0 B12R1.36 C#CCOC(CN)c1ccco1 34a_100000738650_100000184674 [0,0,1,0,0,0|0,1,2]=4 1 B12R1.36 C=CCOC(CN)c1ccco1 34a_100000738650_100015514636 [0,0,1,0,0,0|0,1,2]=4 2 B12R1.36 CCC(NCCF)c1cccs1 2230a_100000743277_100011217306 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.36 CCC(NCCF)c1cccs1 269862a_100000724931_100000211688 [0,0,1,0,0,0|3,0,0]=4 4 B12R1.36 CCC(NCCO)c1cccs1 2230a_100000743277_100000211926 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.36 CCC(NCCO)c1cccs1 269862a_100000210304_100000211688 [0,0,1,0,0,0|3,0,0]=4 6 B12R1.36 CCC(NCOC)c1cccs1 2230a_100000743277_100000766300 [0,0,1,0,0,0|3,0,0]=4 7 B12R1.36 CCC(NCSC)c1cccs1 2230a_100000743277_100011218213 [0,0,1,0,0,0|3,0,0]=4 8 B12R1.36 CCCCC(NC)c1cccs1 269862a_106832991636_200011267864 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.36 CCCNC(CC)c1ccc[nH]1 269862a_100020643023_200000242565 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.36 CCCNC(CC)c1ccco1 2230a_100015202707_100000210303 [0,0,1,0,0,0|2,1,0]=4 11 B12R1.36 CCCNC(CC)c1ccco1 269862a_100020643023_100000749595 [0,0,1,0,0,0|2,1,0]=4 12 B12R1.36 CCCNC(CC)c1cccs1 2230a_100000743277_100000210303 [0,0,1,0,0,0|2,0,0]=3 13 B12R1.36 CCCNC(CC)c1cccs1 269862a_100020643023_100000211688 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.36 CCCNC(CC)c1nccs1 2230a_103436540099_100000210303 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.36 CCCNC(CC)c1nccs1 269862a_100020643023_100000031915 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.36 CCCNC(CO)c1cccs1 2230a_100102422791_100000210303 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.36 CCCN[C@@H](CO)c1nccs1 2230a_202495363701_100000210303 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [0,0,1,0,0,0|0,1,0]=2 19 B12R1.36 CCCOC(CN)c1ccsc1 34a_100000758718_100000210303 [0,0,1,0,0,0|2,0,0]=3 20 B12R1.36 COCNC(CO)c1cccs1 2230a_100102422791_100000766300 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.36 CSCNC(CO)c1cccs1 2230a_100102422791_100011218213 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.36 CSCOC(CN)c1ccco1 34a_100000738650_100011218213 [0,0,1,0,0,0|1,1,0]=3 23 B12R1.36 CSCOC(CN)c1ccsc1 34a_100000758718_100011218213 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.36 NCC(OCC=O)c1ccco1 34a_100000738650_200009817547 [0,0,1,0,0,0|1,1,1]=4 25 B12R1.36 NCC(OCCF)c1ccco1 34a_100000738650_100011217306 [0,0,1,0,0,0|1,1,0]=3 26 B12R1.36 NCC(OCCF)c1ccsc1 34a_100000758718_100011217306 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.36 NCC(OCCO)c1ccco1 34a_100000738650_100000211926 [0,0,1,0,0,0|1,1,0]=3 28 B12R1.36 NCC(OCCO)c1ccsc1 34a_100000758718_100000211926 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.36 OCC(NCCF)c1cccs1 2230a_100102422791_100011217306 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.36 OCCNC(CO)c1cccs1 2230a_100102422791_100000211926 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.37 BrCCCCOCc1ccsc1 34a_100011216708_100011261437 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.37 BrCCOCCCc1cccs1 34a_100000211926_100010992444 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.37 BrCCOCCCn1cccc1 34a_100000211926_200009814367 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.37 BrCCOCCCn1ccnc1 34a_100000211926_100000756272 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.37 C#CCOCCCc1ccsc1 34a_200000699776_100000184674 [0,0,1,0,0,0|1,0,1]=3 36 B12R1.37 C#CCOCCCc1ccsc1 7a_200000699776_100000038162 [0,0,1,0,0,0|1,0,1]=3 37 B12R1.37 C#CCOCCOc1ccsc1 34a_100000106738_100010402529 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.37 C#CCOCCOc1ccsc1 7a_100000106738_100010402529 [0,0,1,0,0,0|2,0,1]=4 39 B12R1.37 C#CCOCCSc1ccsc1 62a_100000738268_100010402529 [0,0,1,0,0,0|2,0,1]=4 40 B12R1.37 C#CCOCCSc1ccsc1 62a_100010402529_100000738268 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.37 C=CCOCCCc1ccsc1 34a_200000699776_100015514636 [0,0,1,0,0,0|1,0,1]=3 42 B12R1.37 C=CCOCCCc1ccsc1 7a_200000699776_100015514636 [0,0,1,0,0,0|1,0,1]=3 43 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,0,1,0,0,0|3,0,0]=4 48 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,0,1,0,0,0|3,0,0]=4 49 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,0,1,0,0,0|3,0,0]=4 57 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,0,1,0,0,0|1,0,0]=2 64 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,0,1,0,0,0|1,0,0]=2 65 B12R1.37 CCCOCCCc1cnoc1 34a_100011738005_100000210303 [0,0,1,0,0,0|2,1,0]=4 66 B12R1.37 CCCOCCCn1cccc1 34a_100000179399_100000210303 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.37 CCCOCCCn1cccc1 34a_100000210258_200009814367 [0,0,1,0,0,0|3,0,0]=4 68 B12R1.37 CCCOCCCn1cccc1 7a_100000179399_100000210303 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.37 CCCOCCCn1ccnc1 34a_100000210258_100000756272 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.37 CCCOCCCn1ccnc1 34a_100000240236_100000210303 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.37 CCCOCCOc1ccsc1 34a_100000106738_100011215938 [0,0,1,0,0,0|2,0,0]=3 72 B12R1.37 CCCOCCOc1ccsc1 7a_100000106738_100011215938 [0,0,1,0,0,0|2,0,0]=3 73 B12R1.37 CCCOCCSc1ccoc1 62a_100011215275_100011215938 [0,0,1,0,0,0|2,1,0]=4 74 B12R1.37 CCCOCCSc1ccoc1 62a_100011215938_100011215275 [0,0,1,0,0,0|2,1,0]=4 75 B12R1.37 CCCOCCSc1ccsc1 62a_100000738268_100011215938 [0,0,1,0,0,0|2,0,0]=3 76 B12R1.37 CCCOCCSc1ccsc1 62a_100011215938_100000738268 [0,0,1,0,0,0|2,0,0]=3 77 B12R1.37 CCCOCCSc1ccsn1 62a_100009818082_100011215938 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.37 CCCOCCSc1ccsn1 62a_100011215938_100009818082 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.37 CCCOCCSc1cnsc1 62a_100009815736_100011215938 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.37 CCCOCCSc1cnsc1 62a_100011215938_100009815736 [0,0,1,0,0,0|3,0,0]=4 81 B12R1.37 CCCOCCSc1cscn1 62a_100000751502_100011215938 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.37 CCCOCCSc1cscn1 62a_100011215938_100000751502 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.37 CSCOCCCc1ccsc1 34a_200000699776_100011218213 [0,0,1,0,0,0|2,0,0]=3 84 B12R1.37 ClCCCCOCc1ccsc1 34a_100000210776_100011261437 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.37 ClCCCCOCc1ccsc1 7a_100000210776_100011261437 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.37 FCCCCCOc1ccsc1 34a_100000106738_100000729378 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.37 FCCCCCOc1ccsc1 7a_100000106738_100000729378 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.37 FCCCCCSc1ccsc1 62a_100000729378_100000738268 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.37 FCCCCCSc1ccsc1 62a_100000738268_100000729378 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.37 FCCCCNCc1ccsc1 2230a_100000186416_100000729493 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.37 FCCCCNCc1ccsc1 34a_100000186416_100000729493 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.37 FCCCCOCc1ccsc1 34a_100011215551_100000729493 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.37 FCCCCOCc1ccsc1 34a_100011995726_100011261437 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.37 FCCCCOCc1ccsc1 7a_100011995726_100011261437 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.37 FCCCCSCc1ccsc1 62a_100000729493_100011233845 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.37 FCCCCSCc1ccsc1 62a_100011261437_100000729493 [0,0,1,0,0,0|3,0,0]=4 97 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.37 