCCNCCc1cccs1 2230a_100000203755_100000740836 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.119 COCCCNCCc1cccs1 34a_100000203755_100000740836 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.119 COCCCNCCc1cccs1 34a_100150723488_100000748579 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.119 COCCCOCCc1cccs1 34a_100000740835_100000748579 [0,1,1,0,0,0|1,0,0]=3 459 B13R1.119 COCCCOCCc1cccs1 34a_100011216825_100000740836 [0,1,1,0,0,0|1,0,0]=3 460 B13R1.119 COCCCOCCc1cccs1 7a_100011216825_100000740836 [0,1,1,0,0,0|1,0,0]=3 461 B13R1.119 COCCCSCCc1cccs1 62a_100000709357_100000748579 [0,1,1,0,0,0|1,1,0]=4 462 B13R1.119 COCCCSCCc1cccs1 62a_100000748579_100000709357 [0,1,1,0,0,0|1,1,0]=4 463 B13R1.119 COCCNCCCc1cccs1 2230a_100000209980_100010992444 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.119 COCCOCCCc1cccs1 34a_100000210237_100010992444 [0,1,1,0,0,0|1,0,0]=3 465 B13R1.119 COCCOCCCc1cccs1 34a_100011713143_100011201679 [0,1,1,0,0,0|1,0,0]=3 466 B13R1.119 COCCOCCCc1cccs1 7a_100011713143_100000233755 [0,1,1,0,0,0|1,0,0]=3 467 B13R1.119 COCCOCCSc1ccco1 62a_100000695917_100009814098 [0,1,1,0,0,0|1,1,0]=4 468 B13R1.119 COCCOCCSc1ccco1 62a_100009814098_100000695917 [0,1,1,0,0,0|1,1,0]=4 469 B13R1.119 COCCOCCSc1cccs1 62a_100000695917_100011215356 [0,1,1,0,0,0|1,0,0]=3 470 B13R1.119 COCCOCCSc1cccs1 62a_100011215356_100000695917 [0,1,1,0,0,0|1,0,0]=3 471 B13R1.119 COCCOCCSc1cncs1 62a_100000695917_100011934649 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.119 COCCOCCSc1cncs1 62a_100011934649_100000695917 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.119 COCCOCCSc1nccs1 62a_100000211983_100000695917 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.119 COCCOCCSc1nccs1 62a_100000695917_100000211983 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.119 COCCOCNCc1ccco1 2230a_100000185738_100000231047 [0,1,1,0,0,0|1,1,0]=4 476 B13R1.119 COCCOCNCc1cccs1 2230a_100000211653_100000231047 [0,1,1,0,0,0|1,0,0]=3 477 B13R1.119 COCCOCNCc1cncs1 2230a_100016987365_100000231047 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.119 COCCOCNCc1nccs1 2230a_100000740555_100000231047 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.119 COCCOCSCc1cncs1 62a_100000231047_100015185245 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.119 COCCOCSCc1cncs1 62a_100015185245_100000231047 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.119 COCCOCSCc1nccs1 62a_100000231047_100015184050 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.119 COCCOCSCc1nccs1 62a_100015184050_100000231047 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.119 COCCSCCCc1cccs1 62a_100000233755_100010992444 [0,1,1,0,0,0|1,1,0]=4 484 B13R1.119 COCCSCCCc1cccs1 62a_100010992444_100000233755 [0,1,1,0,0,0|1,1,0]=4 485 B13R1.119 CSCCCNCCc1cccs1 2230a_100000749238_100000748579 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.119 CSCCCOCCc1cccs1 34a_100000690336_100000748579 [0,1,1,0,0,0|1,0,0]=3 487 B13R1.119 CSCCCOCCc1cccs1 7a_100000690336_100000748579 [0,1,1,0,0,0|1,0,0]=3 488 B13R1.119 CSCCNCCCc1cccs1 2230a_100020590264_100010992444 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.119 CSCCOCCCc1cccs1 34a_100000230434_100010992444 [0,1,1,0,0,0|1,0,0]=3 490 B13R1.119 CSCCOCCCc1cccs1 34a_100011713143_100000212216 [0,1,1,0,0,0|1,0,0]=3 491 B13R1.119 CSCCOCCCc1cccs1 7a_100000230434_100010992444 [0,1,1,0,0,0|1,0,0]=3 492 B13R1.119 CSCCOCCCc1cccs1 7a_100011713143_100000212216 [0,1,1,0,0,0|1,0,0]=3 493 B13R1.119 CSCCSCCCc1cccs1 62a_100000212216_100010992444 [0,1,1,0,0,0|1,1,0]=4 494 B13R1.119 CSCCSCCCc1cccs1 62a_100010992444_100000751147 [0,1,1,0,0,0|1,1,0]=4 495 B13R1.119 ClCC#CCOCCc1cccs1 34a_200000047223_100000748579 [0,1,1,0,0,0|1,0,1]=4 496 B13R1.119 ClCCCCOCCc1cccs1 34a_100000210776_100000748579 [0,1,1,0,0,0|1,0,0]=3 497 B13R1.119 ClCCCCOCCc1cccs1 7a_100000210776_100000748579 [0,1,1,0,0,0|1,0,0]=3 498 B13R1.119 ClCCCOCCCc1cccs1 34a_100000230001_100010992444 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.119 FCCCCNCCc1cccs1 2230a_100000203755_100000729493 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.119 FCCCCNCCc1cccs1 34a_100000203755_100000729493 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.119 FCCCCOCCc1cccs1 34a_100011216825_100000729493 [0,1,1,0,0,0|1,0,0]=3 502 B13R1.119 FCCCCOCCc1cccs1 34a_100011995726_100000748579 [0,1,1,0,0,0|1,0,0]=3 503 B13R1.119 FCCCCOCCc1cccs1 7a_100011216825_100000729493 [0,1,1,0,0,0|1,0,0]=3 504 B13R1.119 FCCCCOCCc1cccs1 7a_100011995726_100000748579 [0,1,1,0,0,0|1,0,0]=3 505 B13R1.119 FCCCCSCCc1cccs1 62a_100000729493_100000748579 [0,1,1,0,0,0|1,1,0]=4 506 B13R1.119 FCCCCSCCc1cccs1 