0 B13R2.292 CCNC1CCCc2c1occ2 269862a_100015525214_100009877200 [0,0,0,0,0,0|3,1,0]=4 1 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [1,0,0,0,0,0|2,1,0]=4 6 B14R2.892 CCCNC1CCCc2c1occ2 269862a_100020643023_100009877200 [0,1,0,0,0,0|2,1,0]=4 7 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.892 FCCNC1CCCc2c1occ2 269862a_100000724931_100009877200 [0,1,0,0,0,0|2,1,0]=4 10 B14R2.892 FCNCC1OCCc2c1ccs2 34a_100025773454_100015361967 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.892 OCCNC1CCCc2c1occ2 269862a_100000210304_100009877200 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.37 BrCCCCOCc1ccsc1 34a_100011216708_100011261437 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.37 BrCCCOCCc1cccs1 34a_100011217188_100000748579 [0,0,1,0,0,0|3,0,0]=4 14 B12R1.37 C#CCCNCCc1ccsc1 2230a_100000692642_100000688953 [0,0,1,0,0,0|2,0,1]=4 15 B12R1.37 C#CCCNCCc1ccsc1 34a_100000692642_100000688953 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.37 C#CCCOCC[n+]1ccsc1 34a_200000100414_100000688953 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.37 C#CCCOCCc1ccsc1 34a_100000748821_100000688953 [0,0,1,0,0,0|1,0,1]=3 18 B12R1.37 C/C=C/COCCc1ccsc1 34a_100000748821_100102629194 [0,0,1,0,0,0|1,0,2]=4 19 B12R1.37 C=CCCNCCc1ccsc1 2230a_100000692642_100000754431 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.37 C=CCCNCCc1ccsc1 34a_100000692642_100000754431 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.37 C=CCCOCC[n+]1ccsc1 34a_200000100414_100000754431 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.37 C=CCCOCCc1ccsc1 34a_100000748821_100000754431 [0,0,1,0,0,0|1,0,1]=3 23 B12R1.37 CC#CCOCCc1ccsc1 34a_100000748821_100000748600 [0,0,1,0,0,0|1,0,2]=4 24 B12R1.37 CC=CCOCCc1ccsc1 34a_100000748821_100000070051 [0,0,1,0,0,0|1,0,2]=4 25 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,0,1,0,0,0|2,0,0]=3 41 B12R1.37 CCCCOCC[n+]1ccsc1 34a_200000100414_100000210210 [0,0,1,0,0,0|2,0,0]=3 42 B12R1.37 CCCCOCCc1c[nH]cn1 7a_100000210227_100020628418 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,0,1,0,0,0|1,0,0]=2 48 B12R1.37 CCCCOCCc1cn[nH]c1 34a_100000766553_100000210210 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.37 CCCCOCCc1cn[nH]c1 7a_100000210227_100000743252 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.37 CCCCOCCc1cnoc1 34a_100000732699_100000210210 [0,0,1,0,0,0|2,1,0]=4 51 B12R1.37 CCCCOCCn1cccc1 34a_100000179382_100000210210 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.37 CCCCOCCn1cccc1 7a_100000210227_200000035178 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.37 CCCCOCCn1ccnc1 34a_100000719764_100000210210 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.37 CCCCOCCn1ccnc1 7a_100000210227_100000702546 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [0,0,1,0,0,0|2,0,0]=3 56 B12R1.37 CCCCOCSc1ccoc1 62a_100011215275_100011995733 [0,0,1,0,0,0|2,1,0]=4 57 B12R1.37 CCCCOCSc1ccoc1 62a_100011995733_100011215275 [0,0,1,0,0,0|2,1,0]=4 58 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [0,0,1,0,0,0|2,0,0]=3 59 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [0,0,1,0,0,0|2,0,0]=3 60 B12R1.37 CCCCOCSc1ccsn1 62a_100009818082_100011995733 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.37 CCCCOCSc1ccsn1 62a_100011995733_100009818082 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.37 CCCCOCSc1cnsc1 62a_100009815736_100011995733 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.37 CCCCOCSc1cnsc1 62a_100011995733_100009815736 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.37 CCCCOCSc1cscn1 62a_100000751502_100011995733 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.37 CCCCOCSc1cscn1 62a_100011995733_100000751502 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.37 COCCOCC[n+]1ccsc1 34a_200000100414_100011201679 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,0,1,0,0,0|2,0,0]=3 72 B12R1.37 COCCOCSc1ccsc1 62a_100000231047_100000738268 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.37 COCCOCSc1ccsc1 62a_100000738268_100000231047 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.37 CSCCOCC[n+]1ccsc1 34a_200000100414_100000212216 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [0,0,1,0,0,0|2,0,0]=3 78 B12R1.37 ClCCCCOCc1ccsc1 34a_100000210776_100011261437 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.37 ClCCCCOCc1ccsc1 7a_100000210776_100011261437 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.37 ClCCCOCCc1cccs1 34a_100000230001_100000748579 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.37 FCCCCCOc1ccsc1 34a_100000106738_100000729378 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.37 FCCCCCOc1ccsc1 7a_100000106738_100000729378 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.37 FCCCCCSc1ccsc1 62a_100000729378_100000738268 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.37 FCCCCCSc1ccsc1 62a_100000738268_100000729378 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.37 FCCCCNCc1ccsc1 2230a_100000186416_100000729493 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.37 FCCCCNCc1ccsc1 34a_100000186416_100000729493 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.37 FCCCCOCc1ccsc1 34a_100011215551_100000729493 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.37 FCCCCOCc1ccsc1 34a_100011995726_100011261437 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.37 FCCCCOCc1ccsc1 7a_100011995726_100011261437 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.37 FCCCCSCc1ccsc1 62a_100000729493_100011233845 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.37 FCCCCSCc1ccsc1 62a_100011261437_100000729493 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,0,1,0,0,0|2,0,0]=3 93 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,0,1,0,0,0|2,0,0]=3 94 B12R1.37 FCCCOCC[n+]1ccsc1 34a_200000100414_100011934791 [0,0,1,0,0,0|2,0,0]=3 95 B12R1.37 FCCCOCCc1cccs1 34a_100000759539_100000748579 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.37 FCCCOCCc1cccs1 34a_100011216825_100011934791 [0,0,1,0,0,0|3,0,0]=4 97 B12R1.37 FCCCOCCc1cccs1 7a_100011216825_100011934791 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,0,1,0,0,0|1,0,0]=2 99 B12R1.37 FCCCOCCc1cn[nH]c1 34a_100000766553_100011934791 