0 B17R3.633 CNC1CCCc2c1[nH]c3c2cccc3 269862a_106832991636_100000189453 [0,1,0,0,0,0|2,0,0]=3 1 B15R2.5 BrCCOCc1csc2c1cccc2 34a_100000211926_200000742921 [0,0,1,0,0,0|2,1,0]=4 2 B15R2.5 BrCCOCc1noc2c1cccc2 34a_100000211926_100009813815 [0,0,1,0,0,0|3,0,0]=4 3 B15R2.5 C#CCNCc1csc2c1cccc2 34a_100000212058_200000742921 [0,0,1,0,0,0|0,1,2]=4 4 B15R2.5 C#CCNCc1csc2c1cccc2 34a_100000744611_100000184674 [0,0,1,0,0,0|0,1,2]=4 5 B15R2.5 C#CCNCc1noc2c1cccc2 34a_100000212058_100009813815 [0,0,1,0,0,0|1,0,2]=4 6 B15R2.5 C=CCNCc1coc2c1cccc2 270004a_100020586998_100000688544 [0,0,1,0,0,0|0,0,2]=3 7 B15R2.5 C=CCNCc1csc2c1cccc2 2230a_100020586998_200000742921 [0,0,1,0,0,0|0,1,2]=4 8 B15R2.5 C=CCNCc1csc2c1cccc2 270004a_100020586998_100000239721 [0,0,1,0,0,0|0,1,2]=4 9 B15R2.5 C=CCNCc1csc2c1cccc2 34a_100000744611_100015514636 [0,0,1,0,0,0|0,1,2]=4 10 B15R2.5 CCCC=Cc1coc2c1cccc2 271570a_100016258520_100009812202 [0,0,1,0,0,0|1,0,1]=3 11 B15R2.5 CCCC=Cc1coc2c1nccc2 271570a_100016258520_100009889148 [0,0,1,0,0,0|2,0,1]=4 12 B15R2.5 CCCC=Cc1csc2c1cccc2 271570a_100016258520_100009813928 [0,0,1,0,0,0|1,1,1]=4 13 B15R2.5 CCCCOc1csc2c1cccc2 34a_100000077758_100000210210 [0,0,1,0,0,0|2,1,0]=4 14 B15R2.5 CCCCOc1csc2c1cccc2 7a_100000077758_100000210211 [0,0,1,0,0,0|2,1,0]=4 15 B15R2.5 CCCCSc1coc2c1cccc2 62a_100000210211_100009812202 [0,0,1,0,0,0|2,0,0]=3 16 B15R2.5 CCCCSc1coc2c1nccc2 62a_100000210211_100009889148 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.5 CCCCSc1csc2c1cccc2 62a_100000210211_100009813928 [0,0,1,0,0,0|2,1,0]=4 18 B15R2.5 CCCCSc1noc2c1cccc2 62a_100000210211_200000703156 [0,0,1,0,0,0|3,0,0]=4 19 B15R2.5 CCCCSc1noc2c1cccc2 62a_200000703156_100000210210 [0,0,1,0,0,0|3,0,0]=4 20 B15R2.5 CCCNCC1CCc2c1cccc2 2230a_100020632452_100000210303 [0,0,1,0,0,0|1,0,2]=4 21 B15R2.5 CCCNCC1CCc2c1cccc2 34a_100020632452_100000210303 [0,0,1,0,0,0|1,0,2]=4 22 B15R2.5 CCCNCc1c[nH]c2c1ccnc2 270004a_100020643023_100000087688 [0,0,1,0,0,0|2,0,0]=3 23 B15R2.5 CCCNCc1cnc2n1cccc2 207a_100020643023_100000052358 [0,0,1,0,0,0|2,0,0]=3 24 B15R2.5 CCCNCc1cnc2n1cccc2 2230a_100015187830_100000210303 [0,0,1,0,0,0|2,0,0]=3 25 B15R2.5 CCCNCc1cnc2n1cccc2 270004a_100020643023_100000052358 [0,0,1,0,0,0|2,0,0]=3 26 B15R2.5 CCCNCc1cnc2n1cccn2 270004a_100020643023_100000059808 [0,0,1,0,0,0|3,0,0]=4 27 B15R2.5 CCCNCc1cnc2n1nccc2 270004a_100020643023_200000102391 [0,0,1,0,0,0|3,0,0]=4 28 B15R2.5 CCCNCc1cnn2c1cccc2 207a_100020643023_100011787723 [0,0,1,0,0,0|2,0,0]=3 29 B15R2.5 CCCNCc1cnn2c1cccc2 270004a_100020643023_100011787723 [0,0,1,0,0,0|2,0,0]=3 30 B15R2.5 CCCNCc1coc2c1cccc2 207a_100020643023_100000688544 [0,0,1,0,0,0|0,0,0]=1 31 B15R2.5 CCCNCc1coc2c1cccc2 270004a_100020643023_100000688544 [0,0,1,0,0,0|0,0,0]=1 32 B15R2.5 CCCNCc1csc2c1cccc2 207a_100020643023_100000239721 [0,0,1,0,0,0|0,1,0]=2 33 B15R2.5 CCCNCc1csc2c1cccc2 270004a_100020643023_100000239721 [0,0,1,0,0,0|0,1,0]=2 34 B15R2.5 CCCNCc1csc2c1cccc2 34a_100000744611_100000210303 [0,0,1,0,0,0|0,1,0]=2 35 B15R2.5 CCCNCc1n[nH]c2c1cccc2 207a_100020643023_100000059708 [0,0,1,0,0,0|2,0,0]=3 36 B15R2.5 CCCNCc1n[nH]c2c1cccc2 270004a_100020643023_100000059708 [0,0,1,0,0,0|2,0,0]=3 37 B15R2.5 CCCNCc1ncc2n1cccc2 207a_100020643023_100000069005 [0,0,1,0,0,0|3,0,0]=4 38 B15R2.5 CCCNCc1ncc2n1cccc2 270004a_100020643023_100000069005 [0,0,1,0,0,0|3,0,0]=4 39 B15R2.5 CCCNCc1ncn2c1cccc2 207a_100020643023_100000084368 [0,0,1,0,0,0|3,0,0]=4 40 B15R2.5 CCCNCc1nnc2n1cccc2 2230a_100020603313_100000210303 [0,0,1,0,0,0|3,0,0]=4 41 B15R2.5 CCCNN=C1CCc2c1cccc2 4a_100000740057_100000212051 [0,0,1,0,0,0|2,0,1]=4 42 B15R2.5 CCCNN=C1COc2c1cccc2 4a_100000740057_100000185568 [0,0,1,0,0,0|1,0,1]=3 43 B15R2.5 CCCNN=C1CSc2c1cccc2 4a_100000740057_100000062685 [0,0,1,0,0,0|1,1,1]=4 44 B15R2.5 CCCOCc1csc2c1cccc2 34a_100000210258_200000742921 [0,0,1,0,0,0|1,1,0]=3 45 B15R2.5 CCCOCc1csc2c1cccc2 34a_100011219454_100000210303 [0,0,1,0,0,0|1,1,0]=3 46 B15R2.5 CCCOCc1noc2c1cccc2 34a_100000210258_100009813815 [0,0,1,0,0,0|2,0,0]=3 47 B15R2.5 CCCSCc1csc2c1cccc2 62a_100000210303_200000742921 [0,0,1,0,0,0|1,1,0]=3 48 B15R2.5 CCCSCc1csc2c1cccc2 62a_200000742921_100000210303 [0,0,1,0,0,0|1,1,0]=3 49 B15R2.5 CCCSCc1noc2c1cccc2 62a_100000210303_100009813815 [0,0,1,0,0,0|2,0,0]=3 50 B15R2.5 CCCSCc1noc2c1cccc2 62a_100009813815_100000210303 [0,0,1,0,0,0|2,0,0]=3 51 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210202 [0,0,1,0,0,0|3,0,0]=4 52 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100015525214_100011218569 [0,0,1,0,0,0|3,0,0]=4 53 B15R2.5 CCNCCc1coc2c1cccc2 2230a_100011934666_100000210202 [0,0,1,0,0,0|2,0,0]=3 54 B15R2.5 CCNCCc1coc2c1cccc2 34a_100011934666_100000210202 [0,0,1,0,0,0|2,0,0]=3 55 B15R2.5 CCNN=Cc1coc2c1cccc2 4a_100000756455_100000688544 [0,0,1,0,0,0|1,0,2]=4 56 B15R2.5 CCOC=Cc1coc2c1cccc2 271570a_100016256518_100009812202 [0,0,1,0,0,0|2,0,1]=4 57 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210202 [0,0,1,0,0,0|3,0,0]=4 58 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100121572206_100011218569 [0,0,1,0,0,0|3,0,0]=4 59 B15R2.5 CCOCSc1coc2c1cccc2 62a_100000739092_100009812202 [0,0,1,0,0,0|3,0,0]=4 60 B15R2.5 CCSCCc1c[nH]c2c1cccc2 62a_100000210202_100011218569 [0,0,1,0,0,0|3,0,0]=4 61 B15R2.5 COCC=Cc1coc2c1cccc2 271570a_100016286323_100009812202 [0,0,1,0,0,0|2,0,1]=4 62 B15R2.5 COCCCc1c[nH]c2c1cccc2 34a_100102524900_200000210301 [0,0,1,0,0,0|3,0,0]=4 63 B15R2.5 COCCSc1coc2c1cccc2 62a_100000233755_100009812202 [0,0,1,0,0,0|3,0,0]=4 64 B15R2.5 COCNCc1cnc2n1cccc2 2230a_100015187830_100000766300 [0,0,1,0,0,0|3,0,0]=4 65 B15R2.5 COCSCc1csc2c1cccc2 62a_100000766300_200000742921 [0,0,1,0,0,0|2,1,0]=4 66 B15R2.5 COCSCc1csc2c1cccc2 62a_200000742921_100000766300 [0,0,1,0,0,0|2,1,0]=4 67 B15R2.5 COCSCc1noc2c1cccc2 62a_100000766300_100009813815 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.5 COCSCc1noc2c1cccc2 62a_100009813815_100000766300 [0,0,1,0,0,0|3,0,0]=4 69 B15R2.5 CSCCSc1coc2c1cccc2 62a_100000212216_100009812202 [0,0,1,0,0,0|3,0,0]=4 70 B15R2.5 CSCNCc1cnc2n1cccc2 2230a_100015187830_100011218213 [0,0,1,0,0,0|3,0,0]=4 71 B15R2.5 CSCNCc1csc2c1cccc2 34a_100000744611_100011218213 [0,0,1,0,0,0|1,1,0]=3 72 B15R2.5 CSCOCc1csc2c1cccc2 34a_100011219454_100011218213 [0,0,1,0,0,0|2,1,0]=4 73 B15R2.5 CSCSCc1csc2c1cccc2 62a_100011218213_200000742921 [0,0,1,0,0,0|2,1,0]=4 74 B15R2.5 CSCSCc1csc2c1cccc2 62a_200000742921_100011218213 [0,0,1,0,0,0|2,1,0]=4 75 B15R2.5 CSCSCc1noc2c1cccc2 62a_100009813815_100011218213 [0,0,1,0,0,0|3,0,0]=4 76 B15R2.5 CSCSCc1noc2c1cccc2 62a_100011218213_100009813815 [0,0,1,0,0,0|3,0,0]=4 77 B15R2.5 FCCCSc1coc2c1cccc2 62a_100011934791_100009812202 [0,0,1,0,0,0|3,0,0]=4 78 B15R2.5 FCCNCc1cnc2n1cccc2 2230a_100015187830_100011217306 [0,0,1,0,0,0|3,0,0]=4 79 B15R2.5 FCCNCc1csc2c1cccc2 34a_100000724931_200000742921 [0,0,1,0,0,0|1,1,0]=3 80 B15R2.5 FCCNCc1csc2c1cccc2 34a_100000744611_100011217306 [0,0,1,0,0,0|1,1,0]=3 81 B15R2.5 FCCNCc1noc2c1cccc2 34a_100000724931_100009813815 [0,0,1,0,0,0|2,0,0]=3 82 B15R2.5 FCCOCc1csc2c1cccc2 34a_100011219454_100011217306 [0,0,1,0,0,0|2,1,0]=4 83 B15R2.5 FCCSCc1csc2c1cccc2 62a_100011217306_200000742921 [0,0,1,0,0,0|2,1,0]=4 84 B15R2.5 FCCSCc1csc2c1cccc2 62a_200000742921_100011217306 [0,0,1,0,0,0|2,1,0]=4 85 B15R2.5 FCCSCc1noc2c1cccc2 62a_100009813815_100011217306 [0,0,1,0,0,0|3,0,0]=4 86 B15R2.5 FCCSCc1noc2c1cccc2 62a_100011217306_100009813815 [0,0,1,0,0,0|3,0,0]=4 87 B15R2.5 FCNCCc1coc2c1cccc2 34a_100011934666_100015361967 [0,0,1,0,0,0|3,0,0]=4 88 B15R2.5 NCCOCc1csc2c1cccc2 34a_100000210304_200000742921 [0,0,1,0,0,0|2,1,0]=4 89 B15R2.5 NCCOCc1noc2c1cccc2 34a_100000210304_100009813815 [0,0,1,0,0,0|3,0,0]=4 90 B15R2.5 O=CCNCc1csc2c1cccc2 34a_100000744611_200009817547 [0,0,1,0,0,0|1,1,1]=4 91 B15R2.5 OCCCSc1coc2c1cccc2 62a_100011215043_100009812202 [0,0,1,0,0,0|3,0,0]=4 92 B15R2.5 OCCNCc1c[nH]c2c1ccnc2 270004a_100000210304_100000087688 [0,0,1,0,0,0|3,0,0]=4 93 B15R2.5 OCCNCc1cnc2n1cccc2 207a_100000210304_100000052358 [0,0,1,0,0,0|3,0,0]=4 94 B15R2.5 OCCNCc1cnc2n1cccc2 2230a_100015187830_100000211926 [0,0,1,0,0,0|3,0,0]=4 95 B15R2.5 OCCNCc1cnc2n1cccc2 270004a_100000210304_100000052358 [0,0,1,0,0,0|3,0,0]=4 96 B15R2.5 OCCNCc1cnn2c1cccc2 207a_100000210304_100011787723 [0,0,1,0,0,0|3,0,0]=4 97 B15R2.5 OCCNCc1cnn2c1cccc2 270004a_100000210304_100011787723 [0,0,1,0,0,0|3,0,0]=4 98 B15R2.5 OCCNCc1coc2c1cccc2 207a_100000210304_100000688544 [0,0,1,0,0,0|1,0,0]=2 99 B15R2.5 OCCNCc1coc2c1cccc2 270004a_100000210304_100000688544 [0,0,1,0,0,0|1,0,0]=2 100 B15R2.5 OCCNCc1csc2c1cccc2 207a_100000210304_100000239721 [0,0,1,0,0,0|1,1,0]=3 101 B15R2.5 OCCNCc1csc2c1cccc2 2230a_100016997473_200000742921 [0,0,1,0,0,0|1,1,0]=3 102 B15R2.5 OCCNCc1csc2c1cccc2 270004a_100000210304_100000239721 [0,0,1,0,0,0|1,1,0]=3 103 B15R2.5 OCCNCc1csc2c1cccc2 34a_100000744611_100000211926 [0,0,1,0,0,0|1,1,0]=3 104 B15R2.5 OCCNCc1csc2c1cccc2 34a_100016990907_200000742921 [0,0,1,0,0,0|1,1,0]=3 105 B15R2.5 OCCNCc1n[nH]c2c1cccc2 207a_100000210304_100000059708 [0,0,1,0,0,0|3,0,0]=4 106 B15R2.5 OCCNCc1n[nH]c2c1cccc2 270004a_100000210304_100000059708 [0,0,1,0,0,0|3,0,0]=4 107 B15R2.5 OCCNCc1noc2c1cccc2 34a_100016990907_100009813815 [0,0,1,0,0,0|2,0,0]=3 108 B15R2.5 OCCNN=C1COc2c1cccc2 4a_100000210001_100000185568 [0,0,1,0,0,0|2,0,1]=4 109 B15R2.5 OCCOCc1csc2c1cccc2 34a_100011219454_100000211926 [0,0,1,0,0,0|2,1,0]=4 110 B15R2.5 OCCSCc1csc2c1cccc2 62a_100000211926_200000742921 [0,0,1,0,0,0|2,1,0]=4 111 B15R2.5 OCCSCc1csc2c1cccc2 62a_200000742921_100000211926 [0,0,1,0,0,0|2,1,0]=4 112 B15R2.5 OCCSCc1noc2c1cccc2 62a_100000211926_100009813815 [0,0,1,0,0,0|3,0,0]=4 113 B15R2.5 OCCSCc1noc2c1cccc2 62a_100009813815_100000211926 [0,0,1,0,0,0|3,0,0]=4 114 B15R2.5 [13CH3]OCCCc1c[nH]c2c1cccc2 34a_100102524900_200025704644 [0,0,1,0,0,0|3,0,0]=4 115 B15R2.44 CCc1oc2ccccc2c1CNC 207a_100102657272_100000206028 [0,0,1,0,0,0|0,0,0]=1 116 B15R2.44 CCc1oc2ccccc2c1CNC 270004a_106832991635_100000206028 [0,0,1,0,0,0|0,0,0]=1 117 B15R2.44 CCc1sc2ccccc2c1CNC 207a_100102657272_100010627023 [0,0,1,0,0,0|0,1,0]=2 118 B15R2.44 CCc1sc2ccccc2c1CNC 270004a_106832991635_100010627023 [0,0,1,0,0,0|0,1,0]=2 119 B15R2.332 O=C1C=C(CCC1)c2ccccc2O 271570a_100000723966_100000739446 [0,0,1,0,0,0|2,0,1]=4 120 B15R2.1356 CC(OCF)c1cc2ccccc2o1 34a_100000198572_100015361967 [0,0,1,0,0,0|3,0,0]=4 121 B15R2.1356 CC(OCF)c1cc2ccccc2o1 7a_100000198572_100015361967 [0,0,1,0,0,0|3,0,0]=4 122 B15R2.1356 CCNC(C)c1cc2ccccc2[nH]1 269862a_100015525214_100000696822 [0,0,1,0,0,0|3,0,0]=4 123 B15R2.1356 CCNC(C)c1cc2ccccc2o1 269862a_100015525214_100000185295 [0,0,1,0,0,0|2,0,0]=3 124 B15R2.1356 CCNC(C)c1cc2ccccc2s1 269862a_100015525214_100011216072 [0,0,1,0,0,0|2,1,0]=4 125 B15R2.1356 CCOC(C)c1cc2ccccc2o1 34a_100000198572_100000210202 [0,0,1,0,0,0|2,0,0]=3 126 B15R2.1356 CCOC(C)c1cc2ccccc2o1 7a_100000198572_100000210202 [0,0,1,0,0,0|2,0,0]=3 127 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 