62a_100000748579_100000729493 [0,1,1,0,0,0|1,1,0]=4 507 B13R1.119 FCCCOCCCc1cccs1 34a_100000759539_100010992444 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.119 FCCCOCCCc1cccs1 34a_100011713143_100011934791 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.119 FCCCOCCCc1cccs1 7a_100011713143_100011934791 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.119 ICCCCOCCc1cccs1 34a_200012148704_100000748579 [0,1,1,0,0,0|1,0,0]=3 511 B13R1.119 N#CCCCOCCc1cccs1 7a_100011216825_100000687738 [0,1,1,0,0,0|1,0,1]=4 512 B13R1.119 N#CCCOCCCc1cccs1 7a_100011713143_100000184422 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.119 NCCCCOCCc1cccs1 34a_100000750430_100000748579 [0,1,1,0,0,0|1,0,0]=3 514 B13R1.119 NCCCOCCCc1cccs1 34a_100000182051_100010992444 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.119 NOCCOCCCc1cccs1 34a_100000700252_100010992444 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.119 O=CCCCOCCc1cccs1 7a_100011216825_200011292268 [0,1,1,0,0,0|1,0,1]=4 517 B13R1.119 OCC#CCOCCc1cccs1 34a_100011216825_200000047223 [0,1,1,0,0,0|1,0,1]=4 518 B13R1.119 OCC#CCOCCc1cccs1 7a_100011216825_200000047223 [0,1,1,0,0,0|1,0,1]=4 519 B13R1.119 OCCCCNCCc1cccs1 2230a_100000203755_100000210776 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.119 OCCCCNCCc1cccs1 2230a_100000750430_100000748579 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.119 OCCCCNCCc1cccs1 34a_100000203755_100011216708 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.119 OCCCCNCCc1cccs1 34a_100000750430_100000748579 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.119 OCCCCOCCc1cccs1 34a_100011216825_100011216708 [0,1,1,0,0,0|1,0,0]=3 524 B13R1.119 OCCCCOCCc1cccs1 7a_100011216825_100000210776 [0,1,1,0,0,0|1,0,0]=3 525 B13R1.119 OCCCCSCCc1cccs1 62a_100000210776_100000748579 [0,1,1,0,0,0|1,1,0]=4 526 B13R1.119 OCCCCSCCc1cccs1 62a_100000748579_100000210776 [0,1,1,0,0,0|1,1,0]=4 527 B13R1.119 OCCCOCCCc1cccs1 34a_100011713143_100000230001 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.119 OCCCOCCCc1cccs1 7a_100011713143_100011215043 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000185280_100000210211 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000210183_100000748579 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.153 CCCCN(C)CCc1cccs1 2230a_100000207549_100000748579 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.153 CCCCN(C)CCc1cccs1 269982a_100000207549_100000748579 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000185280_100000233755 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000749529_100000748579 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.153 COCCN(C)CCc1cccs1 2230a_100000743101_100000748579 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.153 COCCN(C)CCc1cccs1 269982a_100000743101_100000748579 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000174002_100000748579 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000185280_100000751147 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.153 CSCCN(C)CCc1cccs1 2230a_100000686725_100000748579 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.153 CSCCN(C)CCc1cccs1 269982a_100000686725_100000748579 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.156 CCCCNC(C)Cc1cccs1 2230a_100000751415_100000210211 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.156 CCCCOC(C)Cc1ccco1 34a_100011803939_100000210210 [0,1,1,0,0,0|1,1,0]=4 543 B13R1.156 CCCCOC(C)Cc1ccco1 7a_100011803939_100000210211 [0,1,1,0,0,0|1,1,0]=4 544 B13R1.156 COCCNC(C)Cc1cccs1 2230a_100000751415_100011201679 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.156 COCCOC(C)Cc1ccco1 34a_100011803939_100011201679 [0,1,1,0,0,0|1,1,0]=4 546 B13R1.156 COCCOC(C)Cc1ccco1 7a_100011803939_100000233755 [0,1,1,0,0,0|1,1,0]=4 547 B13R1.156 CSCCNC(C)Cc1cccs1 2230a_100000751415_100000751147 [0,1,1,0,0,0|2,0,0]=4 548 B13R1.156 CSCCOC(C)Cc1ccco1 34a_100011803939_100000212216 [0,1,1,0,0,0|1,1,0]=4 549 B13R1.156 CSCCOC(C)Cc1ccco1 7a_100011803939_100000212216 [0,1,1,0,0,0|1,1,0]=4 550 B13R1.343 C=C(Br)CCOCCc1cccs1 34a_100009813270_100000748579 [0,1,1,0,0,0|1,0,1]=4 551 B13R1.343 C=C(C)CCNCCc1cccs1 2230a_100000203755_100000730704 [0,1,1,0,0,0|2,0,0]=4 552 B13R1.343 C=C(C)CCNCCc1cccs1 34a_100000203755_100000730704 [0,1,1,0,0,0|2,0,0]=4 553 B13R1.343 C=C(C)CCOCCc1cccs1 34a_100000764851_100000748579 [0,1,1,0,0,0|1,0,0]=3 554 B13R1.343 C=C(C)CCOCCc1cccs1 34a_100011216825_100000730704 [0,1,1,0,0,0|1,0,0]=3 555 B13R1.343 C=C(C)CCOCCc1cccs1 7a_100011216825_100000730704 [0,1,1,0,0,0|1,0,0]=3 556 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000730704_100000748579 [0,1,1,0,0,0|1,1,0]=4 557 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000748579_100000730704 [0,1,1,0,0,0|1,1,0]=4 558 B13R1.343 CC(=CCOCCc1cccs1)C 34a_100000753907_100000748579 [0,1,1,0,0,0|1,0,1]=4 559 B13R1.343 CC(=CCOCCc1cccs1)C 34a_100011216825_100000761012 [0,1,1,0,0,0|1,0,1]=4 560 B13R1.343 CC(=CCOCCc1cccs1)C 7a_100011216825_100000761012 [0,1,1,0,0,0|1,0,1]=4 561 B13R1.343 CC(=O)CCOCCc1cccs1 34a_100000759926_100000748579 [0,1,1,0,0,0|1,0,0]=3 562 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100000759926_100000748579 [0,1,1,0,0,0|1,0,0]=3 563 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100011216825_100000053229 [0,1,1,0,0,0|1,0,0]=3 564 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000053229_100000748579 [0,1,1,0,0,0|1,1,0]=4 565 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000748579_100000053229 [0,1,1,0,0,0|1,1,0]=4 566 B13R1.343 CC(=O)OCOCCc1cccs1 34a_100011216825_100009813279 [0,1,1,0,0,0|2,0,0]=4 567 B13R1.343 CC(Br)CCOCCc1cccs1 34a_100009893172_100000748579 [0,1,1,0,0,0|1,0,0]=3 568 B13R1.343 CC(C)CCNCCc1cccs1 2230a_100000203755_100000210312 [0,1,1,0,0,0|2,0,0]=4 569 B13R1.343 CC(C)CCNCCc1cccs1 269862a_100000203755_100000185833 [0,1,1,0,0,0|2,0,0]=4 570 B13R1.343 CC(C)CCNCCc1cccs1 34a_100000203755_100000210312 [0,1,1,0,0,0|2,0,0]=4 571 B13R1.343 CC(C)CCOCCc1cccs1 34a_100000210254_100000748579 [0,1,1,0,0,0|1,0,0]=3 572 B13R1.343 CC(C)CCOCCc1cccs1 34a_100011216825_100000210312 [0,1,1,0,0,0|1,0,0]=3 573 B13R1.343 CC(C)CCOCCc1cccs1 7a_100000210254_100000748579 [0,1,1,0,0,0|1,0,0]=3 574 B13R1.343 CC(C)CCOCCc1cccs1 7a_100011216825_100000210626 [0,1,1,0,0,0|1,0,0]=3 575 B13R1.343 CC(C)CCSCCc1cccs1 62a_100000210312_100000748579 [0,1,1,0,0,0|1,1,0]=4 576 B13R1.343 CC(C)CCSCCc1cccs1 62a_100000748579_100000210312 [0,1,1,0,0,0|1,1,0]=4 577 B13R1.343 CC(C)OCOCCc1cccs1 34a_100011216825_100000709892 [0,1,1,0,0,0|2,0,0]=4 578 B13R1.343 CC(O)CCNCCc1cccs1 2230a_100000203755_100012276601 [0,1,1,0,0,0|2,0,0]=4 579 B13R1.343 CC(O)CCNCCc1cccs1 2230a_200000755665_100000748579 [0,1,1,0,0,0|2,0,0]=4 580 B13R1.343 CC(O)CCNCCc1cccs1 34a_100000203755_100012276601 [0,1,1,0,0,0|2,0,0]=4 581 B13R1.343 CC(O)CCOCCc1cccs1 34a_100011216825_100012276601 [0,1,1,0,0,0|1,0,0]=3 582 B13R1.343 CC(O)CCOCCc1cccs1 7a_100011216825_100012276601 [0,1,1,0,0,0|1,0,0]=3 583 B13R1.343 CC(O)CCSCCc1cccs1 62a_100000748579_100012276601 [0,1,1,0,0,0|1,1,0]=4 584 B13R1.343 CC(O)CCSCCc1cccs1 62a_100012276601_100000748579 [0,1,1,0,0,0|1,1,0]=4 585 B13R1.343 CN(C)CCCCSc1cccs1 62a_100011215356_100000690147 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.343 CN(C)CCCNCc1cccs1 207a_102531767803_100000209959 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.343 CN(C)CCCNCc1cccs1 270004a_102531767803_100000209959 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.343 CN(C)CCOCCc1cccs1 7a_100011216825_100000755713 [0,1,1,0,0,0|0,0,0]=2 589 B13R1.343 CN(C)CCSCCc1cccs1 62a_100000748579_100000755713 [0,1,1,0,0,0|0,1,0]=3 590 B13R1.343 C[C@@H](N)CCOCCc1cccs1 34a_100000706166_100000748579 [0,1,1,0,0,0|1,0,0]=3 591 B13R1.343 FC(F)CCOCCc1cccs1 34a_100103093639_100000748579 [0,1,1,0,0,0|2,0,0]=4 592 B13R1.343 NC(=O)CCOCCc1cccs1 34a_100000757172_100000748579 [0,1,1,0,0,0|2,0,0]=4 593 B13R1.343 NC(=O)CCOCCc1cccs1 34a_100011216825_100000731001 [0,1,1,0,0,0|2,0,0]=4 594 B13R1.343 NC(=O)CCOCCc1cccs1 7a_100000757172_100000748579 [0,1,1,0,0,0|2,0,0]=4 595 B13R1.343 NC(=O)CCOCCc1cccs1 7a_100011216825_100000744528 [0,1,1,0,0,0|2,0,0]=4 596 B13R1.404 C#CCC(C)OCCc1cccs1 34a_100000685586_100000748579 [0,1,1,0,0,0|1,0,1]=4 597 B13R1.404 C#CCC(C)OCCc1cccs1 7a_100000685586_100000748579 [0,1,1,0,0,0|1,0,1]=4 598 B13R1.404 C/C=C/C(C)OCCc1cccs1 34a_200102604097_100000748579 [0,1,1,0,0,0|1,0,1]=4 599 B13R1.404 C=CC[C@@H](C)OCCc1cccs1 34a_100000731007_100000748579 [0,1,1,0,0,0|1,0,1]=4 600 B13R1.404 C=CC[C@@H](C)OCCc1cccs1 7a_100000731007_100000748579 [0,1,1,0,0,0|1,0,1]=4 601 B13R1.404 CC#CC(C)OCCc1cccs1 34a_100011216543_100000748579 [0,1,1,0,0,0|1,0,1]=4 602 B13R1.404 CC(CC#N)OCCc1cccs1 7a_100011216825_100009813641 [0,1,1,0,0,0|2,0,0]=4 603 B13R1.404 CC(CCBr)OCCc1cccs1 34a_100012276601_100000748579 [0,1,1,0,0,0|2,0,0]=4 604 B13R1.404 CC(CCO)OCCc1cccs1 34a_100011216825_100009893172 [0,1,1,0,0,0|2,0,0]=4 605 B13R1.404 CC(CCO)OCCc1cccs1 7a_100011216825_100009893172 [0,1,1,0,0,0|2,0,0]=4 606 B13R1.404 CCCC(C)NCCc1cccs1 2230a_100000203755_100000766640 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.404 CCCC(C)NCCc1cccs1 2230a_100000741246_100000748579 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.404 CCCC(C)NCCc1cccs1 270004a_100000203755_100000211909 