FCCOCCCc1cccs1 34a_100011713143_100011217306 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.37 FCCOCCCc1cccs1 7a_100011713143_100011217306 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [0,0,1,0,0,0|1,0,0]=2 103 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [0,0,1,0,0,0|1,0,0]=2 104 B12R1.37 FCCOCCCc1cnoc1 34a_100011738005_100011217306 [0,0,1,0,0,0|2,1,0]=4 105 B12R1.37 FCCOCCCn1cccc1 34a_100000179399_100011217306 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.37 FCCOCCCn1cccc1 7a_100000179399_100011217306 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.37 FCCOCCCn1ccnc1 34a_100000240236_100011217306 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.37 ICCCCOCc1ccsc1 34a_200012148704_100011261437 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.37 N#CCOCCCc1ccsc1 7a_200000699776_100011215382 [0,0,1,0,0,0|0,0,2]=3 110 B12R1.37 N#CCOCCOc1ccsc1 7a_100000106738_200000047693 [0,0,1,0,0,0|1,0,2]=4 111 B12R1.37 N#CCOCCSc1ccsc1 62a_100000738268_200000047693 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.37 N#CCOCCSc1ccsc1 62a_200000047693_100000738268 [0,0,1,0,0,0|1,0,2]=4 113 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [0,0,1,0,0,0|2,0,0]=3 114 B12R1.37 NCCCCOCc1cscn1 34a_100000750430_100000205941 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [0,0,1,0,0,0|2,0,0]=3 116 B12R1.37 NCCOCCCn1cccc1 34a_100000210304_200009814367 [0,0,1,0,0,0|2,0,0]=3 117 B12R1.37 NCCOCCCn1ccnc1 34a_100000210304_100000756272 [0,0,1,0,0,0|2,0,0]=3 118 B12R1.37 NCCOCCCn1cncn1 34a_100000210304_100102700105 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.37 O=CCOCCCc1ccsc1 34a_200000699776_200009817547 [0,0,1,0,0,0|1,0,1]=3 120 B12R1.37 O=CCOCCCc1ccsc1 7a_200000699776_200015260668 [0,0,1,0,0,0|1,0,1]=3 121 B12R1.37 OCCCCCOc1ccsc1 34a_100000106738_100000746330 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.37 OCCCCCOc1ccsc1 7a_100000106738_100000746330 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.37 OCCCCCSc1ccsc1 62a_100000738268_100000746330 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.37 OCCCCCSc1ccsc1 62a_100000746330_100000738268 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.37 OCCCCNCc1ccsc1 207a_100000750430_100000188534 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.37 OCCCCNCc1ccsc1 2230a_100000186416_100000210776 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.37 OCCCCNCc1ccsc1 2230a_100000750430_100011261437 [0,0,1,0,0,0|3,0,0]=4 128 B12R1.37 OCCCCNCc1ccsc1 270004a_100000750430_100000188534 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.37 OCCCCNCc1ccsc1 34a_100000186416_100011216708 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.37 OCCCCNCc1ccsc1 34a_100000750430_100011261437 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.37 OCCCCOCc1ccsc1 34a_100011215551_100011216708 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.37 OCCCCSCc1ccsc1 62a_100000210776_100011233845 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.37 OCCCCSCc1ccsc1 62a_100011261437_100000210776 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,0,1,0,0,0|3,0,0]=4 135 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,0,1,0,0,0|3,0,0]=4 136 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.37 OCCOCCCc1cccs1 34a_100011713143_100000211926 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.37 OCCOCCCc1cccs1 7a_100011713143_100000211926 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [0,0,1,0,0,0|1,0,0]=2 140 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [0,0,1,0,0,0|1,0,0]=2 141 B12R1.37 OCCOCCCc1cnoc1 34a_100011738005_100000211926 [0,0,1,0,0,0|2,1,0]=4 142 B12R1.37 OCCOCCCn1cccc1 34a_100000179399_100000211926 [0,0,1,0,0,0|3,0,0]=4 143 B12R1.37 OCCOCCCn1cccc1 7a_100000179399_100000211926 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.37 OCCOCCCn1ccnc1 34a_100000240236_100000211926 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.37 OCCOCCOc1ccsc1 34a_100000106738_100000692535 [0,0,1,0,0,0|2,0,0]=3 146 B12R1.37 OCCOCCOc1ccsc1 7a_100000106738_100011215305 [0,0,1,0,0,0|2,0,0]=3 147 B12R1.37 OCCOCCSc1ccoc1 62a_100011215275_100011215305 [0,0,1,0,0,0|2,1,0]=4 148 B12R1.37 OCCOCCSc1ccoc1 62a_100011215305_100011215275 [0,0,1,0,0,0|2,1,0]=4 149 B12R1.37 OCCOCCSc1ccsc1 62a_100000738268_100011215305 [0,0,1,0,0,0|2,0,0]=3 150 B12R1.37 OCCOCCSc1ccsc1 62a_100011215305_100000738268 [0,0,1,0,0,0|2,0,0]=3 151 B12R1.37 OCCOCCSc1ccsn1 62a_100009818082_100011215305 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.37 OCCOCCSc1ccsn1 62a_100011215305_100009818082 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.37 OCCOCCSc1cnsc1 62a_100009815736_100011215305 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.37 OCCOCCSc1cnsc1 62a_100011215305_100009815736 [0,0,1,0,0,0|3,0,0]=4 155 B12R1.37 OCCOCCSc1cscn1 62a_100000751502_100011215305 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.37 OCCOCCSc1cscn1 62a_100011215305_100000751502 [0,0,1,0,0,0|3,0,0]=4 157 B12R1.134 CCCC(NC)c1sccc1C 269862a_106832991636_200011510482 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.320 CCCCc1ccsc1CNC 271570a_100020621405_100000767120 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.320 CCCCc1ccsc1SCC 62a_100000210202_100010071534 [0,0,1,0,0,0|3,0,0]=4 160 B12R1.320 CCCCc1ccsc1SCC 62a_100010071534_100000210202 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.320 CCCCc1ccsc1SCF 62a_100010071534_100015361967 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.320 CCCCc1ccsc1SCF 62a_100015361967_100010071534 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.320 CNCc1sccc1SCCO 62a_100000211926_100000767120 [0,0,1,0,0,0|3,0,0]=4 164 B12R1.320 CNCc1sccc1SCCO 62a_100000767120_100000211926 [0,0,1,0,0,0|3,0,0]=4 165 B12R2.315 CNC1CCCc2c1occ2 269862a_106832991636_100009877200 [0,0,0,0,1,0|2,1,0]=4 166 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [1,0,1,0,0,0|2,0,0]=4 167 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [1,0,1,0,0,0|2,0,0]=4 170 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [1,0,1,0,0,0|2,0,0]=4 171 B11R1.2 CCNC(CC)c1cccs1 2230a_100000743277_100000210202 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.2 CCNC(CC)c1cccs1 269862a_100015525214_100000211688 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.2 CCNC(CO)c1cccs1 2230a_100102422791_100000210202 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.2 CCOC(CN)c1ccco1 34a_100000738650_100000210202 [1,0,1,0,0,0|0,1,0]=3 175 B11R1.2 CCOC(CN)c1ccsc1 34a_100000758718_100000210202 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.2 NCC(OCF)c1ccco1 34a_100000738650_100015361967 [1,0,1,0,0,0|1,1,0]=4 177 B11R1.29 C#CCO[C@H](C)c1cccs1 7a_100000750433_100000038162 [1,0,1,0,0,0|0,0,2]=4 178 B11R1.29 C=CCO[C@H](C)c1cccs1 7a_100000750433_100015514636 [1,0,1,0,0,0|0,0,2]=4 179 B11R1.29 CC(NCCF)c1cccs1 2230a_100000703493_100011217306 [1,0,1,0,0,0|2,0,0]=4 180 B11R1.29 CC(NCCF)c1cccs1 269862a_100000724931_100000185736 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [1,0,1,0,0,0|2,0,0]=4 183 B11R1.29 CC(OCCF)c1nccs1 7a_100000751044_100011217306 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.29 CC(OCCO)c1nccs1 7a_100000751044_100000211926 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [1,0,1,0,0,0|1,0,0]=3 187 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [1,0,1,0,0,0|1,0,0]=3 188 B11R1.29 CCCNC(C)c1nccs1 2230a_100000725601_100000210303 [1,0,1,0,0,0|2,0,0]=4 