2230a_106832991635_100012351422 [0,0,1,0,0,0|1,1,1]=4 128 B15R2.1356 CNCC(=O)c1cc2ccccc2s1 7a_106832991635_100012351422 [0,0,1,0,0,0|1,1,1]=4 129 B15R2.1356 CSCC(=O)c1cc2ccccc2o1 62a_200000210301_100000209828 [0,0,1,0,0,0|2,0,1]=4 130 B15R2.1356 [13CH3]SCC(=O)c1cc2ccccc2o1 62a_200025704644_100000209828 [0,0,1,0,0,0|2,0,1]=4 131 B15R2.1592 CNC(C)c1sc2ccccc2c1C 269862a_106832991636_100000217036 [0,0,1,0,0,0|2,1,0]=4 132 B14R2.3 CCCCc1c[nH]c2c1cccn2 271570a_100020621405_100011934613 [1,0,1,0,0,0|2,0,0]=4 133 B14R2.3 CCCCc1c[nH]c2c1ccnc2 271570a_100020621405_100010232032 [1,0,1,0,0,0|2,0,0]=4 134 B14R2.3 CCCCc1c[nH]c2c1cncc2 271570a_100020621405_100011934843 [1,0,1,0,0,0|2,0,0]=4 135 B14R2.3 CCCCc1c[nH]c2c1nccc2 271570a_100020621405_100009817151 [1,0,1,0,0,0|2,0,0]=4 136 B14R2.3 CCCCc1cnc2n1cccc2 271570a_100020621405_100011219245 [1,0,1,0,0,0|2,0,0]=4 137 B14R2.3 CCCCc1cnn2c1cccc2 271570a_100020621405_100009817726 [1,0,1,0,0,0|2,0,0]=4 138 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,1,0,0,0|0,0,0]=2 139 B14R2.3 CCCCc1coc2c1nccc2 271570a_100020621405_100009889148 [1,0,1,0,0,0|1,0,0]=3 140 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,1,0,0,0|0,1,0]=3 141 B14R2.3 CCCCc1csc2c1cccn2 271570a_100020621405_100009830249 [1,0,1,0,0,0|1,1,0]=4 142 B14R2.3 CCCCc1csc2c1ccnc2 271570a_100020621405_100009817111 [1,0,1,0,0,0|1,1,0]=4 143 B14R2.3 CCCCc1csc2c1cncc2 271570a_100020621405_100010247091 [1,0,1,0,0,0|1,1,0]=4 144 B14R2.3 CCCCc1csc2c1nccc2 271570a_100020621405_100010247092 [1,0,1,0,0,0|1,1,0]=4 145 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [1,0,1,0,0,0|2,0,0]=4 146 B14R2.3 CCCNC1COc2c1cccc2 2230a_100000747519_100000210303 [1,0,1,0,0,0|0,0,2]=4 147 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [1,0,1,0,0,0|1,1,0]=4 148 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [1,0,1,0,0,0|1,1,0]=4 149 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [1,0,1,0,0,0|1,0,0]=3 150 B14R2.3 CCCSc1coc2c1nccc2 62a_100000210303_100009889148 [1,0,1,0,0,0|2,0,0]=4 151 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [1,0,1,0,0,0|1,1,0]=4 152 B14R2.3 CCCSc1noc2c1cccc2 62a_100000210303_200000703156 [1,0,1,0,0,0|2,0,0]=4 153 B14R2.3 CCCSc1noc2c1cccc2 62a_200000703156_100000210303 [1,0,1,0,0,0|2,0,0]=4 154 B14R2.3 CCNCc1c[nH]c2c1ccnc2 270004a_100015525214_100000087688 [1,0,1,0,0,0|2,0,0]=4 155 B14R2.3 CCNCc1cnc2n1cccc2 207a_100015525214_100000052358 [1,0,1,0,0,0|2,0,0]=4 156 B14R2.3 CCNCc1cnc2n1cccc2 2230a_100015187830_100000210202 [1,0,1,0,0,0|2,0,0]=4 157 B14R2.3 CCNCc1cnc2n1cccc2 270004a_100015525214_100000052358 [1,0,1,0,0,0|2,0,0]=4 158 B14R2.3 CCNCc1cnn2c1cccc2 207a_100015525214_100011787723 [1,0,1,0,0,0|2,0,0]=4 159 B14R2.3 CCNCc1cnn2c1cccc2 270004a_100015525214_100011787723 [1,0,1,0,0,0|2,0,0]=4 160 B14R2.3 CCNCc1coc2c1cccc2 207a_100015525214_100000688544 [1,0,1,0,0,0|0,0,0]=2 161 B14R2.3 CCNCc1coc2c1cccc2 270004a_100015525214_100000688544 [1,0,1,0,0,0|0,0,0]=2 162 B14R2.3 CCNCc1csc2c1cccc2 207a_100015525214_100000239721 [1,0,1,0,0,0|0,1,0]=3 163 B14R2.3 CCNCc1csc2c1cccc2 2230a_100015525214_200000742921 [1,0,1,0,0,0|0,1,0]=3 164 B14R2.3 CCNCc1csc2c1cccc2 270004a_100015525214_100000239721 [1,0,1,0,0,0|0,1,0]=3 165 B14R2.3 CCNCc1csc2c1cccc2 34a_100000744611_100000210202 [1,0,1,0,0,0|0,1,0]=3 166 B14R2.3 CCNCc1n[nH]c2c1cccc2 207a_100015525214_100000059708 [1,0,1,0,0,0|2,0,0]=4 167 B14R2.3 CCNCc1n[nH]c2c1cccc2 270004a_100015525214_100000059708 [1,0,1,0,0,0|2,0,0]=4 168 B14R2.3 CCNN=C1COc2c1cccc2 4a_100000756455_100000185568 [1,0,1,0,0,0|1,0,1]=4 169 B14R2.3 CCOCc1csc2c1cccc2 34a_100011219454_100000210202 [1,0,1,0,0,0|1,1,0]=4 170 B14R2.3 CCOCc1csc2c1cccc2 34a_100121572206_200000742921 [1,0,1,0,0,0|1,1,0]=4 171 B14R2.3 CCOCc1noc2c1cccc2 34a_100121572206_100009813815 [1,0,1,0,0,0|2,0,0]=4 172 B14R2.3 CCSCc1csc2c1cccc2 62a_100000210202_200000742921 [1,0,1,0,0,0|1,1,0]=4 173 B14R2.3 CCSCc1csc2c1cccc2 62a_200000742921_100000210202 [1,0,1,0,0,0|1,1,0]=4 174 B14R2.3 CCSCc1noc2c1cccc2 62a_100000210202_100009813815 [1,0,1,0,0,0|2,0,0]=4 175 B14R2.3 CCSCc1noc2c1cccc2 62a_100009813815_100000210202 [1,0,1,0,0,0|2,0,0]=4 176 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [1,0,1,0,0,0|2,0,0]=4 177 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [1,0,1,0,0,0|2,0,0]=4 178 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [1,0,1,0,0,0|2,0,0]=4 179 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [1,0,1,0,0,0|2,0,0]=4 180 B14R2.3 CNCCc1coc2c1cccc2 2230a_100011934666_200000210301 [1,0,1,0,0,0|1,0,0]=3 181 B14R2.3 CNCCc1coc2c1cccc2 34a_100011934666_200000210301 [1,0,1,0,0,0|1,0,0]=3 182 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [1,0,1,0,0,0|2,0,0]=4 183 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [1,0,1,0,0,0|2,0,0]=4 184 B14R2.3 COCSc1coc2c1cccc2 62a_100000766300_100009812202 [1,0,1,0,0,0|2,0,0]=4 185 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [1,0,1,0,0,0|2,0,0]=4 186 B14R2.3 CSCSc1coc2c1cccc2 62a_100011218213_100009812202 [1,0,1,0,0,0|2,0,0]=4 187 B14R2.3 FCCSc1coc2c1cccc2 62a_100011217306_100009812202 [1,0,1,0,0,0|2,0,0]=4 188 B14R2.3 FCNCc1csc2c1cccc2 34a_100000744611_100015361967 [1,0,1,0,0,0|1,1,0]=4 189 B14R2.3 OCCSc1coc2c1cccc2 62a_100000211926_100009812202 [1,0,1,0,0,0|2,0,0]=4 190 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [1,0,1,0,0,0|2,0,0]=4 191 B14R2.3 [13CH3]NCCc1coc2c1cccc2 2230a_100011934666_200025704644 [1,0,1,0,0,0|1,0,0]=3 192 