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.404 CCCC(C)NCCc1cccs1 34a_100000203755_100000766640 [0,1,1,0,0,0|2,0,0]=4 610 B13R1.404 CCCC(C)OCCc1cccs1 34a_100000764384_100000748579 [0,1,1,0,0,0|1,0,0]=3 611 B13R1.404 CCCC(C)OCCc1cccs1 34a_100011216825_100000766640 [0,1,1,0,0,0|1,0,0]=3 612 B13R1.404 CCCC(C)OCCc1cccs1 7a_100000764384_100000748579 [0,1,1,0,0,0|1,0,0]=3 613 B13R1.404 CCCC(C)OCCc1cccs1 7a_100011216825_100000766640 [0,1,1,0,0,0|1,0,0]=3 614 B13R1.404 CCCC(C)SCCc1cccs1 62a_100000748579_100000766640 [0,1,1,0,0,0|1,1,0]=4 615 B13R1.404 CCCC(C)SCCc1cccs1 62a_100000766640_100000748579 [0,1,1,0,0,0|1,1,0]=4 616 B13R1.404 CNCC(=O)NCCc1cccs1 2230a_106832991635_100000198571 [0,1,1,0,0,0|1,0,1]=4 617 B13R1.404 CNCC(=O)NCCc1cccs1 34a_100102657272_100000198571 [0,1,1,0,0,0|1,0,1]=4 618 B13R1.404 CNCC(=O)NCCc1cccs1 7a_106832991635_100000198571 [0,1,1,0,0,0|1,0,1]=4 619 B13R1.404 COCC(C)NCCc1cccs1 2230a_100000203755_100000765312 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.404 COCC(C)NCCc1cccs1 270004a_100000203755_100000749346 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.404 COCC(C)NCCc1cccs1 34a_100000203755_100000765312 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.404 COCC(C)OCCc1cccs1 34a_100011216825_100000765312 [0,1,1,0,0,0|1,0,0]=3 623 B13R1.404 COCC(C)OCCc1cccs1 7a_100011216825_100000765312 [0,1,1,0,0,0|1,0,0]=3 624 B13R1.404 COCC(C)SCCc1cccs1 62a_100000748579_100000765312 [0,1,1,0,0,0|1,1,0]=4 625 B13R1.404 COCC(C)SCCc1cccs1 62a_100000765312_100000748579 [0,1,1,0,0,0|1,1,0]=4 626 B13R1.404 COC[C@@H](C)NCCc1cccs1 2230a_100000764878_100000748579 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.404 COC[C@@H](C)OCCc1cccs1 34a_100011934205_100000748579 [0,1,1,0,0,0|1,0,0]=3 628 B13R1.404 CSCC(C)NCCc1cccs1 270004a_100000203755_100011216314 [0,1,1,0,0,0|2,0,0]=4 629 B13R1.536 C=CC(C)COCCc1cccs1 34a_100011215527_100000748579 [0,1,1,0,0,0|1,0,1]=4 630 B13R1.536 C=CC(C)COCCc1cccs1 7a_100011215527_100000748579 [0,1,1,0,0,0|1,0,1]=4 631 B13R1.536 C=CC(O)COCCc1cccs1 34a_100011216825_100000730141 [0,1,1,0,0,0|1,0,1]=4 632 B13R1.536 C=CC(O)COCCc1cccs1 7a_100011216825_100000730141 [0,1,1,0,0,0|1,0,1]=4 633 B13R1.536 C=C[C@H](N)COCCc1cccs1 34a_100016989147_100000748579 [0,1,1,0,0,0|1,0,1]=4 634 B13R1.536 CC(CN)COCCc1cccs1 34a_100000744482_100000748579 [0,1,1,0,0,0|2,0,0]=4 635 B13R1.536 CCC(=O)COCCc1cccs1 34a_100000725409_100000748579 [0,1,1,0,0,0|1,0,1]=4 636 B13R1.536 CCC(=O)COCCc1cccs1 7a_100011216825_100000747405 [0,1,1,0,0,0|1,0,1]=4 637 B13R1.536 CCC(C)CNCCc1cccs1 2230a_100000203755_100000748023 [0,1,1,0,0,0|2,0,0]=4 638 B13R1.536 CCC(C)CNCCc1cccs1 2230a_100020588543_100000748579 [0,1,1,0,0,0|2,0,0]=4 639 B13R1.536 CCC(C)CNCCc1cccs1 270004a_100000203755_100000243153 [0,1,1,0,0,0|2,0,0]=4 640 B13R1.536 CCC(C)CNCCc1cccs1 34a_100000203755_100000748023 [0,1,1,0,0,0|2,0,0]=4 641 B13R1.536 CCC(C)COCCc1cccs1 34a_100011216825_100000748023 [0,1,1,0,0,0|1,0,0]=3 642 B13R1.536 CCC(C)COCCc1cccs1 7a_100011216825_100000748023 [0,1,1,0,0,0|1,0,0]=3 643 B13R1.536 CCC(C)CSCCc1cccs1 62a_100000748023_100000748579 [0,1,1,0,0,0|1,1,0]=4 644 B13R1.536 CCC(C)CSCCc1cccs1 62a_100000748579_100000748023 [0,1,1,0,0,0|1,1,0]=4 645 B13R1.536 CCC(O)CNCCc1cccs1 2230a_100000203755_100011218378 [0,1,1,0,0,0|2,0,0]=4 646 B13R1.536 CCC(O)CNCCc1cccs1 2230a_100011218483_100000748579 [0,1,1,0,0,0|2,0,0]=4 647 B13R1.536 CCC(O)CNCCc1cccs1 34a_100000203755_100011218378 [0,1,1,0,0,0|2,0,0]=4 648 B13R1.536 CCC(O)COCCc1cccs1 34a_100011216825_100011218378 [0,1,1,0,0,0|1,0,0]=3 649 B13R1.536 CCC(O)COCCc1cccs1 7a_100011216825_100011218378 [0,1,1,0,0,0|1,0,0]=3 650 B13R1.536 CCC(O)CSCCc1cccs1 62a_100000748579_100011218378 [0,1,1,0,0,0|1,1,0]=4 651 B13R1.536 CCC(O)CSCCc1cccs1 62a_100011218378_100000748579 [0,1,1,0,0,0|1,1,0]=4 652 B13R1.536 CC[C@H](C)CNCCc1cccs1 2230a_100000203755_100009816398 [0,1,1,0,0,0|2,0,0]=4 653 B13R1.536 CC[C@H](C)CNCCc1cccs1 34a_100000203755_100009816398 [0,1,1,0,0,0|2,0,0]=4 654 B13R1.536 CC[C@H](C)COCCc1cccs1 34a_100011216825_100009816398 [0,1,1,0,0,0|1,0,0]=3 655 B13R1.536 CC[C@H](C)COCCc1cccs1 7a_100009816381_100000748579 [0,1,1,0,0,0|1,0,0]=3 656 B13R1.536 CC[C@H](C)COCCc1cccs1 7a_100011216825_100009816398 [0,1,1,0,0,0|1,0,0]=3 657 B13R1.536 CC[C@H](C)CSCCc1cccs1 62a_100000748579_100009816398 [0,1,1,0,0,0|1,1,0]=4 658 B13R1.536 CC[C@H](C)CSCCc1cccs1 62a_100009816398_100000748579 [0,1,1,0,0,0|1,1,0]=4 659 B13R1.536 CNC(=O)CCCCc1cccs1 11a_106832991635_100011216592 [0,1,1,0,0,0|1,0,1]=4 660 B13R1.536 CNC(=O)CCCCc1cccs1 1626a_100102657272_100011216592 [0,1,1,0,0,0|1,0,1]=4 661 B13R1.536 CNC(=O)CCCCc1cccs1 240690a_100102657272_100011216592 [0,1,1,0,0,0|1,0,1]=4 662 B13R1.536 CNC(=O)CCCCc1cccs1 527a_100102657272_100011216592 [0,1,1,0,0,0|1,0,1]=4 663 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000203755_100000183359 [0,1,1,0,0,0|1,0,1]=4 664 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000693194_100000748579 [0,1,1,0,0,0|1,0,1]=4 665 B13R1.536 CNC(=O)CNCCc1cccs1 34a_100000203755_100000183359 [0,1,1,0,0,0|1,0,1]=4 666 B13R1.536 CNC(=O)COCCc1cccs1 34a_100000750040_100000748579 [0,1,1,0,0,0|0,0,1]=3 667 B13R1.536 CNC(=O)COCCc1cccs1 34a_100011216825_100000183359 [0,1,1,0,0,0|0,0,1]=3 668 B13R1.536 CNC(=O)COCCc1cccs1 7a_100011216825_100000183359 [0,1,1,0,0,0|0,0,1]=3 669 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000183359_100000748579 [0,1,1,0,0,0|0,1,1]=4 670 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000748579_100000183359 [0,1,1,0,0,0|0,1,1]=4 671 B13R1.536 COC(=O)COCCc1cccs1 34a_100011216825_100000747449 [0,1,1,0,0,0|1,0,1]=4 672 B13R1.536 COC(=O)COCCc1cccs1 7a_100011216825_100000747449 [0,1,1,0,0,0|1,0,1]=4 673 B13R1.536 COC(C)COCCc1cccs1 34a_100000690652_100000748579 [0,1,1,0,0,0|1,0,0]=3 674 B13R1.536 CO[C@H](C)CNCCc1cccs1 2230a_100020591295_100000748579 [0,1,1,0,0,0|2,0,0]=4 675 B13R1.536 C[C@@H](CO)COCCc1cccs1 34a_100011216825_100000059175 [0,1,1,0,0,0|2,0,0]=4 676 B13R1.536 C[C@@H](CO)COCCc1cccs1 7a_100011216825_100000059175 [0,1,1,0,0,0|2,0,0]=4 677 B13R1.536 ClCC(Cl)COCCc1cccs1 34a_100000033668_100000748579 [0,1,1,0,0,0|2,0,0]=4 678 B13R1.536 NC[C@@H](F)COCCc1cccs1 34a_100015665980_100000748579 [0,1,1,0,0,0|2,0,0]=4 679 B13R1.536 OCC(O)COCCc1cccs1 34a_100011216825_100011219619 [0,1,1,0,0,0|2,0,0]=4 680 B13R1.536 OCC(O)COCCc1cccs1 7a_100011216825_100011219619 [0,1,1,0,0,0|2,0,0]=4 681 B13R1.536 OC[C@H](O)COCCc1cccs1 34a_100011216825_100009815848 [0,1,1,0,0,0|2,0,0]=4 682 B13R1.536 OC[C@H](O)COCCc1cccs1 7a_100011216825_100009815848 [0,1,1,0,0,0|2,0,0]=4 683 B13R1.536 O[C@@H](CF)COCCc1cccs1 34a_100011216825_100015614560 [0,1,1,0,0,0|2,0,0]=4 684 B13R1.536 O[C@@H](CF)COCCc1cccs1 7a_100011216825_100015614560 [0,1,1,0,0,0|2,0,0]=4 685 B13R1.654 CCCCOCCc1scnc1C 34a_100000210227_100000057103 [0,1,1,0,0,0|2,0,0]=4 686 B13R1.654 CCCCOCCc1scnc1C 34a_100000211055_100000210210 [0,1,1,0,0,0|2,0,0]=4 687 B13R1.654 CCCCOCCc1scnc1C 7a_100000210227_100000057103 [0,1,1,0,0,0|2,0,0]=4 688 B13R1.654 CCCCOCCc1scnc1C 7a_100000211055_100000210211 [0,1,1,0,0,0|2,0,0]=4 689 B13R1.654 CCCCOCSc1sccc1Br 62a_100011995733_100012361411 [0,1,1,0,0,0|2,0,0]=4 690 B13R1.654 CCCCOCSc1sccc1Br 62a_100012361411_100011995733 [0,1,1,0,0,0|2,0,0]=4 691 B13R1.654 CCCCOCSc1sccc1C 62a_100010247149_100011995733 [0,1,1,0,0,0|2,0,0]=4 692 B13R1.654 CCCCOCSc1sccc1C 62a_100011995733_100010247149 [0,1,1,0,0,0|2,0,0]=4 693 B13R1.654 COCCOCCc1scnc1C 34a_100000210237_100000057103 [0,1,1,0,0,0|2,0,0]=4 694 B13R1.654 COCCOCCc1scnc1C 34a_100000211055_100011201679 [0,1,1,0,0,0|2,0,0]=4 695 B13R1.654 COCCOCCc1scnc1C 7a_100000211055_100000233755 [0,1,1,0,0,0|2,0,0]=4 696 B13R1.654 COCCOCSc1sccc1Br 62a_100000231047_100012361411 [0,1,1,0,0,0|2,0,0]=4 697 B13R1.654 COCCOCSc1sccc1Br 62a_100012361411_100000231047 [0,1,1,0,0,0|2,0,0]=4 698 B13R1.654 COCCOCSc1sccc1C 62a_100000231047_100010247149 [0,1,1,0,0,0|2,0,0]=4 699 B13R1.654 COCCOCSc1sccc1C 62a_100010247149_100000231047 [0,1,1,0,0,0|2,0,0]=4 700 B13R1.654 CSCCOCCc1scnc1C 34a_100000211055_100000212216 [0,1,1,0,0,0|2,0,0]=4 701 B13R1.654 CSCCOCCc1scnc1C 34a_100000230434_100000057103 [0,1,1,0,0,0|2,0,0]=4 702 B13R1.654 CSCCOCCc1scnc1C 7a_100000211055_100000212216 [0,1,1,0,0,0|2,0,0]=4 703 B13R1.654 CSCCOCCc1scnc1C 7a_100000230434_100000057103 [0,1,1,0,0,0|2,0,0]=4 704 B13R1.179 CCCC(NC)c1cc(sc1C)C 269862a_106832991636_100011268245 [0,1,1,0,0,0|2,0,0]=4 705 B13R1.397 CCOC(OCC)c1csc(c1)O 271570a_203496583355_202127461971 [0,1,1,0,0,0|2,0,0]=4 706 B13R1.579 CCCCc1ccsc1CCCC 271570a_100020621405_100010071534 [0,1,1,0,0,0|2,0,0]=4 707 B13R1.579 CCCCc1ccsc1SCCC 62a_100000210303_100010071534 [0,1,1,0,0,0|2,0,0]=4 708 B13R1.579 CCCCc1ccsc1SCCC 62a_100010071534_100000210303 [0,1,1,0,0,0|2,0,0]=4 709 B13R1.579 CCCCc1ccsc1SCCF 62a_100010071534_100011217306 [0,1,1,0,0,0|2,0,0]=4 710 B13R1.579 CCCCc1ccsc1SCCF 62a_100011217306_100010071534 [0,1,1,0,0,0|2,0,0]=4 711 B13R1.579 CCCCc1ccsc1SCCO 62a_100000211926_100010071534 [0,1,1,0,0,0|1,0,0]=3 712 B13R1.579 CCCCc1ccsc1SCCO 62a_100010071534_100000211926 [0,1,1,0,0,0|1,0,0]=3 713 B13R1.579 CCCCc1ccsc1SCOC 62a_100000766300_100010071534 [0,1,1,0,0,0|2,0,0]=4 714 B13R1.579 CCCCc1ccsc1SCOC 62a_100010071534_100000766300 [0,1,1,0,0,0|2,0,0]=4 715 B13R2.623 CNC1C[C@@H](Sc2c1ccs2)C 269862a_106832991636_100000764115 [1,1,0,0,0,0|2,0,0]=4 