189 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [1,0,1,0,0,0|1,1,0]=4 190 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [1,0,1,0,0,0|2,0,0]=4 192 B11R1.29 CCCOC(C)c1nccs1 7a_100000751044_100000210303 [1,0,1,0,0,0|1,0,0]=3 193 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [1,0,1,0,0,0|0,1,0]=3 194 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [1,0,1,0,0,0|0,1,0]=3 195 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [1,0,1,0,0,0|0,0,0]=2 196 B11R1.29 CCOCC(N)c1cccs1 34a_100102422791_100000210202 [1,0,1,0,0,0|2,0,0]=4 197 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [1,0,1,0,0,0|1,1,0]=4 200 B11R1.29 C[C@@H](OCC#N)c1cccs1 7a_100000750433_100011215382 [1,0,1,0,0,0|1,0,1]=4 201 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [1,0,1,0,0,0|1,0,1]=4 202 B11R1.29 C[C@@H](OCCF)c1cccs1 7a_100000750433_100011217306 [1,0,1,0,0,0|1,0,0]=3 203 B11R1.29 C[C@@H](OCCO)c1cccs1 7a_100000750433_100000211926 [1,0,1,0,0,0|1,0,0]=3 204 B11R1.29 C[C@H](OCCF)c1ccco1 34a_100000755270_100011217306 [1,0,1,0,0,0|1,1,0]=4 205 B11R1.29 C[C@H](OCCF)c1ccco1 7a_100000755270_100011217306 [1,0,1,0,0,0|1,1,0]=4 206 B11R1.29 C[C@H](OCCO)c1ccco1 34a_100000755270_100000211926 [1,0,1,0,0,0|1,1,0]=4 207 B11R1.29 C[C@H](OCCO)c1ccco1 7a_100000755270_100000211926 [1,0,1,0,0,0|1,1,0]=4 208 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.4 C#CCOCCc1ccsc1 34a_100000748821_100000184674 [1,0,1,0,0,0|1,0,1]=4 210 B11R1.4 C=CCOCCc1ccsc1 34a_100000748821_100015514636 [1,0,1,0,0,0|1,0,1]=4 211 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [1,0,1,0,0,0|2,0,0]=4 217 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [1,0,1,0,0,0|2,0,0]=4 223 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.4 CCCOCC[n+]1ccsc1 34a_200000100414_100000210303 [1,0,1,0,0,0|2,0,0]=4 229 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [1,0,1,0,0,0|1,0,0]=3 230 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,0,1,0,0,0|2,0,0]=4 231 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [1,0,1,0,0,0|0,0,0]=2 234 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [1,0,1,0,0,0|0,0,0]=2 235 B11R1.4 CCOCCCc1cnoc1 34a_100011738005_100000210202 [1,0,1,0,0,0|1,1,0]=4 236 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.4 CCOCCCn1ccnc1 34a_100000240236_100000210202 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.4 CCOCCCn1ccnc1 34a_100121572206_100000756272 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.4 CCOCCOc1ccsc1 34a_100000106738_100000210147 [1,0,1,0,0,0|1,0,0]=3 242 B11R1.4 CCOCCOc1ccsc1 7a_100000106738_100011215890 [1,0,1,0,0,0|1,0,0]=3 243 B11R1.4 CCOCCSc1ccoc1 62a_100000210147_100011215275 [1,0,1,0,0,0|1,1,0]=4 244 B11R1.4 CCOCCSc1ccoc1 62a_100011215275_100011215890 [1,0,1,0,0,0|1,1,0]=4 245 B11R1.4 CCOCCSc1ccsc1 62a_100000210147_100000738268 [1,0,1,0,0,0|1,0,0]=3 246 B11R1.4 CCOCCSc1ccsc1 62a_100000738268_100011215890 [1,0,1,0,0,0|1,0,0]=3 247 B11R1.4 CCOCCSc1ccsn1 62a_100000210147_100009818082 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.4 CCOCCSc1ccsn1 62a_100009818082_100011215890 [1,0,1,0,0,0|2,0,0]=4 249 B11R1.4 CCOCCSc1cnsc1 62a_100000210147_100009815736 [1,0,1,0,0,0|2,0,0]=4 250 B11R1.4 CCOCCSc1cnsc1 62a_100009815736_100011215890 [1,0,1,0,0,0|2,0,0]=4 251 B11R1.4 CCOCCSc1cscn1 62a_100000210147_100000751502 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.4 CCOCCSc1cscn1 62a_100000751502_100011215890 [1,0,1,0,0,0|2,0,0]=4 253 B11R1.4 CCOCSCc1ccsc1 62a_100000739092_100011233845 [1,0,1,0,0,0|1,0,0]=3 254 B11R1.4 CCOCSCc1ccsc1 62a_100011261437_100000739092 [1,0,1,0,0,0|1,0,0]=3 255 B11R1.4 CCOCSCc1cscn1 62a_100000205941_100000739092 [1,0,1,0,0,0|2,0,0]=4 256 B11R1.4 CCOCSCc1cscn1 62a_100000739092_100000205941 [1,0,1,0,0,0|2,0,0]=4 257 B11R1.4 CCSCCOc1ccsc1 34a_100000106738_100000757381 [1,0,1,0,0,0|1,1,0]=4 258 B11R1.4 CCSCCOc1ccsc1 7a_100000106738_100000757381 [1,0,1,0,0,0|1,1,0]=4 259 B11R1.4 CCSCCSc1ccsc1 62a_100000738268_100000757381 [1,0,1,0,0,0|1,1,0]=4 260 B11R1.4 CCSCCSc1ccsc1 62a_100000757381_100000738268 [1,0,1,0,0,0|1,1,0]=4 261 B11R1.4 CSCOCCc1ccsc1 34a_100000748821_100011218213 [1,0,1,0,0,0|2,0,0]=4 262 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [1,0,1,0,0,0|2,0,0]=4 267 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [1,0,1,0,0,0|2,0,0]=4 268 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [1,0,1,0,0,0|2,0,0]=4 269 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [1,0,1,0,0,0|2,0,0]=4 270 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [1,0,1,0,0,0|2,0,0]=4 271 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [1,0,1,0,0,0|2,0,0]=4 272 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [1,0,1,0,0,0|2,0,0]=4 273 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [1,0,1,0,0,0|2,0,0]=4 276 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [1,0,1,0,0,0|2,0,0]=4 277 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [1,0,1,0,0,0|2,0,0]=4 278 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.4 FCCOCC[n+]1ccsc1 34a_200000100414_100011217306 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [1,0,1,0,0,0|1,0,0]=3 281 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [1,0,1,0,0,0|1,0,0]=3 282 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [1,0,1,0,0,0|1,0,0]=3 283 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [1,0,1,0,0,0|1,0,0]=3 284 B11R1.4 NCCCOCc1cscn1 34a_100000182051_100000205941 [1,0,1,0,0,0|2,0,0]=4 285 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [1,0,1,0,0,0|2,0,0]=4 286 B11R1.4 NOCCOCc1ccsc1 34a_100000700252_100011261437 [1,0,1,0,0,0|2,0,0]=4 287 B11R1.4 O=CCOCCc1ccsc1 34a_100000748821_200009817547 [1,0,1,0,0,0|1,0,1]=4 288 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [1,0,1,0,0,0|2,0,0]=4 289 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [1,0,1,0,0,0|2,0,0]=4 290 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [1,0,1,0,0,0|2,0,0]=4 291 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [1,0,1,0,0,0|2,0,0]=4 292 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [1,0,1,0,0,0|2,0,0]=4 293 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [1,0,1,0,0,0|2,0,0]=4 294 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [1,0,1,0,0,0|2,0,0]=4 295 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [1,0,1,0,0,0|2,0,0]=4 296 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [1,0,1,0,0,0|2,0,0]=4 297 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [1,0,1,0,0,0|2,0,0]=4 298 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [1,0,1,0,0,0|2,0,0]=4 299 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [1,0,1,0,0,0|2,0,0]=4 300 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [1,0,1,0,0,0|2,0,0]=4 301 B11R1.4 OCCOCC[n+]1ccsc1 34a_200000100414_100000211926 [1,0,1,0,0,0|2,0,0]=4 302 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [1,0,1,0,0,0|1,0,0]=3 303 B11R1.199 CCNC(C)c1sccc1Br 269862a_100015525214_100000738688 [1,0,1,0,0,0|2,0,0]=4 304 B11R1.18 CCCCc1ccsc1CO 271570a_100020621405_100000702026 [1,0,1,0,0,0|2,0,0]=4 305 B11R1.18 CCCCc1ccsc1SC 271570a_100020621405_200010341309 [1,0,1,0,0,0|2,0,0]=4 306 B11R1.18 CCCCc1ccsc1SC 62a_100010071534_200000210301 [1,0,1,0,0,0|2,0,0]=4 307 B11R1.18 CCCCc1ccsc1SC 62a_200000210301_100010071534 [1,0,1,0,0,0|2,0,0]=4 308 B11R1.18 CCCCc1ccsc1S[13CH3] 62a_100010071534_200025704644 [1,0,1,0,0,0|2,0,0]=4 309 B11R1.18 CCCCc1ccsc1S[13CH3] 62a_200025704644_100010071534 [1,0,1,0,0,0|2,0,0]=4 