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.37 FCCCOCCc1cnoc1 34a_100000732699_100011934791 [0,0,1,0,0,0|2,1,0]=4 101 B12R1.37 FCCCOCCn1cccc1 34a_100000179382_100011934791 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.37 FCCCOCCn1ccnc1 34a_100000719764_100011934791 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.37 ICCCCOCc1ccsc1 34a_200012148704_100011261437 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.37 N#CCCNCCc1ccsc1 2230a_100000692642_100011215226 [0,0,1,0,0,0|1,0,2]=4 107 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.37 NCCCCOCc1cscn1 34a_100000750430_100000205941 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.37 NCCCOCCc1cccs1 34a_100000182051_100000748579 [0,0,1,0,0,0|2,0,0]=3 110 B12R1.37 NCCCOCCn1cccn1 34a_100000182051_100015204718 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.37 NCCCOCCn1cncn1 34a_100000182051_200000749826 [0,0,1,0,0,0|3,0,0]=4 112 B12R1.37 NOCCOCCc1cccs1 34a_100000700252_100000748579 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.37 OCCCCCOc1ccsc1 34a_100000106738_100000746330 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.37 OCCCCCOc1ccsc1 7a_100000106738_100000746330 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.37 OCCCCCSc1ccsc1 62a_100000738268_100000746330 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.37 OCCCCCSc1ccsc1 62a_100000746330_100000738268 [0,0,1,0,0,0|3,0,0]=4 117 B12R1.37 OCCCCNCc1ccsc1 207a_100000750430_100000188534 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.37 OCCCCNCc1ccsc1 2230a_100000186416_100000210776 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.37 OCCCCNCc1ccsc1 2230a_100000750430_100011261437 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.37 OCCCCNCc1ccsc1 270004a_100000750430_100000188534 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.37 OCCCCNCc1ccsc1 34a_100000186416_100011216708 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.37 OCCCCNCc1ccsc1 34a_100000750430_100011261437 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.37 OCCCCOCc1ccsc1 34a_100011215551_100011216708 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.37 OCCCCSCc1ccsc1 62a_100000210776_100011233845 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.37 OCCCCSCc1ccsc1 62a_100011261437_100000210776 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,0,1,0,0,0|2,0,0]=3 127 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.37 OCCCOCC[n+]1ccsc1 34a_200000100414_100000230001 [0,0,1,0,0,0|2,0,0]=3 129 B12R1.37 OCCCOCCc1cccs1 34a_100011216825_100000230001 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.37 OCCCOCCc1cccs1 7a_100011216825_100011215043 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,0,1,0,0,0|1,0,0]=2 132 B12R1.37 OCCCOCCc1cn[nH]c1 34a_100000766553_100000230001 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.37 OCCCOCCc1cnoc1 34a_100000732699_100000230001 [0,0,1,0,0,0|2,1,0]=4 134 B12R1.37 OCCCOCCn1cccc1 34a_100000179382_100000230001 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.37 OCCCOCCn1ccnc1 34a_100000719764_100000230001 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.134 CCCC(NC)c1sccc1C 269862a_106832991636_200011510482 [0,0,1,0,0,0|2,0,0]=3 139 B12R1.293 C=CCC(OCC)c1ccco1 34a_100011729935_100000210202 [0,0,1,0,0,0|1,1,1]=4 140 B12R1.293 C=CCC(OCC)c1ccco1 7a_100011729935_100000210202 [0,0,1,0,0,0|1,1,1]=4 141 B12R1.293 CCCC(NCC)c1ccco1 269862a_100015525214_200011535218 [0,0,1,0,0,0|2,1,0]=4 142 B12R1.293 CCCC(NCC)c1cccs1 2230a_200015187693_100000210202 [0,0,1,0,0,0|2,0,0]=3 143 B12R1.293 CCCC(NCC)c1cccs1 269862a_100015525214_100011218182 [0,0,1,0,0,0|2,0,0]=3 144 B12R1.293 CCCC(NCC)c1cccs1 34a_200015187693_100000210202 [0,0,1,0,0,0|2,0,0]=3 145 B12R1.293 CCCC(NCF)c1cccs1 34a_200015187693_100015361967 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.320 CCCCc1sccc1CNC 271570a_100020621405_100009817074 [0,0,1,0,0,0|3,0,0]=4 147 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [0,0,0,0,1,0|2,0,0]=3 148 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [0,0,0,0,0,1|3,0,0]=4 149 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [0,0,0,0,0,1|3,0,0]=4 150 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [0,0,0,0,0,1|3,0,0]=4 151 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [0,0,0,0,0,1|3,0,0]=4 152 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [1,0,1,0,0,0|1,0,0]=3 153 B11R1.4 BrCCCOCc1cscn1 34a_100011217188_100000205941 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.4 C#CCCOCc1ccsc1 34a_100011215551_100000688953 [1,0,1,0,0,0|1,0,1]=4 155 B11R1.4 C#CCCOCc1ccsc1 34a_100011215631_100011261437 [1,0,1,0,0,0|1,0,1]=4 156 B11R1.4 C#CCOCCc1ccsc1 34a_100000748821_100000184674 [1,0,1,0,0,0|0,0,2]=4 157 B11R1.4 C=CCCOCc1ccsc1 34a_100011205117_100011261437 [1,0,1,0,0,0|1,0,1]=4 158 B11R1.4 C=CCCOCc1ccsc1 34a_100011215551_100000754431 [1,0,1,0,0,0|1,0,1]=4 159 B11R1.4 C=CCOCCc1ccsc1 34a_100000748821_100015514636 [1,0,1,0,0,0|0,0,2]=4 160 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [1,0,1,0,0,0|2,0,0]=4 164 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [1,0,1,0,0,0|2,0,0]=4 170 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [1,0,1,0,0,0|1,1,0]=4 171 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [1,0,1,0,0,0|1,0,0]=3 172 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [1,0,1,0,0,0|1,0,0]=3 173 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [1,0,1,0,0,0|1,0,0]=3 174 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [1,0,1,0,0,0|1,1,0]=4 177 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [1,0,1,0,0,0|1,1,0]=4 178 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [1,0,1,0,0,0|1,0,0]=3 179 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [1,0,1,0,0,0|1,0,0]=3 180 B11R1.4 CCCOCC[n+]1ccsc1 34a_200000100414_100000210303 [1,0,1,0,0,0|1,0,0]=3 181 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [1,0,1,0,0,0|0,0,0]=2 185 B11R1.4 CCCOCCc1cn[nH]c1 34a_100000766553_100000210303 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.4 CCCOCCc1cnoc1 34a_100000732699_100000210303 [1,0,1,0,0,0|1,1,0]=4 187 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.4 CCCOCCn1ccnc1 34a_100000719764_100000210303 [1,0,1,0,0,0|2,0,0]=4 189 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [1,0,1,0,0,0|2,0,0]=4 190 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.4 COCCOCc1ccsc1 34a_100000210237_100011261437 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.4 COCCOCc1ccsc1 34a_100011215551_100011201679 [1,0,1,0,0,0|2,0,0]=4 193 B11R1.4 COCNCCc1ccsc1 2230a_100000692642_100000766300 [1,0,1,0,0,0|2,0,0]=4 194 B11R1.4 CSCCOCc1ccsc1 34a_100000230434_100011261437 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.4 CSCCOCc1ccsc1 34a_100011215551_100000212216 [1,0,1,0,0,0|2,0,0]=4 196 B11R1.4 CSCCOCc1ccsc1 7a_100000230434_100011261437 [1,0,1,0,0,0|2,0,0]=4 197 B11R1.4 CSCNCCc1ccsc1 2230a_100000692642_100011218213 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.4 CSCNCCc1ccsc1 34a_100000692642_100011218213 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.4 CSCOCC[n+]1ccsc1 34a_200000100414_100011218213 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [1,0,1,0,0,0|1,0,0]=3 201 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [1,0,1,0,0,0|1,0,0]=3 202 B11R1.4 ClCCCOCc1cscn1 34a_100000230001_100000205941 [1,0,1,0,0,0|2,0,0]=4 203 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [1,0,1,0,0,0|2,0,0]=4 207 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [1,0,1,0,0,0|1,1,0]=4 214 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [1,0,1,0,0,0|1,0,0]=3 215 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [1,0,1,0,0,0|1,0,0]=3 216 B11R1.4 FCCCOCc1cscn1 34a_100000759539_100000205941 [1,0,1,0,0,0|2,0,0]=4 217 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [1,0,1,0,0,0|1,1,0]=4 218 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [1,0,1,0,0,0|1,1,0]=4 219 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.4 FCCOCC[n+]1ccsc1 34a_200000100414_100011217306 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [1,0,1,0,0,0|1,0,0]=3 223 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.4 NCCCOCc1c[nH]cn1 34a_100000182051_100000707719 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.4 NCCCOCc1ccn[nH]1 34a_100000182051_100000728653 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.4 NCCCOCc1ccon1 34a_100000182051_100000234950 [1,0,1,0,0,0|1,1,0]=4 228 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [1,0,1,0,0,0|0,0,0]=2 229 B11R1.4 NCCCOCc1cncs1 34a_100000182051_100015185245 [1,0,1,0,0,0|2,0,0]=4 230 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [1,0,1,0,0,0|1,0,0]=3 231 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.4 NOCCOCc1ccsc1 34a_100000700252_100011261437 [1,0,1,0,0,0|1,0,0]=3 233 B11R1.4 NOCCOCc1cscn1 34a_100000700252_100000205941 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.4 O=CCOCCc1ccsc1 34a_100000748821_200009817547 [1,0,1,0,0,0|1,0,1]=4 235 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [1,0,1,0,0,0|2,0,0]=4 236 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [1,0,1,0,0,0|2,0,0]=4 242 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [1,0,1,0,0,0|2,0,0]=4 243 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [1,0,1,0,0,0|1,1,0]=4 244 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [1,0,1,0,0,0|1,0,0]=3 245 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [1,0,1,0,0,0|1,1,0]=4 246 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [1,0,1,0,0,0|1,1,0]=4 247 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [1,0,1,0,0,0|2,0,0]=4 249 B11R1.4 OCCOCC[n+]1ccsc1 34a_200000100414_100000211926 [1,0,1,0,0,0|2,0,0]=4 250 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [1,0,1,0,0,0|1,0,0]=3 251 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [1,0,1,0,0,0|2,0,0]=4 253 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [1,0,1,0,0,0|2,0,0]=4 254 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [1,0,1,0,0,0|2,0,0]=4 255 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [1,0,1,0,0,0|2,0,0]=4 256 B11R1.2 CCNC(CC)c1ccc[nH]1 269862a_100015525214_200000242565 [1,0,1,0,0,0|2,0,0]=4 257 B11R1.2 CCNC(CC)c1ccco1 2230a_100015202707_100000210202 [1,0,1,0,0,0|1,1,0]=4 258 B11R1.2 CCNC(CC)c1ccco1 269862a_100015525214_100000749595 [1,0,1,0,0,0|1,1,0]=4 259 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [1,0,1,0,0,0|1,0,0]=3 260 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [1,0,1,0,0,0|1,0,0]=3 261 B11R1.2 CCNC(CC)c1nccs1 2230a_103436540099_100000210202 [1,0,1,0,0,0|2,0,0]=4 262 B11R1.2 CCNC(CC)c1nccs1 269862a_100015525214_100000031915 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [1,0,1,0,0,0|0,1,0]=3 265 B11R1.2 CCOC(CN)c1ccsc1 34a_100000758718_100000210202 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.2 NCC(OCF)c1ccco1 34a_100000738650_100015361967 [1,0,1,0,0,0|1,1,0]=4 267 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [1,0,1,0,0,0|1,0,0]=3 268 B11R1.18 CCCCc1sccc1CN 271570a_100020621405_100000727803 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [1,0,1,0,0,0|1,0,0]=3 270 B11R1.18 CCCSc1sccc1CC 62a_100000210303_200009875468 [1,0,1,0,0,0|2,0,0]=4 271 B11R1.18 CCCSc1sccc1CC 62a_200009875468_100000210303 [1,0,1,0,0,0|2,0,0]=4 272 B11R1.18 CCCSc1sccc1CO 62a_100000210303_100009816922 [1,0,1,0,0,0|2,0,0]=4 273 B11R1.18 CCCSc1sccc1CO 62a_100009816922_100000210303 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.18 CCc1ccsc1SCCF 62a_100011217306_200009875468 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.18 CCc1ccsc1SCCF 62a_200009875468_100011217306 [1,0,1,0,0,0|2,0,0]=4 276 B11R1.18 CCc1ccsc1SCCO 62a_100000211926_200009875468 [1,0,1,0,0,0|2,0,0]=4 277 B11R1.18 CCc1ccsc1SCCO 62a_200009875468_100000211926 [1,0,1,0,0,0|2,0,0]=4 278 B11R1.18 OCCSc1sccc1CO 62a_100000211926_100009816922 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.18 OCCSc1sccc1CO 62a_100009816922_100000211926 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.18 OCc1ccsc1SCCF 62a_100009816922_100011217306 [1,0,1,0,0,0|2,0,0]=4 281 B11R1.18 OCc1ccsc1SCCF 62a_100011217306_100009816922 [1,0,1,0,0,0|2,0,0]=4 282 B13R1.27 CCCCOCCc1csc(n1)C 34a_100000210227_100000695623 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.27 CCCCOCCc1csc(n1)C 34a_100011934828_100000210210 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.27 CCCCOCCc1csc(n1)C 