716 B13R2.468 CCCNC1CCc2c1ccs2 269862a_100020643023_100000011361 [0,1,0,0,1,0|1,0,0]=3 717 B13R2.468 CCNN=C1CCc2c1ccs2 4a_100000756455_100000011361 [0,1,0,0,1,0|1,0,1]=4 718 B13R2.468 FCCNC1CCc2c1ccs2 269862a_100000724931_100000011361 [0,1,0,0,1,0|2,0,0]=4 719 B13R2.468 OCCNC1CCc2c1ccs2 269862a_100000210304_100000011361 [0,1,0,0,1,0|2,0,0]=4 720 B15R2.16857 CNCC1(CCCc2c1cccc2)O 2230a_100000753875_200000210301 [0,1,0,0,0,1|2,0,0]=4 721 B15R2.16857 CNCC1(CCCc2c1cccc2)O 34a_100000753875_200000210301 [0,1,0,0,0,1|2,0,0]=4 722 B15R2.16857 [13CH3]NCC1(CCCc2c1cccc2)O 2230a_100000753875_200025704644 [0,1,0,0,0,1|2,0,0]=4 723 B15R2.16857 [13CH3]NCC1(CCCc2c1cccc2)O 34a_100000753875_200025704644 [0,1,0,0,0,1|2,0,0]=4 724 B15R2.18471 CCNCC1OCCc2c1cccc2 2230a_100000755408_100000210202 [0,1,0,0,0,1|1,0,0]=3 725 B15R2.18471 CCNCC1OCCc2c1cccc2 34a_100000755408_100000210202 [0,1,0,0,0,1|1,0,0]=3 726 B15R2.18471 FCNCC1OCCc2c1cccc2 34a_100000755408_100015361967 [0,1,0,0,0,1|1,0,0]=3 727 B15R2.68122 CC(=O)CC1OCCc2c1cccc2 1458a_100000751863_200000210301 [0,1,0,0,0,1|2,0,0]=4 728 B15R2.68122 CN(C)CC1OCCc2c1cccc2 2230a_100015203942_200000210301 [0,1,0,0,0,1|1,0,0]=3 729 B15R2.68122 CN(C)CC1OCCc2c1cccc2 269982a_100015203942_200000210301 [0,1,0,0,0,1|1,0,0]=3 730 B15R2.68122 CN(C)CC1OCCc2c1cccc2 34a_100015203942_200000210301 [0,1,0,0,0,1|1,0,0]=3 731 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 2230a_100015203942_200025704644 [0,1,0,0,0,1|1,0,0]=3 732 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 269982a_100015203942_200025704644 [0,1,0,0,0,1|1,0,0]=3 733 B15R2.68122 CN([13CH3])CC1OCCc2c1cccc2 34a_100015203942_200025704644 [0,1,0,0,0,1|1,0,0]=3 734 B15R2.68122 [13CH3]C(=O)CC1OCCc2c1cccc2 1458a_100000751863_200025704644 [0,1,0,0,0,1|2,0,0]=4 735 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 11a_106832991635_100000026751 [0,1,0,0,0,1|1,0,1]=4 736 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 1626a_100102657272_100000026751 [0,1,0,0,0,1|1,0,1]=4 737 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 240690a_100102657272_100000026751 [0,1,0,0,0,1|1,0,1]=4 738 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 527a_100102657272_100000026751 [0,1,0,0,0,1|1,0,1]=4 739 B15R2.4278 C#CCNCC1OCCc2c1ccs2 2230a_100025773454_100000038162 [0,2,0,0,0,0|0,0,0]=2 740 B15R2.4278 C#CCNCC1OCCc2c1ccs2 34a_100025773454_100000184674 [0,2,0,0,0,0|0,0,0]=2 741 B15R2.4278 C=CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210623 [0,2,0,0,0,0|0,0,0]=2 742 B15R2.4278 C=CCNCC1OCCc2c1ccs2 34a_100025773454_100015514636 [0,2,0,0,0,0|0,0,0]=2 743 B15R2.4278 CCCCNC1CCCc2c1ccs2 269862a_100000102301_100000024123 [0,2,0,0,0,0|2,0,0]=4 744 B15R2.4278 CCCNCC1OCCc2c1ccs2 2230a_100025773454_100000210303 [0,2,0,0,0,0|0,0,0]=2 745 B15R2.4278 CCCNCC1OCCc2c1ccs2 34a_100025773454_100000210303 [0,2,0,0,0,0|0,0,0]=2 746 B15R2.4278 COCCNC1CCCc2c1ccs2 269862a_100000209980_100000024123 [0,2,0,0,0,0|2,0,0]=4 747 B15R2.4278 COCNCC1OCCc2c1ccs2 2230a_100025773454_100000766300 [0,2,0,0,0,0|0,0,0]=2 748 B15R2.4278 CSCCNC1CCCc2c1ccs2 269862a_100020590264_100000024123 [0,2,0,0,0,0|2,0,0]=4 749 B15R2.4278 CSCNCC1OCCc2c1ccs2 2230a_100025773454_100011218213 [0,2,0,0,0,0|0,0,0]=2 750 B15R2.4278 CSCNCC1OCCc2c1ccs2 34a_100025773454_100011218213 [0,2,0,0,0,0|0,0,0]=2 751 B15R2.4278 FCCCNC1CCCc2c1ccs2 269862a_100015189416_100000024123 [0,2,0,0,0,0|2,0,0]=4 752 B15R2.4278 FCCNCC1OCCc2c1ccs2 2230a_100025773454_100011217306 [0,2,0,0,0,0|0,0,0]=2 753 B15R2.4278 FCCNCC1OCCc2c1ccs2 34a_100025773454_100011217306 [0,2,0,0,0,0|0,0,0]=2 754 B15R2.4278 N#CCNCC1OCCc2c1ccs2 2230a_100025773454_100011215382 [0,2,0,0,0,0|0,0,0]=2 755 B15R2.4278 O=CCNCC1OCCc2c1ccs2 2230a_100025773454_200015260668 [0,2,0,0,0,0|0,0,0]=2 756 B15R2.4278 O=CCNCC1OCCc2c1ccs2 34a_100025773454_200009817547 [0,2,0,0,0,0|0,0,0]=2 757 B15R2.4278 OCCCNC1CCCc2c1ccs2 269862a_100000182051_100000024123 [0,2,0,0,0,0|2,0,0]=4 758 B15R2.4278 OCCNCC1OCCc2c1ccs2 2230a_100025773454_100000211926 [0,2,0,0,0,0|0,0,0]=2 759 B15R2.4278 OCCNCC1OCCc2c1ccs2 34a_100025773454_100000211926 [0,2,0,0,0,0|0,0,0]=2 760 B15R2.19139 CCC(C)NC1CCCc2c1ccs2 269862a_100000209981_100000024123 [0,2,0,0,0,0|2,0,0]=4 761 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 11a_100025773454_100015343762 [0,2,0,0,0,0|0,0,0]=2 762 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 1626a_100025773454_100015343762 [0,2,0,0,0,0|0,0,0]=2 763 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 240690a_100025773454_100015343762 [0,2,0,0,0,0|0,0,0]=2 764 B15R2.19753 CC(=O)NCC1OCCc2c1ccs2 527a_100025773454_100103153847 [0,2,0,0,0,0|0,0,0]=2 765 B15R2.19753 CC(C)CNC1CCCc2c1ccs2 