310 B11R1.18 CSc1sccc1SCCO 62a_100000211926_200010341309 [1,0,1,0,0,0|2,0,0]=4 311 B11R1.18 CSc1sccc1SCCO 62a_200010341309_100000211926 [1,0,1,0,0,0|2,0,0]=4 312 B11R1.18 OCCSc1ccsc1CO 62a_100000211926_100000702026 [1,0,1,0,0,0|2,0,0]=4 313 B11R1.18 OCCSc1ccsc1CO 62a_100000702026_100000211926 [1,0,1,0,0,0|2,0,0]=4 314 B13R1.25 CCCNC(CC)c1ccc(s1)Br 269862a_100020643023_200011203577 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.25 CCCNC(CC)c1ccc(s1)C 269862a_100020643023_100011203523 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.25 CCCNC(CC)c1ccc(s1)Cl 269862a_100020643023_100000238488 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.118 C#CCCOC(CN)c1ccco1 34a_100000738650_100000688953 [0,1,1,0,0,0|0,1,1]=4 318 B13R1.118 C/C=C/COC(CN)c1ccco1 34a_100000738650_100102629194 [0,1,1,0,0,0|0,1,1]=4 319 B13R1.118 C=CCCOC(CN)c1ccco1 34a_100000738650_100000754431 [0,1,1,0,0,0|0,1,1]=4 320 B13R1.118 CC#CCOC(CN)c1ccco1 34a_100000738650_100000748600 [0,1,1,0,0,0|0,1,1]=4 321 B13R1.118 CC=CCOC(CN)c1ccco1 34a_100000738650_100000070051 [0,1,1,0,0,0|0,1,1]=4 322 B13R1.118 CCC(NCCCF)c1cccs1 2230a_100000743277_100011934791 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.118 CCC(NCCCF)c1cccs1 269862a_100015189416_100000211688 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.118 CCC(NCCCO)c1cccs1 2230a_100000743277_100000230001 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.118 CCC(NCCCO)c1cccs1 269862a_100000182051_100000211688 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.118 CCC(NCCOC)c1cccs1 2230a_100000743277_100011201679 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.118 CCC(NCCOC)c1cccs1 269862a_100000209980_100000211688 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.118 CCC(NCCSC)c1cccs1 2230a_100000743277_100000751147 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.118 CCC(NCCSC)c1cccs1 269862a_100020590264_100000211688 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.118 CCCCNC(CC)c1cccs1 2230a_100000743277_100000210211 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.118 CCCCNC(CC)c1cccs1 269862a_100000102301_100000211688 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.118 CCCCNC(CO)c1cccs1 2230a_100102422791_100000210211 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.118 CCCCOC(CN)c1ccco1 34a_100000738650_100000210210 [0,1,1,0,0,0|0,1,0]=3 334 B13R1.118 CCCCOC(CN)c1ccsc1 34a_100000758718_100000210210 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.118 COCCNC(CO)c1cccs1 2230a_100102422791_100011201679 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.118 COCCOC(CN)c1ccco1 34a_100000738650_100011201679 [0,1,1,0,0,0|0,1,0]=3 337 B13R1.118 COCCOC(CN)c1ccsc1 34a_100000758718_100011201679 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.118 CSCCNC(CO)c1cccs1 2230a_100102422791_100000751147 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.118 CSCCOC(CN)c1ccco1 34a_100000738650_100000212216 [0,1,1,0,0,0|0,1,0]=3 340 B13R1.118 CSCCOC(CN)c1ccsc1 34a_100000758718_100000212216 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.118 NCC(OCCCF)c1ccco1 34a_100000738650_100011934791 [0,1,1,0,0,0|0,1,0]=3 342 B13R1.118 NCC(OCCCF)c1ccsc1 34a_100000758718_100011934791 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.118 NCC(OCCCO)c1ccco1 34a_100000738650_100000230001 [0,1,1,0,0,0|0,1,0]=3 344 B13R1.118 NCC(OCCCO)c1ccsc1 34a_100000758718_100000230001 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.118 OCC(NCCCF)c1cccs1 2230a_100102422791_100011934791 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.118 OCCCNC(CO)c1cccs1 2230a_100102422791_100000230001 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.170 C=CCC(OCCC)c1ccco1 34a_100011729935_100000210303 [0,1,1,0,0,0|1,1,0]=4 348 B13R1.170 C=CCC(OCCC)c1ccco1 7a_100011729935_100000210303 [0,1,1,0,0,0|1,1,0]=4 349 B13R1.170 CCCCC(NCC)c1cccs1 269862a_100015525214_200011267864 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.170 CCCNC(CCC)c1cccs1 2230a_200015187693_100000210303 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.170 CCCNC(CCC)c1cccs1 269862a_100020643023_100011218182 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.170 CCCNC(CCC)c1cccs1 34a_200015187693_100000210303 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.413 C=C(C)COC(CN)c1ccco1 34a_100000738650_100000748629 [0,1,1,0,0,0|0,1,1]=4 354 B13R1.413 CC(C)CNC(CO)c1cccs1 2230a_100102422791_100000210760 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.413 CC(C)CNC(CO)c1cccs1 270004a_100102422791_100000210432 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.413 CC(C)COC(CN)c1ccco1 34a_100000738650_100000210624 [0,1,1,0,0,0|0,1,0]=3 357 B13R1.413 CC(C)COC(CN)c1ccsc1 34a_100000758718_100000210624 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.413 CC(O)CNC(CO)c1cccs1 2230a_100102422791_100011218427 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.413 CC(O)COC(CN)c1ccco1 34a_100000738650_100011218427 [0,1,1,0,0,0|0,1,0]=3 360 B13R1.413 CC(O)COC(CN)c1ccsc1 34a_100000758718_100011218427 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.413 CCC(NCC(C)C)c1cccs1 2230a_100000743277_100000210760 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.413 CCC(NCC(C)C)c1cccs1 269862a_100000210953_100000211688 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.413 CCC(NCC(C)C)c1cccs1 270004a_100000743277_100000210432 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.413 CCC(NCC(C)O)c1cccs1 2230a_100000743277_100011218427 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.413 CCC(NCC(C)O)c1cccs1 269862a_100000210904_100000211688 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.413 CCC(NC[C@@H](C)O)c1cccs1 2230a_100000743277_100009817552 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.413 C[C@@H](O)CNC(CO)c1cccs1 2230a_100102422791_100009817552 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.413 C[C@@H](O)COC(CN)c1ccco1 34a_100000738650_100009817552 [0,1,1,0,0,0|0,1,0]=3 369 B13R1.413 C[C@@H](O)COC(CN)c1ccsc1 34a_100000758718_100009817552 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.413 NCC(OCC(F)F)c1ccco1 34a_100000738650_100011934356 [0,1,1,0,0,0|1,1,0]=4 371 B13R1.2873 CC(CO)OC(CN)c1ccco1 34a_100000738650_100012180447 [0,1,1,0,0,0|1,1,0]=4 372 B13R1.2873 CCC(C)NC(CC)c1cccs1 2230a_100000743277_100000758301 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.2873 CCC(C)NC(CC)c1cccs1 269862a_100000209981_100000211688 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.2873 CCC(C)NC(CO)c1cccs1 2230a_100102422791_100000758301 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.2873 CCC(C)OC(CN)c1ccco1 34a_100000738650_100011215416 [0,1,1,0,0,0|0,1,0]=3 376 B13R1.2873 CCC(C)OC(CN)c1ccsc1 34a_100000758718_100011215416 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.27 CCCOCCSc1csc(c1)C 62a_100000759034_100011215938 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.27 CCCOCCSc1csc(c1)C 62a_100011215938_100000759034 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.27 Cc1cc(cs1)SCCOCCO 62a_100000759034_100011215305 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.27 Cc1cc(cs1)SCCOCCO 62a_100011215305_100000759034 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.119 BrCCCCCOCc1ccsc1 34a_100000746331_100011261437 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.119 BrCCCCCOCc1ccsc1 7a_100000746331_100011261437 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.119 