7a_100000210227_100000695623 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.27 CCCCOCSc1csc(c1)C 62a_100000759034_100011995733 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.27 CCCCOCSc1csc(c1)C 62a_100011995733_100000759034 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.27 Cc1nc(cs1)CCOCCCBr 34a_100011217188_100000695623 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.27 Cc1nc(cs1)CCOCCCCl 34a_100000230001_100000695623 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.27 Cc1nc(cs1)CCOCCCF 34a_100000759539_100000695623 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.27 Cc1nc(cs1)CCOCCCF 34a_100011934828_100011934791 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.27 Cc1nc(cs1)CCOCCCN 34a_100000182051_100000695623 [0,1,1,0,0,0|1,0,0]=3 292 B13R1.27 Cc1nc(cs1)CCOCCCO 34a_100011934828_100000230001 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.27 Cc1nc(cs1)CCOCCON 34a_100000700252_100000695623 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.48 CCCCNCC(O)c1ccsc1 2230a_100000758718_100000210211 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.48 CCCCNCC(O)c1ccsc1 34a_100000758718_100000210210 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.48 CCCCOCC(=O)c1ccsc1 34a_100000210227_100011219462 [0,1,1,0,0,0|1,0,1]=4 297 B13R1.48 CCCCOCC(=O)c1ccsc1 7a_100000210227_100011219462 [0,1,1,0,0,0|1,0,1]=4 298 B13R1.48 NCCCOCC(=O)c1ccsc1 34a_100000182051_100011219462 [0,1,1,0,0,0|0,0,1]=3 299 B13R1.48 NOCCOCC(=O)c1ccsc1 34a_100000700252_100011219462 [0,1,1,0,0,0|1,0,1]=4 300 B13R1.48 O=C(COCCCBr)c1ccsc1 34a_100011217188_100011219462 [0,1,1,0,0,0|1,0,1]=4 301 B13R1.48 O=C(COCCCCl)c1ccsc1 34a_100000230001_100011219462 [0,1,1,0,0,0|1,0,1]=4 302 B13R1.48 O=C(COCCCF)c1ccsc1 34a_100000759539_100011219462 [0,1,1,0,0,0|1,0,1]=4 303 B13R1.48 OC(CNCCCF)c1ccsc1 2230a_100000758718_100011934791 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.48 OC(CNCCCF)c1ccsc1 34a_100000758718_100011934791 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.48 OCCCNCC(O)c1ccsc1 2230a_100000758718_100000230001 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.48 OCCCNCC(O)c1ccsc1 34a_100000758718_100000230001 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.119 BrCCCCCOCc1ccsc1 34a_100000746331_100011261437 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.119 BrCCCCCOCc1ccsc1 7a_100000746331_100011261437 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.119 C#CCCCNCCc1ccsc1 2230a_100000692642_100000731252 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.119 C#CCCCNCCc1ccsc1 34a_100000692642_100000695029 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.119 C#CCCCOCC[n+]1ccsc1 34a_200000100414_100000695029 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.119 C#CCCCOCCc1ccsc1 34a_100000748821_100000695029 [0,1,1,0,0,0|1,0,0]=3 313 B13R1.119 C#CCCOCCCc1ccsc1 34a_200000699776_100000688953 [0,1,1,0,0,0|1,0,1]=4 314 B13R1.119 C#CCCOCCCc1ccsc1 7a_200000699776_100000688953 [0,1,1,0,0,0|1,0,1]=4 315 B13R1.119 C=CCCCNCCc1ccsc1 2230a_100000692642_100011713584 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.119 C=CCCCNCCc1ccsc1 34a_100000692642_100000757094 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.119 C=CCCCOCC[n+]1ccsc1 34a_200000100414_100000757094 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.119 C=CCCCOCCc1ccsc1 34a_100000748821_100000757094 [0,1,1,0,0,0|1,0,0]=3 319 B13R1.119 C=CCCOCCCc1ccsc1 34a_200000699776_100000754431 [0,1,1,0,0,0|1,0,1]=4 320 B13R1.119 C=CCCOCCCc1ccsc1 7a_200000699776_100000754431 [0,1,1,0,0,0|1,0,1]=4 321 B13R1.119 C=COCCOCCc1ccsc1 34a_100000748821_100000039644 [0,1,1,0,0,0|1,0,1]=4 322 B13R1.119 CC/C=C\COCCc1ccsc1 34a_100000748821_100103147603 [0,1,1,0,0,0|1,0,1]=4 323 B13R1.119 CCC#CCOCCc1ccsc1 34a_100000748821_100009813939 [0,1,1,0,0,0|1,0,1]=4 324 B13R1.119 CCCCCCCOc1ccsc1 34a_100000106738_100000210614 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.119 CCCCCCCOc1ccsc1 7a_100000106738_100000210614 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.119 CCCCCCCSc1ccsc1 62a_100000210614_100000738268 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.119 CCCCCCCSc1ccsc1 62a_100000738268_100000210316 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.119 CCCCCCNCc1ccsc1 207a_100000210581_100000188534 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000186416_100000210314 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000210581_100011261437 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.119 CCCCCCNCc1ccsc1 270004a_100000210581_100000188534 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.119 CCCCCCNCc1ccsc1 34a_100000186416_100000210314 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.119 CCCCCCOCc1ccsc1 34a_100000210259_100011261437 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.119 CCCCCCOCc1ccsc1 34a_100011215551_100000210314 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.119 CCCCCCOCc1ccsc1 7a_100000210259_100011261437 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.119 CCCCCCSCc1ccsc1 62a_100000210314_100011233845 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.119 CCCCCCSCc1ccsc1 62a_100011261437_100000210757 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.119 CCCCCNCCc1ccsc1 2230a_100000692642_100000210326 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.119 CCCCCNCCc1ccsc1 34a_100000692642_100000718602 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.119 CCCCCOCC[n+]1ccsc1 34a_200000100414_100000718602 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.119 CCCCCOCCc1ccsc1 34a_100000748821_100000718602 [0,1,1,0,0,0|1,0,0]=3 342 B13R1.119 CCCCOCCCc1ccsc1 34a_200000699776_100000210210 [0,1,1,0,0,0|1,0,0]=3 343 B13R1.119 CCCCOCCCc1ccsc1 7a_200000699776_100000210211 [0,1,1,0,0,0|1,0,0]=3 344 B13R1.119 CCCCOCCOc1ccsc1 34a_100000106738_100000743108 [0,1,1,0,0,0|1,0,0]=3 345 B13R1.119 CCCCOCCOc1ccsc1 7a_100000106738_100000743108 [0,1,1,0,0,0|1,0,0]=3 346 B13R1.119 CCCCOCCSc1ccoc1 62a_100000743108_100011215275 [0,1,1,0,0,0|1,1,0]=4 347 B13R1.119 CCCCOCCSc1ccoc1 62a_100011215275_100000743108 [0,1,1,0,0,0|1,1,0]=4 348 B13R1.119 CCCCOCCSc1ccsc1 62a_100000738268_100000743108 [0,1,1,0,0,0|1,0,0]=3 