269862a_100000210953_100000024123 [0,2,0,0,0,0|2,0,0]=4 766 B15R2.19753 CC(C)NCC1OCCc2c1ccs2 2230a_100025773454_100000210206 [0,2,0,0,0,0|0,0,0]=2 767 B15R2.19753 CC(C)NCC1OCCc2c1ccs2 34a_100025773454_100000210206 [0,2,0,0,0,0|0,0,0]=2 768 B15R2.19753 CC(O)CNC1CCCc2c1ccs2 269862a_100000210904_100000024123 [0,2,0,0,0,0|2,0,0]=4 769 B13R2.18 CN1CCCCC1c2cccs2 2230a_200011804124_200000210301 [0,0,1,1,0,0|1,0,0]=3 770 B13R2.18 CN1CCCCC1c2cccs2 269982a_200011804124_200000210301 [0,0,1,1,0,0|1,0,0]=3 771 B13R2.18 CN1CCCCC1c2cccs2 34a_200011804124_200000210301 [0,0,1,1,0,0|1,0,0]=3 772 B13R2.18 CN1CCCCC1c2nccs2 2230a_100000748947_200000210301 [0,0,1,1,0,0|2,0,0]=4 773 B13R2.18 CN1CCCCC1c2nccs2 269982a_100000748947_200000210301 [0,0,1,1,0,0|2,0,0]=4 774 B13R2.18 [13CH3]N1CCCCC1c2cccs2 2230a_200011804124_200025704644 [0,0,1,1,0,0|1,0,0]=3 775 B13R2.18 [13CH3]N1CCCCC1c2cccs2 269982a_200011804124_200025704644 [0,0,1,1,0,0|1,0,0]=3 776 B13R2.18 [13CH3]N1CCCCC1c2cccs2 34a_200011804124_200025704644 [0,0,1,1,0,0|1,0,0]=3 777 B13R2.18 [13CH3]N1CCCCC1c2nccs2 2230a_100000748947_200025704644 [0,0,1,1,0,0|2,0,0]=4 778 B13R2.18 [13CH3]N1CCCCC1c2nccs2 269982a_100000748947_200025704644 [0,0,1,1,0,0|2,0,0]=4 779 B13R2.158 CC1CCN1CCc2cccs2 269982a_100000755817_100000748579 [0,0,1,1,0,0|2,0,0]=4 780 B13R2.158 CC1CCN1CCc2cccs2 34a_100000755817_100000748579 [0,0,1,1,0,0|2,0,0]=4 781 B13R2.183 c1csc(c1)CCN2CCCC2 2230a_100000188435_100000748579 [0,0,1,1,0,0|2,0,0]=4 782 B13R2.183 c1csc(c1)CCN2CCCC2 269982a_100000188435_100000748579 [0,0,1,1,0,0|2,0,0]=4 783 B13R2.183 c1csc(c1)CCN2CCSC2 2230a_100011215254_100000748579 [0,0,1,1,0,0|2,0,0]=4 784 B13R2.183 c1csc(c1)CCN2CCSC2 269982a_100011215254_100000748579 [0,0,1,1,0,0|2,0,0]=4 785 B13R2.2380 c1csc(c1)CCNCC2CC2 2230a_100000203755_100000742324 [0,0,1,1,0,0|2,0,0]=4 786 B13R2.2380 c1csc(c1)CCNCC2CC2 2230a_100000735609_100000748579 [0,0,1,1,0,0|2,0,0]=4 787 B13R2.2380 c1csc(c1)CCNCC2CC2 269862a_100000203755_100000741477 [0,0,1,1,0,0|2,0,0]=4 788 B13R2.2380 c1csc(c1)CCNCC2CC2 34a_100000203755_100000742324 [0,0,1,1,0,0|2,0,0]=4 789 B13R2.2380 c1csc(c1)CCNCC2CC2 34a_100000735609_100000748579 [0,0,1,1,0,0|2,0,0]=4 790 B13R2.2380 c1csc(c1)CCNCC2CO2 2230a_100000203755_100011216344 [0,0,1,1,0,0|2,0,0]=4 791 B13R2.2380 c1csc(c1)CCNCC2CO2 34a_100000203755_102125554688 [0,0,1,1,0,0|2,0,0]=4 792 B13R2.2380 c1csc(c1)CCOCC2CC2 34a_100000211283_100000748579 [0,0,1,1,0,0|1,0,0]=3 793 B13R2.2380 c1csc(c1)CCOCC2CC2 34a_100011216825_100000742324 [0,0,1,1,0,0|1,0,0]=3 794 B13R2.2380 c1csc(c1)CCOCC2CC2 7a_100011216825_100000742324 [0,0,1,1,0,0|1,0,0]=3 795 B13R2.2380 c1csc(c1)CCOCC2CO2 34a_100011216825_102125554688 [0,0,1,1,0,0|1,0,0]=3 796 B13R2.2380 c1csc(c1)CCOCC2CO2 7a_100011216825_102125554688 [0,0,1,1,0,0|1,0,0]=3 797 B13R2.2380 c1csc(c1)CCOCC2CS2 7a_100011216825_100000031435 [0,0,1,1,0,0|1,0,0]=3 798 B13R2.2380 c1csc(c1)CCOC[C@@H]2CO2 34a_100000757423_100000748579 [0,0,1,1,0,0|1,0,0]=3 799 B13R2.2380 c1csc(c1)CCOC[C@@H]2CO2 7a_100011216825_100000745022 [0,0,1,1,0,0|1,0,0]=3 800 B13R2.2380 c1csc(c1)CCSCC2CC2 62a_100000748579_100000742324 [0,0,1,1,0,0|1,1,0]=4 801 B13R2.2380 c1csc(c1)CCSCC2CC2 62a_100000756562_100000748579 [0,0,1,1,0,0|1,1,0]=4 802 B13R2.2380 c1csc(c1)CCSCC2CO2 62a_100000748579_102125554688 [0,0,1,1,0,0|1,1,0]=4 803 B13R2.2380 c1csc(c1)CCSCC2CO2 62a_102125554688_100000748579 [0,0,1,1,0,0|1,1,0]=4 804 B13R2.2380 c1csc(c1)CCSCC2CS2 62a_100000031435_100000748579 [0,0,1,1,0,0|1,1,0]=4 805 B13R2.2380 c1csc(c1)CCSCC2CS2 62a_100000748579_100000031435 [0,0,1,1,0,0|1,1,0]=4 806 B13R2.2380 c1csc(c1)CCSC[C@@H]2CO2 62a_100000745022_100000748579 [0,0,1,1,0,0|1,1,0]=4 807 B13R2.2380 c1csc(c1)CCSC[C@@H]2CO2 62a_100000748579_100000745022 [0,0,1,1,0,0|1,1,0]=4 808 B13R2.2381 c1csc(c1)CCNC2CCC2 2230a_100000749019_100000748579 [0,0,1,1,0,0|2,0,0]=4 809 B13R2.2381 c1csc(c1)CCNC2CCC2 270004a_100000203755_100000241760 [0,0,1,1,0,0|2,0,0]=4 810 B13R2.2381 c1csc(c1)CCNC2CCC2 34a_100000203755_100000749161 [0,0,1,1,0,0|2,0,0]=4 811 B13R2.2381 c1csc(c1)CCNC2CCC2 34a_100000749019_100000748579 [0,0,1,1,0,0|2,0,0]=4 812 B13R2.2381 c1csc(c1)CCNC2COC2 2230a_100016991112_100000748579 [0,0,1,1,0,0|2,0,0]=4 813 B13R2.2381 c1csc(c1)CCNC2COC2 34a_100000203755_100009818527 [0,0,1,1,0,0|2,0,0]=4 814 B13R2.2381 c1csc(c1)CCOC2CCC2 34a_100000748187_100000748579 [0,0,1,1,0,0|1,0,0]=3 815 B13R2.2381 c1csc(c1)CCOC2CCC2 34a_100011216825_100000749161 [0,0,1,1,0,0|1,0,0]=3 816 B13R2.2381 c1csc(c1)CCOC2COC2 34a_100011216825_100009818527 [0,0,1,1,0,0|1,0,0]=3 817 B13R2.2381 c1csc(c1)CCOC2COC2 7a_100011216825_100009818527 [0,0,1,1,0,0|1,0,0]=3 818 B13R2.2381 c1csc(c1)CCOC2CSC2 