BrCCOCCOCc1ccsc1 34a_100000692535_100011261437 [0,1,1,0,0,0|1,0,0]=3 384 B13R1.119 BrCCOCCOCc1ccsc1 7a_100000692535_100011261437 [0,1,1,0,0,0|1,0,0]=3 385 B13R1.119 BrCCOCCOCc1cscn1 34a_100000692535_100000205941 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.119 BrCCOCCOCc1cscn1 7a_100000692535_100000205941 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.119 C#CCCOCCCc1ccsc1 34a_200000699776_100000688953 [0,1,1,0,0,0|1,0,0]=3 388 B13R1.119 C#CCCOCCCc1ccsc1 7a_200000699776_100000688953 [0,1,1,0,0,0|1,0,0]=3 389 B13R1.119 C#CCOCCNCc1ccsc1 2230a_100000186416_100010402529 [0,1,1,0,0,0|1,0,1]=4 390 B13R1.119 C#CCOCCNCc1ccsc1 2230a_100000700922_100011261437 [0,1,1,0,0,0|1,0,1]=4 391 B13R1.119 C#CCOCCNCc1ccsc1 34a_100000186416_100010402529 [0,1,1,0,0,0|1,0,1]=4 392 B13R1.119 C#CCOCCNCc1ccsc1 34a_100000700922_100011261437 [0,1,1,0,0,0|1,0,1]=4 393 B13R1.119 C#CCOCCOCc1ccsc1 34a_100000054580_100011261437 [0,1,1,0,0,0|1,0,1]=4 394 B13R1.119 C#CCOCCOCc1ccsc1 34a_100011215551_100010402529 [0,1,1,0,0,0|1,0,1]=4 395 B13R1.119 C#CCOCCOCc1ccsc1 7a_100000054580_100011261437 [0,1,1,0,0,0|1,0,1]=4 396 B13R1.119 C#CCOCCSCc1ccsc1 62a_100010402529_100011233845 [0,1,1,0,0,0|1,0,1]=4 397 B13R1.119 C#CCOCCSCc1ccsc1 62a_100011261437_100010402529 [0,1,1,0,0,0|1,0,1]=4 398 B13R1.119 C/C=C/COCCCc1ccsc1 34a_200000699776_100102629194 [0,1,1,0,0,0|1,0,1]=4 399 B13R1.119 C/C=C/COCCCc1ccsc1 7a_200000699776_100102629194 [0,1,1,0,0,0|1,0,1]=4 400 B13R1.119 C=CCCOCCCc1ccsc1 34a_200000699776_100000754431 [0,1,1,0,0,0|1,0,0]=3 401 B13R1.119 C=CCCOCCCc1ccsc1 7a_200000699776_100000754431 [0,1,1,0,0,0|1,0,0]=3 402 B13R1.119 C=CCOCCOCc1ccsc1 34a_100000037705_100011261437 [0,1,1,0,0,0|1,0,1]=4 403 B13R1.119 C=CCOCCOCc1ccsc1 7a_100000037705_100011261437 [0,1,1,0,0,0|1,0,1]=4 404 B13R1.119 CC#CCOCCCc1ccsc1 34a_200000699776_100000748600 [0,1,1,0,0,0|1,0,1]=4 405 B13R1.119 CC#CCOCCCc1ccsc1 7a_200000699776_100000748600 [0,1,1,0,0,0|1,0,1]=4 406 B13R1.119 CC=CCOCCCc1ccsc1 34a_200000699776_100000070051 [0,1,1,0,0,0|1,0,1]=4 407 B13R1.119 CC=CCOCCCc1ccsc1 7a_200000699776_100000070051 [0,1,1,0,0,0|1,0,1]=4 408 B13R1.119 CCCCCCCOc1ccsc1 34a_100000106738_100000210614 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.119 CCCCCCCOc1ccsc1 7a_100000106738_100000210614 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.119 CCCCCCCSc1ccsc1 62a_100000210614_100000738268 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.119 CCCCCCCSc1ccsc1 62a_100000738268_100000210316 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.119 CCCCCCNCc1ccsc1 207a_100000210581_100000188534 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000186416_100000210314 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000210581_100011261437 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.119 CCCCCCNCc1ccsc1 270004a_100000210581_100000188534 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.119 CCCCCCNCc1ccsc1 34a_100000186416_100000210314 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.119 CCCCCCOCc1ccsc1 34a_100000210259_100011261437 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.119 CCCCCCOCc1ccsc1 34a_100011215551_100000210314 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.119 CCCCCCOCc1ccsc1 7a_100000210259_100011261437 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.119 CCCCCCSCc1ccsc1 62a_100000210314_100011233845 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.119 CCCCCCSCc1ccsc1 62a_100011261437_100000210757 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.119 CCCCCNCCc1ccsc1 2230a_100000692642_100000210326 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.119 CCCCCNCCc1ccsc1 34a_100000692642_100000718602 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.119 CCCCCOCCc1ccsc1 34a_100000748821_100000718602 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.119 CCCCOCCCc1ccsc1 34a_200000699776_100000210210 [0,1,1,0,0,0|1,0,0]=3 426 B13R1.119 CCCCOCCCc1ccsc1 7a_200000699776_100000210211 [0,1,1,0,0,0|1,0,0]=3 427 B13R1.119 CCCCOCCOc1ccsc1 34a_100000106738_100000743108 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.119 CCCCOCCOc1ccsc1 7a_100000106738_100000743108 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.119 CCCCOCCSc1ccsc1 62a_100000738268_100000743108 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.119 CCCCOCCSc1ccsc1 62a_100000743108_100000738268 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.119 CCCCOCNCc1ccsc1 2230a_100000186416_100011995733 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.119 CCCCOCNCc1ccsc1 34a_100000186416_100011995733 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.119 CCCCOCOCc1ccsc1 34a_100011215551_100011995733 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.119 CCCCOCSCc1ccsc1 62a_100011261437_100011995733 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.119 CCCCOCSCc1ccsc1 62a_100011995733_100011233845 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.119 CCCOCCNCc1ccoc1 207a_100161115042_100011215517 [0,1,1,0,0,0|1,1,0]=4 437 B13R1.119 CCCOCCNCc1ccoc1 2230a_100015206860_100011215938 [0,1,1,0,0,0|1,1,0]=4 438 B13R1.119 CCCOCCNCc1ccoc1 270004a_100161115042_100011215517 [0,1,1,0,0,0|1,1,0]=4 439 B13R1.119 CCCOCCNCc1ccoc1 34a_100015206860_100011215938 [0,1,1,0,0,0|1,1,0]=4 440 B13R1.119 CCCOCCNCc1ccsc1 207a_100161115042_100000188534 [0,1,1,0,0,0|1,0,0]=3 441 B13R1.119 CCCOCCNCc1ccsc1 2230a_100000186416_100011215938 [0,1,1,0,0,0|1,0,0]=3 442 B13R1.119 CCCOCCNCc1ccsc1 2230a_100161115042_100011261437 [0,1,1,0,0,0|1,0,0]=3 443 B13R1.119 CCCOCCNCc1ccsc1 270004a_100161115042_100000188534 [0,1,1,0,0,0|1,0,0]=3 444 B13R1.119 CCCOCCNCc1ccsc1 34a_100000186416_100011215938 [0,1,1,0,0,0|1,0,0]=3 445 B13R1.119 CCCOCCNCc1ccsc1 34a_100161115042_100011261437 [0,1,1,0,0,0|1,0,0]=3 446 B13R1.119 CCCOCCNCc1cscn1 207a_100161115042_100000743575 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.119 CCCOCCNCc1cscn1 2230a_100015185402_100011215938 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.119 CCCOCCNCc1cscn1 2230a_100161115042_100000205941 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.119 CCCOCCNCc1cscn1 270004a_100161115042_100000743575 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.119 CCCOCCNCc1cscn1 34a_100161115042_100000205941 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.119 CCCOCCOCc1ccoc1 34a_100011215357_100011215938 [0,1,1,0,0,0|1,1,0]=4 452 B13R1.119 CCCOCCOCc1ccsc1 34a_100000752267_100011261437 [0,1,1,0,0,0|1,0,0]=3 453 B13R1.119 CCCOCCOCc1ccsc1 34a_100011215551_100011215938 [0,1,1,0,0,0|1,0,0]=3 454 B13R1.119 CCCOCCOCc1ccsc1 7a_100000752267_100011261437 [0,1,1,0,0,0|1,0,0]=3 455 B13R1.119 CCCOCCOCc1cscn1 34a_100000752267_100000205941 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.119 CCCOCCOCc1cscn1 7a_100000752267_100000205941 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.119 CCCOCCSCc1ccsc1 62a_100011215938_100011233845 [0,1,1,0,0,0|1,0,0]=3 458 B13R1.119 CCCOCCSCc1ccsc1 62a_100011261437_100011215938 [0,1,1,0,0,0|1,0,0]=3 459 B13R1.119 CCCOCCSCc1cscn1 62a_100000205941_100011215938 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.119 CCCOCCSCc1cscn1 62a_100011215938_100000205941 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.119 CCCSCCNCc1ccsc1 207a_100020603323_100000188534 [0,1,1,0,0,0|1,1,0]=4 462 B13R1.119 CCCSCCNCc1ccsc1 2230a_100020603323_100011261437 [0,1,1,0,0,0|1,1,0]=4 463 B13R1.119 CCCSCCNCc1ccsc1 270004a_100020603323_100000188534 [0,1,1,0,0,0|1,1,0]=4 464 B13R1.119 CCCSCCOCc1ccsc1 34a_200000230433_100011261437 [0,1,1,0,0,0|1,1,0]=4 465 B13R1.119 CCCSCCOCc1ccsc1 7a_200000230433_100011261437 [0,1,1,0,0,0|1,1,0]=4 466 B13R1.119 COCCOCCCc1ccsc1 34a_200000699776_100011201679 [0,1,1,0,0,0|1,0,0]=3 467 B13R1.119 COCCOCCCc1ccsc1 7a_200000699776_100000233755 [0,1,1,0,0,0|1,0,0]=3 468 B13R1.119 COCCOCCOc1ccsc1 34a_100000106738_100000695917 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.119 COCCOCCOc1ccsc1 7a_100000106738_100000695917 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.119 COCCOCCSc1ccsc1 62a_100000695917_100000738268 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.119 COCCOCCSc1ccsc1 62a_100000738268_100000695917 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.119 COCCOCNCc1ccsc1 2230a_100000186416_100000231047 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.119 COCCOCSCc1ccsc1 62a_100000231047_100011233845 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.119 COCCOCSCc1ccsc1 62a_100011261437_100000231047 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.119 CSCCOCCCc1ccsc1 34a_200000699776_100000212216 [0,1,1,0,0,0|1,0,0]=3 476 B13R1.119 CSCCOCCCc1ccsc1 7a_200000699776_100000212216 [0,1,1,0,0,0|1,0,0]=3 477 B13R1.119 ClCCCCCOCc1ccsc1 34a_100000746330_100011261437 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.119 ClCCCCCOCc1ccsc1 7a_100000746330_100011261437 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.119 ClCCOCCOCc1ccsc1 34a_100011215305_100011261437 [0,1,1,0,0,0|1,0,0]=3 480 B13R1.119 ClCCOCCOCc1ccsc1 7a_100011215305_100011261437 [0,1,1,0,0,0|1,0,0]=3 481 B13R1.119 ClCCOCCOCc1cscn1 34a_100011215305_100000205941 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.119 ClCCOCCOCc1cscn1 7a_100011215305_100000205941 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.119 FCCCCCCOc1ccsc1 34a_100000106738_100015922095 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.119 FCCCCCCOc1ccsc1 7a_100000106738_100015922095 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.119 FCCCCCCSc1ccsc1 62a_100000738268_100015922095 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.119 FCCCCCCSc1ccsc1 62a_100015922095_100000738268 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.119 FCCCCCNCc1ccsc1 2230a_100000186416_100000729378 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.119 FCCCCCNCc1ccsc1 34a_100000186416_100000729378 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.119 FCCCCCOCc1ccsc1 34a_100011215551_100000729378 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.119 FCCCCCSCc1ccsc1 62a_100000729378_100011233845 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.119 FCCCCCSCc1ccsc1 62a_100011261437_100000729378 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.119 FCCCCNCCc1ccsc1 2230a_100000692642_100000729493 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.119 FCCCCNCCc1ccsc1 34a_100000692642_100000729493 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.119 FCCCCOCCc1ccsc1 34a_100000748821_100000729493 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.119 FCCCOCCCc1ccsc1 34a_200000699776_100011934791 [0,1,1,0,0,0|1,0,0]=3 496 B13R1.119 FCCCOCCCc1ccsc1 7a_200000699776_100011934791 [0,1,1,0,0,0|1,0,0]=3 497 B13R1.119 FCCOCCOCc1ccsc1 34a_200015357709_100011261437 [0,1,1,0,0,0|1,0,0]=3 498 B13R1.119 FCCOCCOCc1ccsc1 7a_200015357709_100011261437 [0,1,1,0,0,0|1,0,0]=3 499 B13R1.119 FCCOCCOCc1cscn1 34a_200015357709_100000205941 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.119 FCCOCCOCc1cscn1 7a_200015357709_100000205941 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.119 ICCCCCOCc1ccsc1 34a_200012148887_100011261437 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.119 ICCCCCOCc1ccsc1 7a_200012148887_100011261437 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.119 ICCOCCOCc1ccsc1 34a_100012149058_100011261437 [0,1,1,0,0,0|1,0,0]=3 504 B13R1.119 ICCOCCOCc1ccsc1 7a_100012149058_100011261437 [0,1,1,0,0,0|1,0,0]=3 505 B13R1.119 ICCOCCOCc1cscn1 34a_100012149058_100000205941 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.119 ICCOCCOCc1cscn1 7a_100012149058_100000205941 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.119 N#CCCOCCCc1ccsc1 7a_200000699776_100000184422 [0,1,1,0,0,0|0,0,1]=3 508 B13R1.119 N#CCOCCNCc1ccsc1 2230a_100000186416_200000047693 [0,1,1,0,0,0|0,0,2]=4 509 B13R1.119 N#CCOCCSCc1ccsc1 62a_100011261437_200000047693 [0,1,1,0,0,0|0,0,2]=4 510 B13R1.119 N#CCOCCSCc1ccsc1 62a_200000047693_100011233845 [0,1,1,0,0,0|0,0,2]=4 511 B13R1.119 NCCCCCOCc1ccsc1 34a_100000762737_100011261437 [0,1,1,0,0,0|1,0,0]=3 512 B13R1.119 NCCCCCOCc1cscn1 34a_100000762737_100000205941 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.119 NCCCOCCCc1cccs1 34a_100000182051_100010992444 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.119 NCCCOCCCn1cccc1 34a_100000182051_200009814367 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.119 NCCCOCCCn1ccnc1 34a_100000182051_100000756272 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.119 NCCOCCOCc1c[nH]cn1 34a_100000211614_100000707719 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.119 NCCOCCOCc1ccn[nH]1 34a_100000211614_100000728653 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.119 NCCOCCOCc1ccon1 34a_100000211614_100000234950 [0,1,1,0,0,0|1,1,0]=4 519 B13R1.119 NCCOCCOCc1ccsc1 34a_100000211614_100011261437 [0,1,1,0,0,0|0,0,0]=2 520 B13R1.119 NCCOCCOCc1cncs1 34a_100000211614_100015185245 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.119 NCCOCCOCc1cscn1 34a_100000211614_100000205941 [0,1,1,0,0,0|1,0,0]=3 522 B13R1.119 NOCCOCCCc1cccs1 34a_100000700252_100010992444 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.119 NOCCOCCCn1cccc1 34a_100000700252_200009814367 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.119 NOCCOCCCn1ccnc1 34a_100000700252_100000756272 [0,1,1,0,0,0|2,0,0]=4 525 B13R1.119 OCCCCCCOc1ccsc1 34a_100000106738_100000766143 [0,1,1,0,0,0|2,0,0]=4 526 B13R1.119 OCCCCCCOc1ccsc1 7a_100000106738_100000766143 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.119 OCCCCCCSc1ccsc1 62a_100000738268_100000766143 [0,1,1,0,0,0|2,0,0]=4 528 B13R1.119 OCCCCCCSc1ccsc1 62a_100000766143_100000738268 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.119 OCCCCCNCc1ccsc1 207a_100000762737_100000188534 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.119 OCCCCCNCc1ccsc1 2230a_100000186416_100000746330 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.119 OCCCCCNCc1ccsc1 2230a_100000762737_100011261437 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.119 OCCCCCNCc1ccsc1 270004a_100000762737_100000188534 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.119 OCCCCCNCc1ccsc1 34a_100000186416_100000746330 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.119 OCCCCCNCc1ccsc1 34a_100000762737_100011261437 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.119 OCCCCCOCc1ccsc1 34a_100011215551_100000746330 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.119 OCCCCCSCc1ccsc1 62a_100000746330_100011233845 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.119 OCCCCCSCc1ccsc1 62a_100011261437_100000746330 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.119 OCCCCNCCc1ccsc1 2230a_100000692642_100000210776 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.119 OCCCCNCCc1ccsc1 34a_100000692642_100011216708 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.119 