349 B13R1.119 CCCCOCCSc1ccsc1 62a_100000743108_100000738268 [0,1,1,0,0,0|1,0,0]=3 350 B13R1.119 CCCCOCCSc1ccsn1 62a_100000743108_100009818082 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.119 CCCCOCCSc1ccsn1 62a_100009818082_100000743108 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.119 CCCCOCCSc1cnsc1 62a_100000743108_100009815736 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.119 CCCCOCCSc1cnsc1 62a_100009815736_100000743108 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.119 CCCCOCCSc1cscn1 62a_100000743108_100000751502 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.119 CCCCOCCSc1cscn1 62a_100000751502_100000743108 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.119 CCCCOCNCc1ccoc1 2230a_100015206860_100011995733 [0,1,1,0,0,0|1,1,0]=4 357 B13R1.119 CCCCOCNCc1ccoc1 34a_100015206860_100011995733 [0,1,1,0,0,0|1,1,0]=4 358 B13R1.119 CCCCOCNCc1ccsc1 2230a_100000186416_100011995733 [0,1,1,0,0,0|1,0,0]=3 359 B13R1.119 CCCCOCNCc1ccsc1 34a_100000186416_100011995733 [0,1,1,0,0,0|1,0,0]=3 360 B13R1.119 CCCCOCNCc1cscn1 2230a_100015185402_100011995733 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.119 CCCCOCOCc1ccoc1 34a_100011215357_100011995733 [0,1,1,0,0,0|1,1,0]=4 362 B13R1.119 CCCCOCOCc1ccsc1 34a_100011215551_100011995733 [0,1,1,0,0,0|1,0,0]=3 363 B13R1.119 CCCCOCSCc1ccsc1 62a_100011261437_100011995733 [0,1,1,0,0,0|1,0,0]=3 364 B13R1.119 CCCCOCSCc1ccsc1 62a_100011995733_100011233845 [0,1,1,0,0,0|1,0,0]=3 365 B13R1.119 CCCCOCSCc1cscn1 62a_100000205941_100011995733 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.119 CCCCOCSCc1cscn1 62a_100011995733_100000205941 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.119 CCOCCNCCc1ccsc1 2230a_100000692642_100011215890 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.119 CCOCCNCCc1ccsc1 34a_100000692642_100000210147 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.119 CCOCCOCC[n+]1ccsc1 34a_200000100414_100000210147 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.119 CCOCCOCCc1ccsc1 34a_100000748821_100000210147 [0,1,1,0,0,0|1,0,0]=3 371 B13R1.119 CCSCCNCCc1ccsc1 2230a_100000692642_100000757381 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.119 CCSCCNCCc1ccsc1 34a_100000692642_100000757381 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.119 CCSCCOCC[n+]1ccsc1 34a_200000100414_100000757381 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.119 CCSCCOCCc1ccsc1 34a_100000748821_100000757381 [0,1,1,0,0,0|1,0,0]=3 375 B13R1.119 CNCCCOCCc1cccs1 34a_100000213112_100000748579 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.119 COCCCNCCc1ccsc1 2230a_100000692642_100000740836 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.119 COCCCNCCc1ccsc1 34a_100000692642_100000740836 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.119 COCCCOCC[n+]1ccsc1 34a_200000100414_100000740836 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.119 COCCCOCCc1ccsc1 34a_100000748821_100000740836 [0,1,1,0,0,0|1,0,0]=3 380 B13R1.119 COCCOCCCc1ccsc1 34a_200000699776_100011201679 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.119 COCCOCCCc1ccsc1 7a_200000699776_100000233755 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.119 COCCOCCOc1ccsc1 34a_100000106738_100000695917 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.119 COCCOCCOc1ccsc1 7a_100000106738_100000695917 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.119 COCCOCCSc1ccsc1 62a_100000695917_100000738268 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.119 COCCOCCSc1ccsc1 62a_100000738268_100000695917 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.119 COCCOCNCc1ccsc1 2230a_100000186416_100000231047 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.119 COCCOCSCc1ccsc1 62a_100000231047_100011233845 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.119 COCCOCSCc1ccsc1 62a_100011261437_100000231047 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.119 CSCCOCCCc1ccsc1 34a_200000699776_100000212216 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.119 CSCCOCCCc1ccsc1 7a_200000699776_100000212216 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.119 ClCCCCCOCc1ccsc1 34a_100000746330_100011261437 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.119 ClCCCCCOCc1ccsc1 7a_100000746330_100011261437 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.119 FCCCCCCOc1ccsc1 34a_100000106738_100015922095 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.119 FCCCCCCOc1ccsc1 7a_100000106738_100015922095 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.119 FCCCCCCSc1ccsc1 62a_100000738268_100015922095 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.119 FCCCCCCSc1ccsc1 62a_100015922095_100000738268 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.119 FCCCCCNCc1ccsc1 2230a_100000186416_100000729378 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.119 FCCCCCNCc1ccsc1 34a_100000186416_100000729378 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.119 FCCCCCOCc1ccsc1 34a_100011215551_100000729378 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.119 FCCCCCSCc1ccsc1 62a_100000729378_100011233845 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.119 FCCCCCSCc1ccsc1 62a_100011261437_100000729378 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.119 FCCCCNCCc1ccsc1 2230a_100000692642_100000729493 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.119 FCCCCNCCc1ccsc1 34a_100000692642_100000729493 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.119 FCCCCOCC[n+]1ccsc1 34a_200000100414_100000729493 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.119 FCCCCOCCc1ccsc1 34a_100000748821_100000729493 [0,1,1,0,0,0|1,0,0]=3 406 B13R1.119 FCCCOCCCc1ccsc1 34a_200000699776_100011934791 [0,1,1,0,0,0|1,0,0]=3 407 B13R1.119 FCCCOCCCc1ccsc1 7a_200000699776_100011934791 [0,1,1,0,0,0|1,0,0]=3 408 B13R1.119 ICCCCCOCc1ccsc1 34a_200012148887_100011261437 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.119 ICCCCCOCc1ccsc1 7a_200012148887_100011261437 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.119 N#CCCCNCCc1ccsc1 2230a_100000692642_100000687738 [0,1,1,0,0,0|1,0,1]=4 411 B13R1.119 N#CCCOCCCc1ccsc1 7a_200000699776_100000184422 [0,1,1,0,0,0|0,0,2]=4 412 B13R1.119 NCCCCCOCc1ccsc1 34a_100000762737_100011261437 [0,1,1,0,0,0|1,0,0]=3 413 B13R1.119 NCCCCCOCc1cscn1 34a_100000762737_100000205941 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.119 NCCCCOCCc1cccs1 34a_100000750430_100000748579 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.119 NCCCOCCCc1cccs1 34a_100000182051_100010992444 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.119 NCCCOCCCn1cccc1 34a_100000182051_200009814367 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.119 NCCCOCCCn1ccnc1 34a_100000182051_100000756272 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.119 NCCOCCOCc1ccsc1 34a_100000211614_100011261437 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.119 O=CCCCNCCc1ccsc1 2230a_100000692642_200011292268 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.119 OCC#CCOCCc1ccsc1 34a_100000748821_200000047223 [0,1,1,0,0,0|1,0,1]=4 421 B13R1.119 OCCCCCCOc1ccsc1 34a_100000106738_100000766143 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.119 OCCCCCCOc1ccsc1 7a_100000106738_100000766143 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.119 OCCCCCCSc1ccsc1 62a_100000738268_100000766143 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.119 OCCCCCCSc1ccsc1 62a_100000766143_100000738268 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.119 OCCCCCNCc1ccsc1 207a_100000762737_100000188534 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.119 OCCCCCNCc1ccsc1 2230a_100000186416_100000746330 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.119 OCCCCCNCc1ccsc1 2230a_100000762737_100011261437 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.119 OCCCCCNCc1ccsc1 270004a_100000762737_100000188534 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.119 OCCCCCNCc1ccsc1 34a_100000186416_100000746330 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.119 OCCCCCNCc1ccsc1 34a_100000762737_100011261437 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.119 OCCCCCOCc1ccsc1 34a_100011215551_100000746330 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.119 OCCCCCSCc1ccsc1 62a_100000746330_100011233845 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.119 OCCCCCSCc1ccsc1 62a_100011261437_100000746330 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.119 OCCCCNCCc1ccsc1 2230a_100000692642_100000210776 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.119 OCCCCNCCc1ccsc1 34a_100000692642_100011216708 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.119 OCCCCOCC[n+]1ccsc1 34a_200000100414_100011216708 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.119 OCCCCOCCc1ccsc1 34a_100000748821_100011216708 [0,1,1,0,0,0|1,0,0]=3 438 B13R1.119 OCCCOCCCc1ccsc1 34a_200000699776_100000230001 [0,1,1,0,0,0|1,0,0]=3 439 B13R1.119 OCCCOCCCc1ccsc1 7a_200000699776_100011215043 [0,1,1,0,0,0|1,0,0]=3 440 B13R1.153 CCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210211 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.153 O=C(CCCF)CCc1ccsc1 1458a_100000195497_100011934791 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.153 O=C(CCCO)CCc1ccsc1 1458a_100000195497_100011215043 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.156 CC(Cc1ccsc1)NCCCF 2230a_100000743546_100011934791 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.156 CC(Cc1ccsc1)NCCCF 34a_100000743546_100011934791 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.156 CC(Cc1ccsc1)NCCCO 2230a_100000743546_100000230001 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.156 CC(Cc1ccsc1)NCCCO 34a_100000743546_100000230001 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.156 CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210211 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.156 CCCCNC(C)Cc1ccsc1 34a_100000743546_100000210210 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.343 C=C(C)CCOCCc1ccsc1 34a_100000748821_100000730704 [0,1,1,0,0,0|1,0,1]=4 450 B13R1.343 CC(C)CCNCCc1ccsc1 2230a_100000692642_100000210312 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.343 CC(C)CCNCCc1ccsc1 269862a_100000692642_100000185833 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.343 CC(C)CCNCCc1ccsc1 34a_100000692642_100000210312 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.343 CC(C)CCOCC[n+]1ccsc1 34a_200000100414_100000210312 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.343 CC(C)CCOCCc1ccsc1 34a_100000748821_100000210312 [0,1,1,0,0,0|1,0,0]=3 455 B13R1.343 CC(C)OCOCCc1ccsc1 34a_100000748821_100000709892 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.343 CC(O)CCNCCc1ccsc1 2230a_100000692642_100012276601 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.343 CC(O)CCNCCc1ccsc1 34a_100000692642_100012276601 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.343 CC(O)CCOCC[n+]1ccsc1 34a_200000100414_100012276601 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.343 CC(O)CCOCCc1ccsc1 34a_100000748821_100012276601 [0,1,1,0,0,0|1,0,0]=3 460 B13R1.343 C[C@@H](N)CCOCCc1cccs1 34a_100000706166_100000748579 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.343 NC(=O)CCNCCc1ccsc1 2230a_100000692642_100000744528 [0,1,1,0,0,0|1,0,1]=4 462 B13R1.343 NC(=O)CCNCCc1ccsc1 34a_100000692642_100000731001 [0,1,1,0,0,0|1,0,1]=4 463 B13R1.343 NC(=O)CCOCC[n+]1ccsc1 34a_200000100414_100000731001 [0,1,1,0,0,0|1,0,1]=4 464 B13R1.343 NC(=O)CCOCCc1ccsc1 34a_100000748821_100000731001 [0,1,1,0,0,0|0,0,1]=3 465 B13R1.404 CC(CCN)COCc1ccsc1 34a_106354213184_100011261437 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.404 CC(CCO)NCCc1ccsc1 2230a_100000692642_100009893172 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.404 CC(CCO)NCCc1ccsc1 34a_100000692642_100009893172 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.404 CC(CCO)OCC[n+]1ccsc1 34a_200000100414_100009893172 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.404 CC(CCO)OCCc1ccsc1 34a_100000748821_100009893172 [0,1,1,0,0,0|1,0,0]=3 470 B13R1.404 CCCC(C)NCCc1ccsc1 2230a_100000692642_100000766640 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.404 CCCC(C)NCCc1ccsc1 270004a_100000692642_100000211909 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.404 CCCC(C)NCCc1ccsc1 34a_100000692642_100000766640 