7a_100000072292_100000748579 [0,0,1,1,0,0|1,0,0]=3 819 B13R2.2381 c1csc(c1)CCSC2CCC2 62a_100000748579_100000749161 [0,0,1,1,0,0|1,1,0]=4 820 B13R2.2381 c1csc(c1)CCSC2COC2 62a_100000748579_100009818527 [0,0,1,1,0,0|1,1,0]=4 821 B13R2.2441 CCCCc1ccsc1C2CC2 271570a_100011220607_100010071534 [0,0,1,1,0,0|2,0,0]=4 822 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [1,0,0,0,1,0|0,0,0]=2 823 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [1,0,0,0,1,0|2,0,0]=4 824 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,0,1,0,0,1|2,0,0]=4 825 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,0,1,0,0,1|2,0,0]=4 826 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,0,1,0,0,1|2,0,0]=4 827 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,0,1,0,0,1|2,0,0]=4 828 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,0,1,0,0,1|2,0,0]=4 829 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,0,1,0,0,1|2,0,0]=4 830 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,0,1,0,0,1|2,0,0]=4 831 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,0,1,0,0,1|2,0,0]=4 832 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,0,1,0,0,1|2,0,0]=4 833 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,0,1,0,0,1|2,0,0]=4 834 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,0,1,0,0,1|2,0,0]=4 835 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,0,1,0,0,1|2,0,0]=4 836 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,0,1,0,0,1|2,0,0]=4 837 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,0,1,0,0,1|2,0,0]=4 838 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,0,1,0,0,1|2,0,0]=4 839 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,0,1,0,0,1|2,0,0]=4 840 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,0,1,0,0,1|2,0,0]=4 841 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,0,1,0,0,1|2,0,0]=4 842 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,0,1,0,0,1|2,0,0]=4 843 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,0,1,0,0,1|2,0,0]=4 844 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,0,1,0,0,1|2,0,0]=4 845 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [0,0,1,0,0,1|2,0,0]=4 846 B13R1.28 COCCOCCc1cnccn1 34a_100011349526_100011201679 [0,0,1,0,0,1|2,0,0]=4 847 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,0,1,0,0,1|2,0,0]=4 848 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,0,1,0,0,1|2,0,0]=4 849 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,0,1,0,0,1|2,0,0]=4 850 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,0,1,0,0,1|2,0,0]=4 851 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,0,1,0,0,1|2,0,0]=4 852 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,0,1,0,0,1|2,0,0]=4 853 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,0,1,0,0,1|2,0,0]=4 854 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,0,1,0,0,1|2,0,0]=4 855 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [0,0,1,0,0,1|2,0,0]=4 856 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [0,0,1,0,0,1|2,0,0]=4 857 B13R1.28 CSCCOCCc1cnccn1 34a_100011349526_100000212216 [0,0,1,0,0,1|2,0,0]=4 858 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,0,1,0,0,1|2,0,0]=4 859 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,0,1,0,0,1|2,0,0]=4 860 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,0,1,0,0,1|2,0,0]=4 861 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,0,1,0,0,1|2,0,0]=4 862 B13R1.184 CCCC(CC)Sc1ccsc1C 62a_100000684487_100011219200 [0,0,1,0,0,1|2,0,0]=4 863 B13R1.184 CCCC(CC)Sc1ccsc1C 62a_100011219200_100000684487 [0,0,1,0,0,1|2,0,0]=4 864 B13R1.389 CCCC(CCC)Oc1ccsc1 34a_100000106738_200011218217 [0,0,1,0,0,1|2,0,0]=4 865 B13R1.389 CCCC(CCC)Oc1ccsc1 7a_100000106738_200011218217 [0,0,1,0,0,1|2,0,0]=4 866 B13R1.389 CCCC(CCC)Sc1ccsc1 62a_100000738268_200011218217 [0,0,1,0,0,1|2,0,0]=4 867 B13R1.389 CCCC(CCC)Sc1ccsc1 62a_200011218217_100000738268 [0,0,1,0,0,1|2,0,0]=4 868 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,0,1,0,0,1|2,0,0]=4 869 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,0,1,0,0,1|2,0,0]=4 870 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000210301_200000733937 [0,0,1,0,0,1|2,0,0]=4 871 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000733937_200000210301 [0,0,1,0,0,1|2,0,0]=4 872 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200000733937_200025704644 [0,0,1,0,0,1|2,0,0]=4 873 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200000733937 [0,0,1,0,0,1|2,0,0]=4 874 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [0,0,1,0,0,1|2,0,0]=4 875 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [0,0,1,0,0,1|2,0,0]=4