B14R2.3 [13CH3]NCCc1coc2c1cccc2 34a_100011934666_200025704644 [1,0,1,0,0,0|1,0,0]=3 193 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [1,0,1,0,0,0|2,0,0]=4 195 B14R2.24 Brc1ccccc1C2=CCCCC2 271570a_100000062251_100000695589 [1,0,1,0,0,0|2,0,0]=4 196 B14R2.24 Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000210755 [1,0,1,0,0,0|2,0,0]=4 197 B14R2.24 Clc1ccccc1C2=CCCCC2 271570a_100000062251_100000764095 [1,0,1,0,0,0|2,0,0]=4 198 B14R2.24 Fc1ccccc1C2=CCCCC2 271570a_100000062251_100011215700 [1,0,1,0,0,0|2,0,0]=4 199 B14R2.24 Nc1ccccc1C2=CCCCC2 271570a_100000062251_100000210017 [1,0,1,0,0,0|2,0,0]=4 200 B14R2.24 Oc1ccccc1C2=CCCCC2 271570a_100000062251_100000739446 [1,0,1,0,0,0|1,0,0]=3 201 B14R2.24 Oc1ccccc1C2=CCCCO2 271570a_100010177797_100000739446 [1,0,1,0,0,0|2,0,0]=4 202 B14R2.24 Oc1ccccc1C2=CCNCC2 271570a_100000731432_100000739446 [1,0,1,0,0,0|2,0,0]=4 203 B14R2.24 Oc1ccccc1C2=CCOCC2 271570a_100000070234_100000739446 [1,0,1,0,0,0|2,0,0]=4 204 B14R2.24 Oc1ccccc1C2=CCSCC2 271570a_100010232141_100000739446 [1,0,1,0,0,0|2,0,0]=4 205 B14R2.24 Oc1ccccc1C2=COCCC2 271570a_100010175576_100000739446 [1,0,1,0,0,0|2,0,0]=4 206 B14R2.24 Oc1ccccc1C2CNCCN2 271570a_203496583355_200010178367 [1,0,1,0,0,0|1,0,1]=4 207 B14R2.24 Oc1cccnc1C2=CCCCC2 271570a_100000062251_100000034122 [1,0,1,0,0,0|2,0,0]=4 208 B14R2.24 Oc1cnccc1C2=CCCCC2 271570a_100000062251_100009817591 [1,0,1,0,0,0|2,0,0]=4 209 B14R2.517 CC=Cc1c(oc2c1cccc2)C 271570a_100016259895_200010236113 [1,0,1,0,0,0|1,0,1]=4 210 B14R2.517 CCSc1c(oc2c1cccc2)C 62a_100000210202_200010236113 [1,0,1,0,0,0|2,0,0]=4 211 B14R2.517 CNCc1c(nc2n1cccc2)C 207a_100102657272_100000182234 [1,0,1,0,0,0|2,0,0]=4 212 B14R2.517 CNCc1c(sc2c1cccc2)C 207a_100102657272_100000066825 [1,0,1,0,0,0|0,1,0]=3 213 B14R2.517 CNCc1c(sc2c1cccc2)C 270004a_106832991635_100000066825 [1,0,1,0,0,0|0,1,0]=3 214 B14R2.517 CNCc1c2ccccc2nn1C 207a_100102657272_100000066482 [1,0,1,0,0,0|2,0,0]=4 215 B14R2.517 CNCc1c2ccccc2nn1C 270004a_106832991635_100000066482 [1,0,1,0,0,0|2,0,0]=4 216 B14R2.67 CCCCc1cc2ccccc2[nH]1 271570a_100020621405_100010232065 [1,0,1,0,0,0|2,0,0]=4 217 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [1,0,1,0,0,0|1,0,0]=3 218 B14R2.67 CCCCc1cc2ccccc2s1 271570a_100020621405_100009816949 [1,0,1,0,0,0|1,1,0]=4 219 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [1,0,1,0,0,0|2,0,0]=4 220 B14R2.67 CCNCc1cc2ccccc2o1 207a_100015525214_100000229944 [1,0,1,0,0,0|2,0,0]=4 221 B14R2.67 CCNCc1cc2ccccc2o1 270004a_100015525214_100000229944 [1,0,1,0,0,0|2,0,0]=4 222 B14R2.67 CCOCc1cc2ccccc2o1 34a_100000233474_100000210202 [1,0,1,0,0,0|2,0,0]=4 223 B14R2.67 CCOCc1cc2ccccc2o1 7a_100000233474_100000210202 [1,0,1,0,0,0|2,0,0]=4 224 B14R2.67 CNCCc1cn2ccccc2n1 2230a_100000689867_200000210301 [1,0,1,0,0,0|2,0,0]=4 225 B14R2.67 CNCCc1nc2ccccc2[nH]1 7a_106832991635_100015206048 [1,0,1,0,0,0|2,0,0]=4 226 B14R2.67 COCCc1cc2ccccc2o1 34a_100011996023_200000210301 [1,0,1,0,0,0|1,0,0]=3 227 B14R2.67 COCCc1cc2ccccc2o1 7a_100011996023_200000210301 [1,0,1,0,0,0|1,0,0]=3 228 B14R2.67 COCSc1cc2ccccc2o1 62a_100000766300_100010159458 [1,0,1,0,0,0|2,0,0]=4 229 B14R2.67 CSCSc1cc2ccccc2o1 62a_100011218213_100010159458 [1,0,1,0,0,0|2,0,0]=4 230 B14R2.67 [13CH3]NCCc1cn2ccccc2n1 2230a_100000689867_200025704644 [1,0,1,0,0,0|2,0,0]=4 231 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 34a_100011996023_200025704644 [1,0,1,0,0,0|1,0,0]=3 232 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 7a_100011996023_200025704644 [1,0,1,0,0,0|1,0,0]=3 233 B14R2.972 CC(N[13CH3])c1nc2ccccc2s1 2230a_100000213967_200025704644 [1,0,1,0,0,0|1,1,0]=4 234 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 34a_100000198572_200025704644 [1,0,1,0,0,0|1,0,0]=3 235 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 7a_100000198572_200025704644 [1,0,1,0,0,0|1,0,0]=3 236 B14R2.972 CNC(C)c1cc2ccccc2[nH]1 269862a_106832991636_100000696822 [1,0,1,0,0,0|1,0,0]=3 237 B14R2.972 CNC(C)c1cc2ccccc2o1 269862a_106832991636_100000185295 [1,0,1,0,0,0|0,0,0]=2 238 B14R2.972 CNC(C)c1cc2ccccc2s1 269862a_106832991636_100011216072 [1,0,1,0,0,0|0,1,0]=3 239 B14R2.972 CNC(C)c1cc2ccccn2c1 269862a_106832991636_200000069729 [1,0,1,0,0,0|2,0,0]=4 240 B14R2.972 CNC(C)c1nc2ccccc2[nH]1 270004a_106832991635_100000199114 [1,0,1,0,0,0|2,0,0]=4 241 B14R2.972 CNC(C)c1nc2ccccc2s1 2230a_100000213967_200000210301 [1,0,1,0,0,0|1,1,0]=4 242 B14R2.972 CN[C@@H](C)c1nc2ccccc2[nH]1 2230a_100015206438_200000210301 [1,0,1,0,0,0|2,0,0]=4 243 B14R2.972 COC(C)c1cc2ccccc2o1 34a_100000198572_200000210301 [1,0,1,0,0,0|1,0,0]=3 244 B14R2.972 COC(C)c1cc2ccccc2o1 7a_100000198572_200000210301 [1,0,1,0,0,0|1,0,0]=3 245 B14R2.972 C[C@H](N[13CH3])c1nc2ccccc2[nH]1 2230a_100015206438_200025704644 [1,0,1,0,0,0|2,0,0]=4 246 B14R2.44 CNCc1oc2ccccc2c1C 207a_100102657272_100000077534 [1,0,1,0,0,0|2,0,0]=4 247 B14R2.44 CNCc1oc2ccccc2c1C 2230a_100153394726_200000210301 [1,0,1,0,0,0|2,0,0]=4 248 B14R2.44 CNCc1oc2ccccc2c1C 270004a_106832991635_100000077534 [1,0,1,0,0,0|2,0,0]=4 249 B14R2.44 CNCc1oc2ccccc2c1C 34a_100153394726_200000210301 [1,0,1,0,0,0|2,0,0]=4 250 B14R2.44 Cc1c(oc2c1cccc2)CN[13CH3] 2230a_100153394726_200025704644 [1,0,1,0,0,0|2,0,0]=4 251 B14R2.44 Cc1c(oc2c1cccc2)CN[13CH3] 34a_100153394726_200025704644 [1,0,1,0,0,0|2,0,0]=4 252 B16R2.5 C#CCN(C)Cc1coc2c1cccc2 270004a_100000225692_100000688544 [0,1,1,0,0,0|0,0,2]=4 253 B16R2.5 C=CCN(C)Cc1coc2c1cccc2 270004a_100000225617_100000688544 [0,1,1,0,0,0|0,0,2]=4 254 B16R2.5 CCCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210303 [0,1,1,0,0,0|2,0,0]=4 255 B16R2.5 CCCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210303 [0,1,1,0,0,0|1,0,0]=3 256 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000211992_200000742921 [0,1,1,0,0,0|1,1,0]=4 257 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210303 [0,1,1,0,0,0|1,1,0]=4 258 B16R2.5 CCCC(=O)Cc1noc2c1cccc2 1458a_100000205995_100000210303 [0,1,1,0,0,0|2,0,0]=4 259 B16R2.5 CCCC(=O)Cc1noc2c1cccc2 1458a_100000211992_100009813815 [0,1,1,0,0,0|2,0,0]=4 260 B16R2.5 CCCC(C)Sc1coc2c1cccc2 62a_100000766640_100009812202 [0,1,1,0,0,0|2,0,0]=4 261 B16R2.5 CCCN(C)Cc1c[nH]c2c1ccnc2 270004a_100000747261_100000087688 [0,1,1,0,0,0|2,0,0]=4 262 B16R2.5 CCCN(C)Cc1cnc2n1cccc2 2230a_100015184908_100000210303 [0,1,1,0,0,0|2,0,0]=4 263 B16R2.5 CCCN(C)Cc1cnc2n1cccc2 269982a_100015184908_100000210303 [0,1,1,0,0,0|2,0,0]=4 264 B16R2.5 CCCN(C)Cc1cnc2n1cccc2 270004a_100000747261_100000052358 [0,1,1,0,0,0|2,0,0]=4 265 B16R2.5 CCCN(C)Cc1cnn2c1cccc2 270004a_100000747261_100011787723 [0,1,1,0,0,0|2,0,0]=4 266 B16R2.5 CCCN(C)Cc1coc2c1cccc2 270004a_100000747261_100000688544 [0,1,1,0,0,0|0,0,0]=2 267 B16R2.5 CCCN(C)Cc1csc2c1cccc2 2230a_100000747261_200000742921 [0,1,1,0,0,0|0,1,0]=3 268 B16R2.5 CCCN(C)Cc1csc2c1cccc2 269982a_100000747261_200000742921 [0,1,1,0,0,0|0,1,0]=3 269 B16R2.5 CCCN(C)Cc1csc2c1cccc2 270004a_100000747261_100000239721 [0,1,1,0,0,0|0,1,0]=3 270 B16R2.5 CCCN(C)Cc1n[nH]c2c1cccc2 270004a_100000747261_100000059708 [0,1,1,0,0,0|2,0,0]=4 271 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 11a_100015525214_100000217546 [0,1,1,0,0,0|2,0,0]=4 272 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 240690a_100015525214_100000217546 [0,1,1,0,0,0|2,0,0]=4 273 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 527a_100015525214_100000217546 [0,1,1,0,0,0|2,0,0]=4 274 B16R2.5 CN(CCO)Cc1coc2c1cccc2 270004a_100000210263_100000688544 [0,1,1,0,0,0|1,0,0]=3 275 B16R2.5 CN(CCO)Cc1csc2c1cccc2 2230a_100000210263_200000742921 [0,1,1,0,0,0|1,1,0]=4 276 B16R2.5 CN(CCO)Cc1csc2c1cccc2 269982a_100000210263_200000742921 [0,1,1,0,0,0|1,1,0]=4 277 B16R2.5 CN(CCO)Cc1csc2c1cccc2 270004a_100000210263_100000239721 [0,1,1,0,0,0|1,1,0]=4 278 B16R2.5 O=C(CCF)Cc1coc2c1cccc2 1458a_100000217546_100011217306 [0,1,1,0,0,0|2,0,0]=4 279 B16R2.5 O=C(CCO)Cc1coc2c1cccc2 1458a_100000217546_100000211926 [0,1,1,0,0,0|2,0,0]=4 280 B16R2.6 BrCCCOCc1csc2c1cccc2 34a_100011217188_200000742921 [0,1,1,0,0,0|1,1,0]=4 281 B16R2.6 BrCCCOCc1noc2c1cccc2 34a_100011217188_100009813815 [0,1,1,0,0,0|2,0,0]=4 282 B16R2.6 C#CCCNCc1csc2c1cccc2 34a_100000744611_100000688953 [0,1,1,0,0,0|0,1,1]=4 283 B16R2.6 C#CCCNCc1csc2c1cccc2 34a_100000755551_200000742921 [0,1,1,0,0,0|0,1,1]=4 284 B16R2.6 C#CCCNCc1noc2c1cccc2 34a_100000755551_100009813815 [0,1,1,0,0,0|1,0,1]=4 285 B16R2.6 C#CCNCCc1coc2c1cccc2 2230a_100011934666_100000038162 [0,1,1,0,0,0|0,0,2]=4 286 B16R2.6 C#CCNCCc1coc2c1cccc2 34a_100011934666_100000184674 [0,1,1,0,0,0|0,0,2]=4 287 B16R2.6 C/C=C/CNCc1csc2c1cccc2 34a_100000744611_100102629194 [0,1,1,0,0,0|0,1,1]=4 288 B16R2.6 C=CCCNCc1coc2c1cccc2 207a_100015191253_100000688544 [0,1,1,0,0,0|0,0,1]=3 289 B16R2.6 C=CCCNCc1coc2c1cccc2 270004a_100015191253_100000688544 [0,1,1,0,0,0|0,0,1]=3 290 B16R2.6 C=CCCNCc1csc2c1cccc2 207a_100015191253_100000239721 [0,1,1,0,0,0|0,1,1]=4 291 B16R2.6 C=CCCNCc1csc2c1cccc2 2230a_100015191253_200000742921 [0,1,1,0,0,0|0,1,1]=4 292 B16R2.6 C=CCCNCc1csc2c1cccc2 270004a_100015191253_100000239721 [0,1,1,0,0,0|0,1,1]=4 293 B16R2.6 C=CCCNCc1csc2c1cccc2 34a_100000744611_100000754431 [0,1,1,0,0,0|0,1,1]=4 294 B16R2.6 C=CCNCCc1coc2c1cccc2 2230a_100011934666_100000210623 [0,1,1,0,0,0|0,0,2]=4 295 B16R2.6 C=CCNCCc1coc2c1cccc2 34a_100011934666_100015514636 [0,1,1,0,0,0|0,0,2]=4 296 B16R2.6 CC#CCNCc1csc2c1cccc2 2230a_100000685387_200000742921 [0,1,1,0,0,0|0,1,1]=4 297 B16R2.6 CC#CCNCc1csc2c1cccc2 34a_100000685387_200000742921 [0,1,1,0,0,0|0,1,1]=4 298 B16R2.6 CC#CCNCc1csc2c1cccc2 34a_100000744611_100000748600 [0,1,1,0,0,0|0,1,1]=4 299 B16R2.6 CC#CCNCc1noc2c1cccc2 34a_100000685387_100009813815 [0,1,1,0,0,0|1,0,1]=4 300 B16R2.6 CC/C=C\CSc1coc2c1cccc2 62a_100103147603_100009812202 [0,1,1,0,0,0|1,0,1]=4 301 B16R2.6 CC=CCNCc1csc2c1cccc2 34a_100000744611_100000070051 [0,1,1,0,0,0|0,1,1]=4 302 B16R2.6 CCC#CCSc1coc2c1cccc2 62a_100009813939_100009812202 [0,1,1,0,0,0|1,0,1]=4 303 B16R2.6 CCCCC=Cc1coc2c1cccc2 271570a_100016275911_100009812202 [0,1,1,0,0,0|1,0,1]=4 304 B16R2.6 CCCCCOc1csc2c1cccc2 34a_100000077758_100000718602 [0,1,1,0,0,0|1,1,0]=4 305 B16R2.6 CCCCCOc1csc2c1cccc2 7a_100000077758_100000210326 [0,1,1,0,0,0|1,1,0]=4 306 B16R2.6 CCCCCSc1coc2c1cccc2 62a_100000210326_100009812202 [0,1,1,0,0,0|1,0,0]=3 307 B16R2.6 CCCCCSc1coc2c1nccc2 62a_100000210326_100009889148 [0,1,1,0,0,0|2,0,0]=4 308 B16R2.6 CCCCCSc1csc2c1cccc2 62a_100000210326_100009813928 [0,1,1,0,0,0|1,1,0]=4 309 B16R2.6 CCCCCSc1noc2c1cccc2 62a_100000210326_200000703156 [0,1,1,0,0,0|2,0,0]=4 310 B16R2.6 CCCCCSc1noc2c1cccc2 62a_200000703156_100000210326 [0,1,1,0,0,0|2,0,0]=4 311 B16R2.6 CCCCNCc1c[nH]c2c1ccnc2 270004a_100000102301_100000087688 [0,1,1,0,0,0|2,0,0]=4 312 B16R2.6 CCCCNCc1cnc2n1cccc2 207a_100000102301_100000052358 [0,1,1,0,0,0|2,0,0]=4 313 B16R2.6 CCCCNCc1cnc2n1cccc2 2230a_100015187830_100000210211 [0,1,1,0,0,0|2,0,0]=4 314 B16R2.6 CCCCNCc1cnc2n1cccc2 270004a_100000102301_100000052358 [0,1,1,0,0,0|2,0,0]=4 315 B16R2.6 CCCCNCc1cnn2c1cccc2 207a_100000102301_100011787723 [0,1,1,0,0,0|2,0,0]=4 316 B16R2.6 CCCCNCc1cnn2c1cccc2 270004a_100000102301_100011787723 [0,1,1,0,0,0|2,0,0]=4 317 B16R2.6 CCCCNCc1coc2c1cccc2 207a_100000102301_100000688544 [0,1,1,0,0,0|0,0,0]=2 318 B16R2.6 CCCCNCc1coc2c1cccc2 270004a_100000102301_100000688544 [0,1,1,0,0,0|0,0,0]=2 319 B16R2.6 CCCCNCc1csc2c1cccc2 207a_100000102301_100000239721 [0,1,1,0,0,0|0,1,0]=3 320 B16R2.6 CCCCNCc1csc2c1cccc2 2230a_100000102301_200000742921 [0,1,1,0,0,0|0,1,0]=3 321 B16R2.6 CCCCNCc1csc2c1cccc2 270004a_100000102301_100000239721 [0,1,1,0,0,0|0,1,0]=3 322 B16R2.6 CCCCNCc1csc2c1cccc2 34a_100000744611_100000210210 [0,1,1,0,0,0|0,1,0]=3 323 B16R2.6 CCCCNCc1n[nH]c2c1cccc2 207a_100000102301_100000059708 [0,1,1,0,0,0|2,0,0]=4 324 B16R2.6 CCCCNCc1n[nH]c2c1cccc2 270004a_100000102301_100000059708 [0,1,1,0,0,0|2,0,0]=4 325 B16R2.6 CCCCNCc1noc2c1cccc2 7a_106832991798_100009813815 [0,1,1,0,0,0|1,0,0]=3 326 B16R2.6 CCCCNN=C1COc2c1cccc2 4a_100025702795_100000185568 [0,1,1,0,0,0|1,0,1]=4 327 B16R2.6 CCCCOCc1csc2c1cccc2 34a_100000210227_200000742921 [0,1,1,0,0,0|1,1,0]=4 328 B16R2.6 CCCCOCc1csc2c1cccc2 34a_100011219454_100000210210 [0,1,1,0,0,0|1,1,0]=4 329 B16R2.6 CCCCOCc1noc2c1cccc2 34a_100000210227_100009813815 [0,1,1,0,0,0|2,0,0]=4 330 B16R2.6 CCCCOCc1noc2c1cccc2 7a_100000210227_100009813815 [0,1,1,0,0,0|2,0,0]=4 331 B16R2.6 CCCCSCc1csc2c1cccc2 62a_100000210211_200000742921 [0,1,1,0,0,0|1,1,0]=4 332 B16R2.6 CCCCSCc1csc2c1cccc2 62a_200000742921_100000210210 [0,1,1,0,0,0|1,1,0]=4 333 B16R2.6 CCCCSCc1noc2c1cccc2 62a_100000210211_100009813815 [0,1,1,0,0,0|2,0,0]=4 334 B16R2.6 CCCCSCc1noc2c1cccc2 62a_100009813815_100000210210 [0,1,1,0,0,0|2,0,0]=4 335 B16R2.6 CCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210303 [0,1,1,0,0,0|1,0,0]=3 336 B16R2.6 CCCNCCc1coc2c1cccc2 2230a_100011934666_100000210303 [0,1,1,0,0,0|0,0,0]=2 337 B16R2.6 CCCNCCc1coc2c1cccc2 34a_100011934666_100000210303 [0,1,1,0,0,0|0,0,0]=2 338 B16R2.6 CCCNN=Cc1c[nH]c2c1cccc2 4a_100000740057_100000182151 [0,1,1,0,0,0|1,0,1]=4 339 B16R2.6 CCCNN=Cc1coc2c1cccc2 4a_100000740057_100000688544 [0,1,1,0,0,0|0,0,1]=3 340 B16R2.6 CCCNN=Cc1csc2c1cccc2 4a_100000740057_100000239721 [0,1,1,0,0,0|0,1,1]=4 341 B16R2.6 CCCOCCc1c[nH]c2c1cccc2 34a_100000210258_100011218569 [0,1,1,0,0,0|2,0,0]=4 342 B16R2.6 CCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210303 [0,1,1,0,0,0|2,0,0]=4 343 B16R2.6 CCCSCCc1c[nH]c2c1cccc2 62a_100000210303_100011218569 [0,1,1,0,0,0|2,0,0]=4 344 B16R2.6 CCOCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210202 [0,1,1,0,0,0|2,0,0]=4 345 B16R2.6 CCOCCSc1coc2c1cccc2 62a_100000210147_100009812202 [0,1,1,0,0,0|2,0,0]=4 346 B16R2.6 CCOCSCc1csc2c1cccc2 62a_100000739092_200000742921 [0,1,1,0,0,0|1,1,0]=4 347 B16R2.6 CCOCSCc1csc2c1cccc2 62a_200000742921_100000739092 [0,1,1,0,0,0|1,1,0]=4 348 B16R2.6 CCOCSCc1noc2c1cccc2 62a_100000739092_100009813815 [0,1,1,0,0,0|2,0,0]=4 349 B16R2.6 CCOCSCc1noc2c1cccc2 62a_100009813815_100000739092 [0,1,1,0,0,0|2,0,0]=4 350 B16R2.6 CCSCCSc1coc2c1cccc2 62a_100000757381_100009812202 [0,1,1,0,0,0|2,0,0]=4 351 B16R2.6 COCCCSc1coc2c1cccc2 62a_100000709357_100009812202 [0,1,1,0,0,0|2,0,0]=4 352 B16R2.6 COCCNCc1c[nH]c2c1ccnc2 270004a_100000209980_100000087688 [0,1,1,0,0,0|2,0,0]=4 353 B16R2.6 COCCNCc1cnc2n1cccc2 207a_100000209980_100000052358 [0,1,1,0,0,0|2,0,0]=4 354 B16R2.6 COCCNCc1cnc2n1cccc2 2230a_100015187830_100011201679 [0,1,1,0,0,0|2,0,0]=4 355 B16R2.6 COCCNCc1cnc2n1cccc2 270004a_100000209980_100000052358 [0,1,1,0,0,0|2,0,0]=4 356 B16R2.6 COCCNCc1cnn2c1cccc2 207a_100000209980_100011787723 [0,1,1,0,0,0|2,0,0]=4 357 B16R2.6 COCCNCc1cnn2c1cccc2 270004a_100000209980_100011787723 [0,1,1,0,0,0|2,0,0]=4 358 B16R2.6 COCCNCc1coc2c1cccc2 207a_100000209980_100000688544 [0,1,1,0,0,0|0,0,0]=2 359 B16R2.6 COCCNCc1coc2c1cccc2 270004a_100000209980_100000688544 [0,1,1,0,0,0|0,0,0]=2 360 B16R2.6 COCCNCc1csc2c1cccc2 207a_100000209980_100000239721 [0,1,1,0,0,0|0,1,0]=3 361 B16R2.6 COCCNCc1csc2c1cccc2 2230a_100000209980_200000742921 [0,1,1,0,0,0|0,1,0]=3 362 B16R2.6 COCCNCc1csc2c1cccc2 270004a_100000209980_100000239721 [0,1,1,0,0,0|0,1,0]=3 363 B16R2.6 COCCNCc1csc2c1cccc2 34a_100000744611_100011201679 [0,1,1,0,0,0|0,1,0]=3 364 B16R2.6 COCCNCc1n[nH]c2c1cccc2 207a_100000209980_100000059708 [0,1,1,0,0,0|2,0,0]=4 365 B16R2.6 COCCNCc1n[nH]c2c1cccc2 270004a_100000209980_100000059708 [0,1,1,0,0,0|2,0,0]=4 366 B16R2.6 COCCOCc1csc2c1cccc2 34a_100000210237_200000742921 [0,1,1,0,0,0|1,1,0]=4 367 B16R2.6 COCCOCc1csc2c1cccc2 34a_100011219454_100011201679 [0,1,1,0,0,0|1,1,0]=4 368 B16R2.6 COCCOCc1noc2c1cccc2 34a_100000210237_100009813815 [0,1,1,0,0,0|2,0,0]=4 369 B16R2.6 COCCSCc1csc2c1cccc2 62a_100000233755_200000742921 [0,1,1,0,0,0|1,1,0]=4 370 B16R2.6 COCCSCc1csc2c1cccc2 62a_200000742921_100000233755 [0,1,1,0,0,0|1,1,0]=4 371 B16R2.6 COCCSCc1noc2c1cccc2 62a_100000233755_100009813815 [0,1,1,0,0,0|2,0,0]=4 372 B16R2.6 COCCSCc1noc2c1cccc2 62a_100009813815_100000233755 [0,1,1,0,0,0|2,0,0]=4 373 B16R2.6 COCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000766300 [0,1,1,0,0,0|2,0,0]=4 374 B16R2.6 COCNCCc1coc2c1cccc2 2230a_100011934666_100000766300 [0,1,1,0,0,0|1,0,0]=3 375 B16R2.6 CSCCNCc1c[nH]c2c1ccnc2 270004a_100020590264_100000087688 [0,1,1,0,0,0|2,0,0]=4 376 B16R2.6 CSCCNCc1cnc2n1cccc2 207a_100020590264_100000052358 [0,1,1,0,0,0|2,0,0]=4 377 B16R2.6 CSCCNCc1cnc2n1cccc2 