OCCCCOCCc1ccsc1 34a_100000748821_100011216708 [0,1,1,0,0,0|2,0,0]=4 541 B13R1.119 OCCCOCCCc1ccsc1 34a_200000699776_100000230001 [0,1,1,0,0,0|1,0,0]=3 542 B13R1.119 OCCCOCCCc1ccsc1 7a_200000699776_100011215043 [0,1,1,0,0,0|1,0,0]=3 543 B13R1.119 OCCOCCNCc1ccoc1 207a_100000211614_100011215517 [0,1,1,0,0,0|1,1,0]=4 544 B13R1.119 OCCOCCNCc1ccoc1 2230a_100015206860_100011215305 [0,1,1,0,0,0|1,1,0]=4 545 B13R1.119 OCCOCCNCc1ccoc1 270004a_100000211614_100011215517 [0,1,1,0,0,0|1,1,0]=4 546 B13R1.119 OCCOCCNCc1ccoc1 34a_100015206860_100000692535 [0,1,1,0,0,0|1,1,0]=4 547 B13R1.119 OCCOCCNCc1ccsc1 207a_100000211614_100000188534 [0,1,1,0,0,0|1,0,0]=3 548 B13R1.119 OCCOCCNCc1ccsc1 2230a_100000186416_100011215305 [0,1,1,0,0,0|1,0,0]=3 549 B13R1.119 OCCOCCNCc1ccsc1 2230a_100000211614_100011261437 [0,1,1,0,0,0|1,0,0]=3 550 B13R1.119 OCCOCCNCc1ccsc1 270004a_100000211614_100000188534 [0,1,1,0,0,0|1,0,0]=3 551 B13R1.119 OCCOCCNCc1ccsc1 34a_100000186416_100000692535 [0,1,1,0,0,0|1,0,0]=3 552 B13R1.119 OCCOCCNCc1ccsc1 34a_100000211614_100011261437 [0,1,1,0,0,0|1,0,0]=3 553 B13R1.119 OCCOCCNCc1cscn1 207a_100000211614_100000743575 [0,1,1,0,0,0|2,0,0]=4 554 B13R1.119 OCCOCCNCc1cscn1 2230a_100000211614_100000205941 [0,1,1,0,0,0|2,0,0]=4 555 B13R1.119 OCCOCCNCc1cscn1 2230a_100015185402_100011215305 [0,1,1,0,0,0|2,0,0]=4 556 B13R1.119 OCCOCCNCc1cscn1 270004a_100000211614_100000743575 [0,1,1,0,0,0|2,0,0]=4 557 B13R1.119 OCCOCCNCc1cscn1 34a_100000211614_100000205941 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.119 OCCOCCOCc1ccoc1 34a_100011215357_100000692535 [0,1,1,0,0,0|1,1,0]=4 559 B13R1.119 OCCOCCOCc1ccsc1 34a_100011215551_100000692535 [0,1,1,0,0,0|1,0,0]=3 560 B13R1.119 OCCOCCSCc1ccsc1 62a_100011215305_100011233845 [0,1,1,0,0,0|1,0,0]=3 561 B13R1.119 OCCOCCSCc1ccsc1 62a_100011261437_100011215305 [0,1,1,0,0,0|1,0,0]=3 562 B13R1.119 OCCOCCSCc1cscn1 62a_100000205941_100011215305 [0,1,1,0,0,0|2,0,0]=4 563 B13R1.119 OCCOCCSCc1cscn1 62a_100011215305_100000205941 [0,1,1,0,0,0|2,0,0]=4 564 B13R1.119 OCCSCCNCc1ccsc1 207a_100011219999_100000188534 [0,1,1,0,0,0|1,1,0]=4 565 B13R1.119 OCCSCCNCc1ccsc1 2230a_100011219999_100011261437 [0,1,1,0,0,0|1,1,0]=4 566 B13R1.119 OCCSCCNCc1ccsc1 270004a_100011219999_100000188534 [0,1,1,0,0,0|1,1,0]=4 567 B13R1.156 CCCOCC(=O)Cc1ccsc1 1458a_100000745993_100011233845 [0,1,1,0,0,0|1,0,1]=4 568 B13R1.156 O=C(COCCO)Cc1ccsc1 1458a_100000708028_100011233845 [0,1,1,0,0,0|1,0,1]=4 569 B13R1.343 C=C(C)COCCCc1ccsc1 34a_200000699776_100000748629 [0,1,1,0,0,0|1,0,1]=4 570 B13R1.343 C=C(C)COCCCc1ccsc1 7a_200000699776_100000748629 [0,1,1,0,0,0|1,0,1]=4 571 B13R1.343 C=C(F)COCCCc1ccsc1 34a_200000699776_100009893438 [0,1,1,0,0,0|1,0,1]=4 572 B13R1.343 C=C(F)COCCCc1ccsc1 7a_200000699776_100000042424 [0,1,1,0,0,0|1,0,1]=4 573 B13R1.343 CC(C)COCCCc1ccsc1 34a_200000699776_100000210624 [0,1,1,0,0,0|1,0,0]=3 574 B13R1.343 CC(C)COCCCc1ccsc1 7a_200000699776_100000210760 [0,1,1,0,0,0|1,0,0]=3 575 B13R1.343 CC(O)COCCCc1ccsc1 34a_200000699776_100011218427 [0,1,1,0,0,0|1,0,0]=3 576 B13R1.343 CC(O)COCCCc1ccsc1 7a_200000699776_100011218427 [0,1,1,0,0,0|1,0,0]=3 577 B13R1.343 C[C@@H](N)COCCCc1cccs1 34a_100000737577_100010992444 [0,1,1,0,0,0|2,0,0]=4 578 B13R1.343 C[C@@H](N)COCCCn1cccc1 34a_100000737577_200009814367 [0,1,1,0,0,0|2,0,0]=4 579 B13R1.343 C[C@@H](N)COCCCn1ccnc1 34a_100000737577_100000756272 [0,1,1,0,0,0|2,0,0]=4 580 B13R1.343 C[C@@H](O)COCCCc1ccsc1 34a_200000699776_100009817552 [0,1,1,0,0,0|1,0,0]=3 581 B13R1.343 C[C@@H](O)COCCCc1ccsc1 7a_200000699776_100009817552 [0,1,1,0,0,0|1,0,0]=3 582 B13R1.343 FC(F)COCCCc1ccsc1 34a_200000699776_100011934356 [0,1,1,0,0,0|1,0,0]=3 583 B13R1.343 FC(F)COCCCc1ccsc1 7a_200000699776_100011934356 [0,1,1,0,0,0|1,0,0]=3 584 B13R1.343 FC(F)COCCOc1ccsc1 34a_100000106738_200012177212 [0,1,1,0,0,0|2,0,0]=4 585 B13R1.343 FC(F)COCCOc1ccsc1 7a_100000106738_200012177212 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.343 FC(F)COCCSc1ccsc1 62a_100000738268_200012177212 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.343 FC(F)COCCSc1ccsc1 62a_200012177212_100000738268 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.343 NC(=O)COCCCc1ccsc1 34a_200000699776_100000187820 [0,1,1,0,0,0|0,0,1]=3 589 B13R1.343 NC(=O)COCCCc1ccsc1 7a_200000699776_100000187820 [0,1,1,0,0,0|0,0,1]=3 590 B13R1.343 NC(=O)COCCOc1ccsc1 34a_100000106738_100000076697 [0,1,1,0,0,0|1,0,1]=4 591 B13R1.343 NC(=O)COCCOc1ccsc1 7a_100000106738_100000076697 [0,1,1,0,0,0|1,0,1]=4 592 B13R1.343 NC(=O)COCCSc1ccsc1 62a_100000076697_100000738268 [0,1,1,0,0,0|1,0,1]=4 593 B13R1.343 NC(=O)COCCSc1ccsc1 62a_100000738268_100000076697 [0,1,1,0,0,0|1,0,1]=4 594 B13R1.343 O=C([O-])COCCCc1ccsc1 34a_200000699776_100020667443 [0,1,1,0,0,0|1,0,1]=4 595 B13R1.343 O=[N+]([O-])COCCCc1ccsc1 34a_200000699776_100000761209 [0,1,1,0,0,0|2,0,0]=4 596 B13R1.404 CC(CCN)COCc1ccsc1 34a_106354213184_100011261437 [0,1,1,0,0,0|2,0,0]=4 597 B13R1.536 C#CC(C)OCCCc1ccsc1 34a_200000699776_200000035995 [0,1,1,0,0,0|1,0,1]=4 598 B13R1.536 CC(C#N)OCCCc1ccsc1 7a_200000699776_100000703298 [0,1,1,0,0,0|0,0,2]=4 599 B13R1.536 CC(CN)OCCCc1cccs1 34a_100000210904_100010992444 [0,1,1,0,0,0|2,0,0]=4 600 B13R1.536 CC(CN)OCCCn1cccc1 34a_100000210904_200009814367 [0,1,1,0,0,0|2,0,0]=4 601 B13R1.536 CC(CN)OCCCn1ccnc1 34a_100000210904_100000756272 [0,1,1,0,0,0|2,0,0]=4 602 B13R1.536 CC(CO)OCCCc1ccsc1 34a_200000699776_100012180447 [0,1,1,0,0,0|1,0,0]=3 603 B13R1.536 CC(CO)OCCCc1ccsc1 7a_200000699776_100012180447 [0,1,1,0,0,0|1,0,0]=3 604 B13R1.536 CCC(C)OCCCc1ccsc1 34a_200000699776_100011215416 [0,1,1,0,0,0|1,0,0]=3 605 B13R1.536 CCC(C)OCCCc1ccsc1 7a_200000699776_100000758301 [0,1,1,0,0,0|1,0,0]=3 606 B13R1.654 CCCOCCSc1ccsc1C 62a_100000684487_100011215938 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.654 CCCOCCSc1ccsc1C 62a_100011215938_100000684487 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.654 CCCOCCSc1cscc1Br 62a_100010143727_100011215938 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.654 CCCOCCSc1cscc1Br 62a_100011215938_100010143727 [0,1,1,0,0,0|2,0,0]=4 610 B13R1.654 CCCOCCSc1cscc1C 62a_100000759966_100011215938 [0,1,1,0,0,0|2,0,0]=4 611 B13R1.654 CCCOCCSc1cscc1C 62a_100011215938_100000759966 [0,1,1,0,0,0|2,0,0]=4 612 B13R1.654 Cc1cscc1SCCOCCO 62a_100000759966_100011215305 [0,1,1,0,0,0|2,0,0]=4 613 B13R1.654 Cc1cscc1SCCOCCO 62a_100011215305_100000759966 [0,1,1,0,0,0|2,0,0]=4 614 B13R1.654 Cc1nccn1CCCOCCN 34a_100000210304_100000690325 [0,1,1,0,0,0|2,0,0]=4 615 B13R1.654 Cc1sccc1SCCOCCO 62a_100000684487_100011215305 [0,1,1,0,0,0|2,0,0]=4 616 B13R1.654 Cc1sccc1SCCOCCO 62a_100011215305_100000684487 [0,1,1,0,0,0|2,0,0]=4 617 B13R1.654 NCCCCOCc1ccsc1Br 34a_100000750430_100009814289 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.654 NCCCCOCc1ccsc1Cl 34a_100000750430_100010167017 [0,1,1,0,0,0|2,0,0]=4 619 B13R1.654 OCCOCCSc1cscc1Br 62a_100010143727_100011215305 [0,1,1,0,0,0|2,0,0]=4 620 B13R1.654 OCCOCCSc1cscc1Br 62a_100011215305_100010143727 [0,1,1,0,0,0|2,0,0]=4 621 B13R1.1344 CCCC(NCC)c1sccc1C 269862a_100015525214_200011510482 [0,1,1,0,0,0|2,0,0]=4 622 B13R1.579 CCCCc1ccsc1CCCC 271570a_100020621405_100010071534 [0,1,1,0,0,0|2,0,0]=4 623 B13R1.579 CCCCc1ccsc1SCCC 62a_100000210303_100010071534 [0,1,1,0,0,0|2,0,0]=4 624 B13R1.579 CCCCc1ccsc1SCCC 62a_100010071534_100000210303 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.579 CCCCc1ccsc1SCCF 62a_100010071534_100011217306 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.579 