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.404 CCCC(C)OCC[n+]1ccsc1 34a_200000100414_100000766640 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.404 CCCC(C)OCCc1ccsc1 34a_100000748821_100000766640 [0,1,1,0,0,0|1,0,0]=3 475 B13R1.404 COCC(C)OCCc1ccsc1 34a_100000748821_100000765312 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.536 C=CC(O)COCCc1ccsc1 34a_100000748821_100000730141 [0,1,1,0,0,0|1,0,1]=4 477 B13R1.536 CC(CN)COCCc1cccs1 34a_100000744482_100000748579 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.536 CCC(C)CNCCc1ccsc1 2230a_100000692642_100000748023 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.536 CCC(C)CNCCc1ccsc1 270004a_100000692642_100000243153 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.536 CCC(C)CNCCc1ccsc1 34a_100000692642_100000748023 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.536 CCC(C)COCC[n+]1ccsc1 34a_200000100414_100000748023 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.536 CCC(C)COCCc1ccsc1 34a_100000748821_100000748023 [0,1,1,0,0,0|1,0,0]=3 483 B13R1.536 CCC(O)CNCCc1ccsc1 2230a_100000692642_100011218378 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.536 CCC(O)CNCCc1ccsc1 34a_100000692642_100011218378 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.536 CCC(O)COCC[n+]1ccsc1 34a_200000100414_100011218378 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.536 CCC(O)COCCc1ccsc1 34a_100000748821_100011218378 [0,1,1,0,0,0|1,0,0]=3 487 B13R1.536 CC[C@H](C)CNCCc1ccsc1 2230a_100000692642_100009816398 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.536 CC[C@H](C)CNCCc1ccsc1 34a_100000692642_100009816398 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.536 CC[C@H](C)COCC[n+]1ccsc1 34a_200000100414_100009816398 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.536 CC[C@H](C)COCCc1ccsc1 34a_100000748821_100009816398 [0,1,1,0,0,0|1,0,0]=3 491 B13R1.536 C[C@@H](CO)CNCCc1ccsc1 2230a_100000692642_100000059175 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.536 C[C@@H](CO)CNCCc1ccsc1 34a_100000692642_100000059175 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.536 C[C@@H](CO)COCC[n+]1ccsc1 34a_200000100414_100000059175 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.536 C[C@@H](CO)COCCc1ccsc1 34a_100000748821_100000059175 [0,1,1,0,0,0|1,0,0]=3 495 B13R1.536 NC[C@@H](F)COCCc1cccs1 34a_100015665980_100000748579 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.536 OCC(O)CNCCc1ccsc1 2230a_100000692642_100011219619 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.536 OCC(O)CNCCc1ccsc1 34a_100000692642_100011219619 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.536 OCC(O)COCC[n+]1ccsc1 34a_200000100414_100011219619 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.536 OCC(O)COCCc1ccsc1 34a_100000748821_100011219619 [0,1,1,0,0,0|1,0,0]=3 500 B13R1.536 OC[C@H](O)CNCCc1ccsc1 2230a_100000692642_100009815848 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.536 OC[C@H](O)CNCCc1ccsc1 34a_100000692642_100009815848 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.536 OC[C@H](O)COCC[n+]1ccsc1 34a_200000100414_100009815848 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.536 OC[C@H](O)COCCc1ccsc1 34a_100000748821_100009815848 [0,1,1,0,0,0|1,0,0]=3 504 B13R1.536 O[C@@H](CF)CNCCc1ccsc1 2230a_100000692642_100015614560 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.536 O[C@@H](CF)CNCCc1ccsc1 34a_100000692642_100015614560 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.536 O[C@@H](CF)COCC[n+]1ccsc1 34a_200000100414_100015614560 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.536 O[C@@H](CF)COCCc1ccsc1 34a_100000748821_100015614560 [0,1,1,0,0,0|1,0,0]=3 508 B13R1.654 CCCCOCSc1ccsc1C 62a_100000684487_100011995733 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.654 CCCCOCSc1ccsc1C 62a_100011995733_100000684487 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.654 CCCCOCSc1cscc1Br 62a_100010143727_100011995733 [0,1,1,0,0,0|2,0,0]=4 511 B13R1.654 CCCCOCSc1cscc1Br 62a_100011995733_100010143727 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.654 CCCCOCSc1cscc1C 62a_100000759966_100011995733 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.654 CCCCOCSc1cscc1C 62a_100011995733_100000759966 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.654 Cc1ncsc1CCOCCCN 34a_100000182051_100000057103 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.654 NCCCCOCc1ccsc1Br 34a_100000750430_100009814289 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.654 NCCCCOCc1ccsc1Cl 34a_100000750430_100010167017 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.1344 CCCC(NCC)c1sccc1C 269862a_100015525214_200011510482 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.170 CCCC(NCCF)c1cccs1 2230a_200015187693_100011217306 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.170 CCCC(NCCF)c1cccs1 269862a_100000724931_100011218182 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.170 CCCC(NCCF)c1cccs1 34a_200015187693_100011217306 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.170 CCCC(NCCO)c1cccs1 2230a_200015187693_100000211926 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.170 CCCC(NCCO)c1cccs1 269862a_100000210304_100011218182 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.170 CCCC(NCCO)c1cccs1 34a_200015187693_100000211926 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.170 CCCC(NCOC)c1cccs1 2230a_200015187693_100000766300 [0,1,1,0,0,0|2,0,0]=4 525 B13R1.170 CCCC(NCSC)c1cccs1 2230a_200015187693_100011218213 [0,1,1,0,0,0|2,0,0]=4 526 B13R1.170 CCCC(NCSC)c1cccs1 34a_200015187693_100011218213 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.170 CCCCC(NCC)c1cccs1 269862a_100015525214_200011267864 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.170 CCCNC(CCC)c1cccs1 2230a_200015187693_100000210303 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.170 CCCNC(CCC)c1cccs1 269862a_100020643023_100011218182 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.170 CCCNC(CCC)c1cccs1 34a_200015187693_100000210303 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.397 CCCC(NCC)c1ccc(s1)C 269862a_100015525214_200011267947 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.397 