2230a_100015187830_100000751147 [0,1,1,0,0,0|2,0,0]=4 378 B16R2.6 CSCCNCc1cnc2n1cccc2 270004a_100020590264_100000052358 [0,1,1,0,0,0|2,0,0]=4 379 B16R2.6 CSCCNCc1cnn2c1cccc2 207a_100020590264_100011787723 [0,1,1,0,0,0|2,0,0]=4 380 B16R2.6 CSCCNCc1cnn2c1cccc2 270004a_100020590264_100011787723 [0,1,1,0,0,0|2,0,0]=4 381 B16R2.6 CSCCNCc1coc2c1cccc2 207a_100020590264_100000688544 [0,1,1,0,0,0|0,0,0]=2 382 B16R2.6 CSCCNCc1coc2c1cccc2 270004a_100020590264_100000688544 [0,1,1,0,0,0|0,0,0]=2 383 B16R2.6 CSCCNCc1csc2c1cccc2 207a_100020590264_100000239721 [0,1,1,0,0,0|0,1,0]=3 384 B16R2.6 CSCCNCc1csc2c1cccc2 2230a_100020590264_200000742921 [0,1,1,0,0,0|0,1,0]=3 385 B16R2.6 CSCCNCc1csc2c1cccc2 270004a_100020590264_100000239721 [0,1,1,0,0,0|0,1,0]=3 386 B16R2.6 CSCCNCc1csc2c1cccc2 34a_100000744611_100000212216 [0,1,1,0,0,0|0,1,0]=3 387 B16R2.6 CSCCNCc1n[nH]c2c1cccc2 207a_100020590264_100000059708 [0,1,1,0,0,0|2,0,0]=4 388 B16R2.6 CSCCNCc1n[nH]c2c1cccc2 270004a_100020590264_100000059708 [0,1,1,0,0,0|2,0,0]=4 389 B16R2.6 CSCCOCc1csc2c1cccc2 34a_100000230434_200000742921 [0,1,1,0,0,0|1,1,0]=4 390 B16R2.6 CSCCOCc1csc2c1cccc2 34a_100011219454_100000212216 [0,1,1,0,0,0|1,1,0]=4 391 B16R2.6 CSCCOCc1noc2c1cccc2 34a_100000230434_100009813815 [0,1,1,0,0,0|2,0,0]=4 392 B16R2.6 CSCCOCc1noc2c1cccc2 7a_100000230434_100009813815 [0,1,1,0,0,0|2,0,0]=4 393 B16R2.6 CSCCSCc1csc2c1cccc2 62a_100000212216_200000742921 [0,1,1,0,0,0|1,1,0]=4 394 B16R2.6 CSCCSCc1csc2c1cccc2 62a_200000742921_100000751147 [0,1,1,0,0,0|1,1,0]=4 395 B16R2.6 CSCCSCc1noc2c1cccc2 62a_100000212216_100009813815 [0,1,1,0,0,0|2,0,0]=4 396 B16R2.6 CSCCSCc1noc2c1cccc2 62a_100009813815_100000751147 [0,1,1,0,0,0|2,0,0]=4 397 B16R2.6 CSCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011218213 [0,1,1,0,0,0|2,0,0]=4 398 B16R2.6 CSCNCCc1coc2c1cccc2 2230a_100011934666_100011218213 [0,1,1,0,0,0|1,0,0]=3 399 B16R2.6 CSCNCCc1coc2c1cccc2 34a_100011934666_100011218213 [0,1,1,0,0,0|1,0,0]=3 400 B16R2.6 ClCCCOCc1csc2c1cccc2 34a_100000230001_200000742921 [0,1,1,0,0,0|1,1,0]=4 401 B16R2.6 ClCCCOCc1noc2c1cccc2 34a_100000230001_100009813815 [0,1,1,0,0,0|2,0,0]=4 402 B16R2.6 FCCCCSc1coc2c1cccc2 62a_100000729493_100009812202 [0,1,1,0,0,0|2,0,0]=4 403 B16R2.6 FCCCNCc1c[nH]c2c1ccnc2 270004a_100015189416_100000087688 [0,1,1,0,0,0|2,0,0]=4 404 B16R2.6 FCCCNCc1cnc2n1cccc2 207a_100015189416_100000052358 [0,1,1,0,0,0|2,0,0]=4 405 B16R2.6 FCCCNCc1cnc2n1cccc2 2230a_100015187830_100011934791 [0,1,1,0,0,0|2,0,0]=4 406 B16R2.6 FCCCNCc1cnc2n1cccc2 270004a_100015189416_100000052358 [0,1,1,0,0,0|2,0,0]=4 407 B16R2.6 FCCCNCc1cnn2c1cccc2 207a_100015189416_100011787723 [0,1,1,0,0,0|2,0,0]=4 408 B16R2.6 FCCCNCc1cnn2c1cccc2 270004a_100015189416_100011787723 [0,1,1,0,0,0|2,0,0]=4 409 B16R2.6 FCCCNCc1coc2c1cccc2 207a_100015189416_100000688544 [0,1,1,0,0,0|0,0,0]=2 410 B16R2.6 FCCCNCc1coc2c1cccc2 270004a_100015189416_100000688544 [0,1,1,0,0,0|0,0,0]=2 411 B16R2.6 FCCCNCc1csc2c1cccc2 207a_100015189416_100000239721 [0,1,1,0,0,0|0,1,0]=3 412 B16R2.6 FCCCNCc1csc2c1cccc2 2230a_100015189416_200000742921 [0,1,1,0,0,0|0,1,0]=3 413 B16R2.6 FCCCNCc1csc2c1cccc2 270004a_100015189416_100000239721 [0,1,1,0,0,0|0,1,0]=3 414 B16R2.6 FCCCNCc1csc2c1cccc2 34a_100000744611_100011934791 [0,1,1,0,0,0|0,1,0]=3 415 B16R2.6 FCCCNCc1csc2c1cccc2 34a_100015189416_200000742921 [0,1,1,0,0,0|0,1,0]=3 416 B16R2.6 FCCCNCc1n[nH]c2c1cccc2 207a_100015189416_100000059708 [0,1,1,0,0,0|2,0,0]=4 417 B16R2.6 FCCCNCc1n[nH]c2c1cccc2 270004a_100015189416_100000059708 [0,1,1,0,0,0|2,0,0]=4 418 B16R2.6 FCCCNCc1noc2c1cccc2 34a_100015189416_100009813815 [0,1,1,0,0,0|1,0,0]=3 419 B16R2.6 FCCCOCc1csc2c1cccc2 34a_100000759539_200000742921 [0,1,1,0,0,0|1,1,0]=4 420 B16R2.6 FCCCOCc1csc2c1cccc2 34a_100011219454_100011934791 [0,1,1,0,0,0|1,1,0]=4 421 B16R2.6 FCCCOCc1noc2c1cccc2 34a_100000759539_100009813815 [0,1,1,0,0,0|2,0,0]=4 422 B16R2.6 FCCCSCc1csc2c1cccc2 62a_100011934791_200000742921 [0,1,1,0,0,0|1,1,0]=4 423 B16R2.6 FCCCSCc1csc2c1cccc2 62a_200000742921_100011934791 [0,1,1,0,0,0|1,1,0]=4 424 B16R2.6 FCCCSCc1noc2c1cccc2 62a_100009813815_100011934791 [0,1,1,0,0,0|2,0,0]=4 425 B16R2.6 FCCCSCc1noc2c1cccc2 62a_100011934791_100009813815 [0,1,1,0,0,0|2,0,0]=4 426 B16R2.6 FCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011217306 [0,1,1,0,0,0|2,0,0]=4 427 B16R2.6 FCCNCCc1c[nH]c2c1cccc2 34a_100000724931_100011218569 [0,1,1,0,0,0|2,0,0]=4 428 B16R2.6 FCCNCCc1coc2c1cccc2 2230a_100011934666_100011217306 [0,1,1,0,0,0|1,0,0]=3 429 B16R2.6 FCCNCCc1coc2c1cccc2 34a_100011934666_100011217306 [0,1,1,0,0,0|1,0,0]=3 430 B16R2.6 N#CCCNCc1coc2c1cccc2 270004a_100000720768_100000688544 [0,1,1,0,0,0|0,0,1]=3 431 B16R2.6 N#CCCNCc1csc2c1cccc2 270004a_100000720768_100000239721 [0,1,1,0,0,0|0,1,1]=4 432 B16R2.6 N#CCNCCc1coc2c1cccc2 2230a_100011934666_100011215382 [0,1,1,0,0,0|1,0,1]=4 433 B16R2.6 NCCCOCc1csc2c1cccc2 34a_100000182051_200000742921 [0,1,1,0,0,0|1,1,0]=4 434 B16R2.6 NCCCOCc1noc2c1cccc2 34a_100000182051_100009813815 [0,1,1,0,0,0|2,0,0]=4 435 B16R2.6 O=CCNCCc1coc2c1cccc2 2230a_100011934666_200015260668 [0,1,1,0,0,0|1,0,1]=4 436 B16R2.6 O=CCNCCc1coc2c1cccc2 34a_100011934666_200009817547 [0,1,1,0,0,0|1,0,1]=4 437 B16R2.6 OCCCCSc1coc2c1cccc2 62a_100000210776_100009812202 [0,1,1,0,0,0|2,0,0]=4 438 B16R2.6 OCCCNCc1c[nH]c2c1ccnc2 270004a_100000182051_100000087688 [0,1,1,0,0,0|2,0,0]=4 439 B16R2.6 OCCCNCc1cnc2n1cccc2 207a_100000182051_100000052358 [0,1,1,0,0,0|2,0,0]=4 440 B16R2.6 