CCCCc1ccsc1SCCF 62a_100011217306_100010071534 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.579 CCCCc1ccsc1SCCO 62a_100000211926_100010071534 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.579 CCCCc1ccsc1SCCO 62a_100010071534_100000211926 [0,1,1,0,0,0|2,0,0]=4 629 B13R1.671 CNCc1sccc1SCCCO 62a_100000767120_100011215043 [0,1,1,0,0,0|2,0,0]=4 630 B13R1.671 CNCc1sccc1SCCCO 62a_100011215043_100000767120 [0,1,1,0,0,0|2,0,0]=4 631 B13R2.292 CCNC1CCCc2c1occ2 269862a_100015525214_100009877200 [0,1,0,0,1,0|1,1,0]=4 632 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,1,0,0,1,0|2,0,0]=4 633 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,1,0,0,1,0|2,0,0]=4 634 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,1,0,0,1,0|2,0,0]=4 635 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,1,0,0,1,0|2,0,0]=4 636 B13R2.468 CCCNC1CCc2c1scc2 269862a_100020643023_100000080523 [0,0,1,1,0,0|2,0,0]=4 637 B13R2.678 NCC(OC1CC1)c2ccco2 34a_100000738650_100000211595 [0,0,1,1,0,0|0,1,0]=3 638 B13R2.678 NCC(OC1CC1)c2ccsc2 34a_100000758718_100000211595 [0,0,1,1,0,0|2,0,0]=4 639 B13R2.29 OC1COCC1Oc2ccsc2 34a_100000106738_200000725654 [0,0,1,1,0,0|2,0,0]=4 640 B13R2.29 OC1COCC1Oc2ccsc2 7a_100000106738_200000725654 [0,0,1,1,0,0|2,0,0]=4 641 B13R2.29 OC1COCC1Sc2ccsc2 62a_100000738268_200000725654 [0,0,1,1,0,0|2,0,0]=4 642 B13R2.29 OC1COCC1Sc2ccsc2 62a_200000725654_100000738268 [0,0,1,1,0,0|2,0,0]=4 643 B13R2.64 c1cc(cs1)CN2CCCOC2 2230a_100000131196_100011261437 [0,0,1,1,0,0|2,0,0]=4 644 B13R2.64 c1cc(cs1)CN2CCCOC2 269982a_100000131196_100011233845 [0,0,1,1,0,0|2,0,0]=4 645 B13R2.64 c1cc(cs1)CN2CCCOC2 270004a_100000131196_100000188534 [0,0,1,1,0,0|2,0,0]=4 646 B13R2.64 c1cc(cs1)CN2CCCOC2 34a_100000131196_100011261437 [0,0,1,1,0,0|2,0,0]=4 647 B13R2.64 c1cc(cs1)OC2CCCOC2 34a_100000106738_100000693364 [0,0,1,1,0,0|2,0,0]=4 648 B13R2.64 c1cc(cs1)OC2CCCOC2 7a_100000106738_100000693364 [0,0,1,1,0,0|2,0,0]=4 649 B13R2.64 c1cc(cs1)SC2CCCOC2 62a_100000738268_100000693364 [0,0,1,1,0,0|2,0,0]=4 650 B13R2.183 c1cc(cs1)COC2CCCO2 34a_100000085407_100011261437 [0,0,1,1,0,0|2,0,0]=4 651 B13R2.183 c1cc(cs1)OCC2CCCO2 7a_100000106738_100000203698 [0,0,1,1,0,0|2,0,0]=4 652 B13R2.183 c1cc(cs1)OCC2OCCO2 34a_100000106738_100000755774 [0,0,1,1,0,0|2,0,0]=4 653 B13R2.183 c1cc(cs1)OCC2OCCO2 7a_100000106738_100000755774 [0,0,1,1,0,0|2,0,0]=4 654 B13R2.183 c1cc(cs1)SCC2CCCO2 62a_100000203698_100000738268 [0,0,1,1,0,0|2,0,0]=4 655 B13R2.183 c1cc(cs1)SCC2CCCO2 62a_100000738268_100000203698 [0,0,1,1,0,0|2,0,0]=4 656 B13R2.183 c1cc(cs1)SCC2OCCO2 62a_100000738268_100000755774 [0,0,1,1,0,0|2,0,0]=4 657 B13R2.183 c1cc(cs1)SCC2OCCO2 62a_100000755774_100000738268 [0,0,1,1,0,0|2,0,0]=4 658 B13R2.2380 c1cc(cs1)CCCOC2CC2 34a_200000699776_100000211595 [0,0,1,1,0,0|1,0,0]=3 659 B13R2.2441 CCCCc1ccsc1C2CC2 271570a_100011220607_100010071534 [0,0,1,1,0,0|2,0,0]=4 660 B11R2.191 CNC1CCc2c1scc2 269862a_106832991636_100000080523 [0,0,0,0,2,0|2,0,0]=4 661 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,0,1,0,0,1|2,0,0]=4 662 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,0,1,0,0,1|2,0,0]=4 663 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,0,1,0,0,1|2,0,0]=4 664 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,0,1,0,0,1|1,0,0]=3 665 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,0,1,0,0,1|2,0,0]=4 666 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,0,1,0,0,1|2,0,0]=4 667 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,0,1,0,0,1|2,0,0]=4 668 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,0,1,0,0,1|2,0,0]=4 669 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,0,1,0,0,1|2,0,0]=4 670 B13R1.372 CCCCC(CC)Sc1cccs1 62a_100011215356_200011216223 [0,0,1,0,0,1|2,0,0]=4 671 B13R1.372 CCCCC(CC)Sc1cccs1 62a_200011216223_100011215356 [0,0,1,0,0,1|2,0,0]=4 672 B13R1.372 CCOCC(CN)Cc1cccs1 34a_114948341022_100000210202 [0,0,1,0,0,1|2,0,0]=4 673 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,0,1,0,0,1|2,0,0]=4 674 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,0,1,0,0,1|2,0,0]=4 675 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,0,1,0,0,1|2,0,0]=4 676 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,0,1,0,0,1|2,0,0]=4 677 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,0,1,0,0,1|2,0,0]=4 678 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [0,0,1,0,0,1|2,0,0]=4 679 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,0,1,0,0,1|2,0,0]=4 680 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [0,0,1,0,0,1|2,0,0]=4 681 B13R1.28 FCCOCCCC1=CCC=CC1 34a_100020667889_100011217306 [0,0,1,0,0,1|2,0,0]=4 682 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,0,1,0,0,1|2,0,0]=4 683 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,0,1,0,0,1|2,0,0]=4 684 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [0,0,1,0,0,1|2,0,0]=4 685 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,0,1,0,0,1|2,0,0]=4 686 B13R1.28 FCCOCCCc1ccncc1 34a_100000210659_100011217306 [0,0,1,0,0,1|2,0,0]=4 687 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,0,1,0,0,1|1,0,0]=3 688 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [0,0,1,0,0,1|2,0,0]=4 689 B13R1.28 NCCOCCSc1ccccc1 34a_100000210304_100000246102 [0,0,1,0,0,1|2,0,0]=4 690 B13R1.28 NCCOCOCc1ccccc1 34a_100000210304_100000763385 [0,0,1,0,0,1|2,0,0]=4 691 B13R1.28 NCCOCSCc1ccccc1 34a_100000210304_200011217039 [0,0,1,0,0,1|2,0,0]=4 692 B13R1.28 OCCOCCCC1=CCC=CC1 34a_100020667889_100000211926 [0,0,1,0,0,1|2,0,0]=4 693 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,0,1,0,0,1|2,0,0]=4 694 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,0,1,0,0,1|2,0,0]=4 695 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [0,0,1,0,0,1|2,0,0]=4 696 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,0,1,0,0,1|2,0,0]=4 697 B13R1.28 OCCOCCCc1ccncc1 34a_100000210659_100000211926 [0,0,1,0,0,1|2,0,0]=4 698 B13R1.2802 CCc1ccsc1SC(CC)CC 62a_100000210505_200009875468 [0,0,1,0,0,1|2,0,0]=4 699 B13R1.2802 CCc1ccsc1SC(CC)CC 62a_200009875468_100000210505 [0,0,1,0,0,1|2,0,0]=4 700 B13R1.173 CCOC(CN)c1ccccc1Br 34a_100011236429_100000210202 [0,0,1,0,0,1|2,0,0]=4 701 B13R1.173 CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210202 [0,0,1,0,0,1|2,0,0]=4 702 B13R1.184 CCCC(CC)Sc1sccc1C 62a_100010247149_100011219200 [0,0,1,0,0,1|2,0,0]=4 703 B13R1.184 CCCC(CC)Sc1sccc1C 62a_100011219200_100010247149 [0,0,1,0,0,1|2,0,0]=4 704 B13R1.374 CCOc1cccc(c1)C(O)CN 34a_100020657549_100000210202 [0,0,1,0,0,1|2,0,0]=4 705 B13R1.374 CNCc1cccc(c1)C(O)CN 26a_100102657272_100020657549 [0,0,1,0,0,1|2,0,0]=4 706 B13R1.382 CCSc1ccccc1C(O)CN 62a_100000210202_100011236429 [0,0,1,0,0,1|2,0,0]=4 707 B13R1.382 CCSc1ccccc1C(O)CN 62a_100011236429_100000210202 [0,0,1,0,0,1|2,0,0]=4 708 B13R1.485 CCCCc1ccccc1CCN 271570a_100020621405_100000747383 [0,0,1,0,0,1|2,0,0]=4 709 B13R1.485 NCCc1ccccc1OCCO 34a_100011207237_100000211926 [0,0,1,0,0,1|2,0,0]=4 710 B13R1.485 NCCc1ccccc1SCCO 62a_100000211926_100000747383 [0,0,1,0,0,1|2,0,0]=4 711 B13R1.485 NCCc1ccccc1SCCO 62a_100000747383_100000211926 [0,0,1,0,0,1|2,0,0]=4 712 B13R1.567 CCCCc1cccc(c1)CCN 271570a_100020621405_100011207229 [0,0,1,0,0,1|2,0,0]=4 713 B13R1.567 NCCc1cccc(c1)OCCO 34a_100000747277_100000211926 [0,0,1,0,0,1|2,0,0]=4 714 B13R1.567 NCCc1cccc(c1)SCCO 62a_100000211926_100011207229 [0,0,1,0,0,1|2,0,0]=4 715 B13R1.567 NCCc1cccc(c1)SCCO 62a_100011207229_100000211926 [0,0,1,0,0,1|2,0,0]=4