CCCC(NCC)c1ccc(s1)Cl 269862a_100015525214_200011203525 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.403 CCCC(NC(C)C)c1cccs1 2230a_200015187693_100000210206 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.403 CCCC(NC(C)C)c1cccs1 34a_200015187693_100000210206 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.2800 CCc1ccsc1[C@@H](N)CC(C)C 271570a_100015190218_200009875468 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.579 CCCCc1ccsc1CCCC 271570a_100020621405_100010071534 [0,1,1,0,0,0|2,0,0]=4 537 B13R2.468 CCCNC1CCc2c1scc2 269862a_100020643023_100000080523 [0,1,0,0,1,0|1,0,0]=3 538 B13R2.468 FCCNC1CCc2c1scc2 269862a_100000724931_100000080523 [0,1,0,0,1,0|1,0,0]=3 539 B13R2.468 OCCNC1CCc2c1scc2 269862a_100000210304_100000080523 [0,1,0,0,1,0|1,0,0]=3 540 B15R2.18471 CCNCC1OCCc2c1cccc2 2230a_100000755408_100000210202 [0,1,0,0,0,1|2,0,0]=4 541 B15R2.18471 CCNCC1OCCc2c1cccc2 34a_100000755408_100000210202 [0,1,0,0,0,1|2,0,0]=4 542 B15R2.18471 FCNCC1OCCc2c1cccc2 34a_100000755408_100015361967 [0,1,0,0,0,1|2,0,0]=4 543 B13R2.2380 c1c[n+](cs1)CCOCC2CC2 34a_200000100414_100000742324 [0,0,1,1,0,0|2,0,0]=4 544 B13R2.2380 c1c[n+](cs1)CCOCC2CO2 34a_200000100414_102125554688 [0,0,1,1,0,0|2,0,0]=4 545 B13R2.2380 c1cc(cs1)CCNCC2CC2 2230a_100000692642_100000742324 [0,0,1,1,0,0|2,0,0]=4 546 B13R2.2380 c1cc(cs1)CCNCC2CC2 269862a_100000692642_100000741477 [0,0,1,1,0,0|2,0,0]=4 547 B13R2.2380 c1cc(cs1)CCNCC2CC2 34a_100000692642_100000742324 [0,0,1,1,0,0|2,0,0]=4 548 B13R2.2380 c1cc(cs1)CCNCC2CO2 2230a_100000692642_100011216344 [0,0,1,1,0,0|2,0,0]=4 549 B13R2.2380 c1cc(cs1)CCNCC2CO2 34a_100000692642_102125554688 [0,0,1,1,0,0|2,0,0]=4 550 B13R2.2380 c1cc(cs1)CCOCC2CC2 34a_100000748821_100000742324 [0,0,1,1,0,0|1,0,0]=3 551 B13R2.2380 c1cc(cs1)CCOCC2CO2 34a_100000748821_102125554688 [0,0,1,1,0,0|1,0,0]=3 552 B13R2.2381 c1c[n+](cs1)CCOC2CCC2 34a_200000100414_100000749161 [0,0,1,1,0,0|2,0,0]=4 553 B13R2.2381 c1cc(cs1)CCNC2CCC2 270004a_100000692642_100000241760 [0,0,1,1,0,0|2,0,0]=4 554 B13R2.2381 c1cc(cs1)CCNC2CCC2 34a_100000692642_100000749161 [0,0,1,1,0,0|2,0,0]=4 555 B13R2.2381 c1cc(cs1)CCOC2CCC2 34a_100000748821_100000749161 [0,0,1,1,0,0|1,0,0]=3 556 B13R2.2381 c1cc(cs1)CCOC2COC2 34a_100000748821_100009818527 [0,0,1,1,0,0|2,0,0]=4 557 B13R2.15 Cc1ccsc1C2=CCNCC2 271570a_100000731432_100000742657 [0,0,1,1,0,0|1,0,1]=4 558 B13R2.777 CCNC(c1cccs1)C2CC2 269862a_100015525214_100000742331 [0,0,1,1,0,0|2,0,0]=4 559 B13R2.2441 CCCCc1sccc1C2CC2 271570a_100020621405_100010071141 [0,0,1,1,0,0|2,0,0]=4 560 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [1,0,0,0,1,0|1,0,0]=3 561 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,0,1,0,0,1|2,0,0]=4 562 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,0,1,0,0,1|2,0,0]=4 563 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,0,1,0,0,1|2,0,0]=4 564 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,0,1,0,0,1|2,0,0]=4 565 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,0,1,0,0,1|2,0,0]=4 566 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,0,1,0,0,1|2,0,0]=4 567 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,0,1,0,0,1|2,0,0]=4 568 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,0,1,0,0,1|2,0,0]=4 569 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,0,1,0,0,1|2,0,0]=4 570 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,0,1,0,0,1|2,0,0]=4 571 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,0,1,0,0,1|2,0,0]=4 572 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,0,1,0,0,1|2,0,0]=4 573 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [0,0,1,0,0,1|2,0,0]=4 574 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,0,1,0,0,1|2,0,0]=4 575 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,0,1,0,0,1|2,0,0]=4 576 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,0,1,0,0,1|2,0,0]=4 577 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,0,1,0,0,1|2,0,0]=4 578 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [0,0,1,0,0,1|2,0,0]=4 579 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,0,1,0,0,1|2,0,0]=4 580 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [0,0,1,0,0,1|2,0,0]=4 581 B13R1.28 FCCCOCCc1cnccn1 34a_100011349526_100011934791 [0,0,1,0,0,1|2,0,0]=4 582 B13R1.28 FCCCOCCc1cncnc1 34a_100011709255_100011934791 [0,0,1,0,0,1|2,0,0]=4 583 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,0,1,0,0,1|1,0,0]=3 584 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [0,0,1,0,0,1|2,0,0]=4 585 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,0,1,0,0,1|2,0,0]=4 586 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,0,1,0,0,1|2,0,0]=4 587 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [0,0,1,0,0,1|2,0,0]=4 588 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,0,1,0,0,1|2,0,0]=4 589 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [0,0,1,0,0,1|2,0,0]=4 590 B13R1.28 OCCCOCCc1cnccn1 34a_100011349526_100000230001 [0,0,1,0,0,1|2,0,0]=4 591 B13R1.28 OCCCOCCc1cncnc1 34a_100011709255_100000230001 [0,0,1,0,0,1|2,0,0]=4 592 B13R1.184 CCCC(CC)Sc1sccc1C 62a_100010247149_100011219200 [0,0,1,0,0,1|2,0,0]=4 593 B13R1.184 CCCC(CC)Sc1sccc1C 62a_100011219200_100010247149 [0,0,1,0,0,1|2,0,0]=4 594 B13R1.389 CCCC(CCC)Sc1cccs1 62a_100011215356_200011218217 [0,0,1,0,0,1|2,0,0]=4 595 B13R1.389 CCCC(CCC)Sc1cccs1 62a_200011218217_100011215356 [0,0,1,0,0,1|2,0,0]=4 596 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,0,1,0,0,1|2,0,0]=4 597 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,0,1,0,0,1|2,0,0]=4 598 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,0,1,0,0,1|1,0,0]=3 599 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,0,1,0,0,1|2,0,0]=4 600 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,0,1,0,0,1|2,0,0]=4 601 B13R1.398 NCCC(OCF)c1ccccc1 34a_100000763605_100015361967 [0,0,1,0,0,1|2,0,0]=4 602 B13R1.443 CCCC(C)Sc1sccc1CC 62a_100000766640_200009875468 [0,0,1,0,0,1|2,0,0]=4 603 B13R1.443 CCCC(C)Sc1sccc1CC 62a_200009875468_100000766640 [0,0,1,0,0,1|2,0,0]=4 604 B13R1.443 CCc1ccsc1SC(C)CCO 62a_100009893172_200009875468 [0,0,1,0,0,1|2,0,0]=4 605 B13R1.443 CCc1ccsc1SC(C)CCO 62a_200009875468_100009893172 [0,0,1,0,0,1|2,0,0]=4