OCCCNCc1cnc2n1cccc2 2230a_100015187830_100000230001 [0,1,1,0,0,0|2,0,0]=4 441 B16R2.6 OCCCNCc1cnc2n1cccc2 270004a_100000182051_100000052358 [0,1,1,0,0,0|2,0,0]=4 442 B16R2.6 OCCCNCc1cnn2c1cccc2 207a_100000182051_100011787723 [0,1,1,0,0,0|2,0,0]=4 443 B16R2.6 OCCCNCc1cnn2c1cccc2 270004a_100000182051_100011787723 [0,1,1,0,0,0|2,0,0]=4 444 B16R2.6 OCCCNCc1coc2c1cccc2 207a_100000182051_100000688544 [0,1,1,0,0,0|0,0,0]=2 445 B16R2.6 OCCCNCc1coc2c1cccc2 270004a_100000182051_100000688544 [0,1,1,0,0,0|0,0,0]=2 446 B16R2.6 OCCCNCc1csc2c1cccc2 207a_100000182051_100000239721 [0,1,1,0,0,0|0,1,0]=3 447 B16R2.6 OCCCNCc1csc2c1cccc2 270004a_100000182051_100000239721 [0,1,1,0,0,0|0,1,0]=3 448 B16R2.6 OCCCNCc1csc2c1cccc2 34a_100000744611_100000230001 [0,1,1,0,0,0|0,1,0]=3 449 B16R2.6 OCCCNCc1n[nH]c2c1cccc2 207a_100000182051_100000059708 [0,1,1,0,0,0|2,0,0]=4 450 B16R2.6 OCCCNCc1n[nH]c2c1cccc2 270004a_100000182051_100000059708 [0,1,1,0,0,0|2,0,0]=4 451 B16R2.6 OCCCOCc1csc2c1cccc2 34a_100011219454_100000230001 [0,1,1,0,0,0|1,1,0]=4 452 B16R2.6 OCCCSCc1csc2c1cccc2 62a_100011215043_200000742921 [0,1,1,0,0,0|1,1,0]=4 453 B16R2.6 OCCCSCc1csc2c1cccc2 62a_200000742921_100011215043 [0,1,1,0,0,0|1,1,0]=4 454 B16R2.6 OCCCSCc1noc2c1cccc2 62a_100009813815_100011215043 [0,1,1,0,0,0|2,0,0]=4 455 B16R2.6 OCCCSCc1noc2c1cccc2 62a_100011215043_100009813815 [0,1,1,0,0,0|2,0,0]=4 456 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000211926 [0,1,1,0,0,0|2,0,0]=4 457 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 2230a_100016997473_100011218569 [0,1,1,0,0,0|2,0,0]=4 458 B16R2.6 OCCNCCc1c[nH]c2c1cccc2 34a_100016990907_100011218569 [0,1,1,0,0,0|2,0,0]=4 459 B16R2.6 OCCNCCc1coc2c1cccc2 2230a_100011934666_100000211926 [0,1,1,0,0,0|1,0,0]=3 460 B16R2.6 OCCNCCc1coc2c1cccc2 34a_100011934666_100000211926 [0,1,1,0,0,0|1,0,0]=3 461 B16R2.6 OCCNN=Cc1coc2c1cccc2 4a_100000210001_100000688544 [0,1,1,0,0,0|1,0,1]=4 462 B16R2.14 C#CC(C)NCc1coc2c1cccc2 270004a_100000707721_100000688544 [0,1,1,0,0,0|0,0,2]=4 463 B16R2.14 CC(CO)NCc1csc2c1cccc2 34a_100000744611_100012180447 [0,1,1,0,0,0|1,1,0]=4 464 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210414 [0,1,1,0,0,0|1,0,1]=4 465 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210414 [0,1,1,0,0,0|1,0,1]=4 466 B16R2.14 CCC(=O)NCc1csc2c1cccc2 11a_100000744611_100000210414 [0,1,1,0,0,0|0,1,1]=4 467 B16R2.14 CCC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000210414 [0,1,1,0,0,0|0,1,1]=4 468 B16R2.14 CCC(=O)NCc1csc2c1cccc2 240690a_100000744611_100000210414 [0,1,1,0,0,0|0,1,1]=4 469 B16R2.14 CCC(=O)NCc1csc2c1cccc2 527a_100000744611_100000210414 [0,1,1,0,0,0|0,1,1]=4 470 B16R2.14 CCC(C)CSc1coc2c1cccc2 62a_100000748023_100009812202 [0,1,1,0,0,0|2,0,0]=4 471 B16R2.14 CCC(C)NCc1c[nH]c2c1ccnc2 270004a_100000209981_100000087688 [0,1,1,0,0,0|2,0,0]=4 472 B16R2.14 CCC(C)NCc1cnc2n1cccc2 207a_100000209981_100000052358 [0,1,1,0,0,0|2,0,0]=4 473 B16R2.14 CCC(C)NCc1cnc2n1cccc2 2230a_100015187830_100000758301 [0,1,1,0,0,0|2,0,0]=4 474 B16R2.14 CCC(C)NCc1cnc2n1cccc2 270004a_100000209981_100000052358 [0,1,1,0,0,0|2,0,0]=4 475 B16R2.14 CCC(C)NCc1cnn2c1cccc2 207a_100000209981_100011787723 [0,1,1,0,0,0|2,0,0]=4 476 B16R2.14 CCC(C)NCc1cnn2c1cccc2 270004a_100000209981_100011787723 [0,1,1,0,0,0|2,0,0]=4 477 B16R2.14 CCC(C)NCc1coc2c1cccc2 207a_100000209981_100000688544 [0,1,1,0,0,0|0,0,0]=2 478 B16R2.14 CCC(C)NCc1coc2c1cccc2 270004a_100000209981_100000688544 [0,1,1,0,0,0|0,0,0]=2 479 B16R2.14 CCC(C)NCc1csc2c1cccc2 207a_100000209981_100000239721 [0,1,1,0,0,0|0,1,0]=3 480 B16R2.14 CCC(C)NCc1csc2c1cccc2 2230a_100000209981_200000742921 [0,1,1,0,0,0|0,1,0]=3 481 B16R2.14 CCC(C)NCc1csc2c1cccc2 270004a_100000209981_100000239721 [0,1,1,0,0,0|0,1,0]=3 482 B16R2.14 CCC(C)NCc1csc2c1cccc2 34a_100000744611_100011215416 [0,1,1,0,0,0|0,1,0]=3 483 B16R2.14 CCC(C)NCc1n[nH]c2c1cccc2 207a_100000209981_100000059708 [0,1,1,0,0,0|2,0,0]=4 484 B16R2.14 CCC(C)NCc1n[nH]c2c1cccc2 270004a_100000209981_100000059708 [0,1,1,0,0,0|2,0,0]=4 485 B16R2.14 CCC(C)NN=C1COc2c1cccc2 4a_100000718999_100000185568 [0,1,1,0,0,0|1,0,1]=4 486 B16R2.14 CCC(C)OCc1csc2c1cccc2 34a_100011219454_100011215416 [0,1,1,0,0,0|1,1,0]=4 487 B16R2.14 CCC(C)OCc1noc2c1cccc2 7a_100000210228_100009813815 [0,1,1,0,0,0|2,0,0]=4 488 B16R2.14 CCC(C)SCc1csc2c1cccc2 62a_100000758301_200000742921 [0,1,1,0,0,0|1,1,0]=4 489 B16R2.14 CCC(C)SCc1csc2c1cccc2 62a_200000742921_100000758301 [0,1,1,0,0,0|1,1,0]=4 490 B16R2.14 CCC(C)SCc1noc2c1cccc2 62a_100000758301_100009813815 [0,1,1,0,0,0|2,0,0]=4 491 B16R2.14 CCC(C)SCc1noc2c1cccc2 62a_100009813815_100000758301 [0,1,1,0,0,0|2,0,0]=4 492 B16R2.14 CCC(O)CSc1coc2c1cccc2 62a_100011218378_100009812202 [0,1,1,0,0,0|2,0,0]=4 493 B16R2.14 CC[C@H](C)CSc1coc2c1cccc2 62a_100009816398_100009812202 [0,1,1,0,0,0|2,0,0]=4 494 B16R2.14 C[C@H](CF)NCc1coc2c1cccc2 207a_100102880703_100000688544 [0,1,1,0,0,0|1,0,0]=3 495 B16R2.14 C[C@H](CF)NCc1coc2c1cccc2 270004a_100102880703_100000688544 [0,1,1,0,0,0|1,0,0]=3 496 B16R2.14 C[C@H](CF)NCc1csc2c1cccc2 207a_100102880703_100000239721 [0,1,1,0,0,0|1,1,0]=4 497 B16R2.14 C[C@H](CF)NCc1csc2c1cccc2 270004a_100102880703_100000239721 [0,1,1,0,0,0|1,1,0]=4 498 B16R2.14 C[C@H](CO)NCc1coc2c1cccc2 207a_100000737577_100000688544 [0,1,1,0,0,0|1,0,0]=3 499 B16R2.14 C[C@H](CO)NCc1coc2c1cccc2 270004a_100000737577_100000688544 [0,1,1,0,0,0|1,0,0]=3 500 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 207a_100000737577_100000239721 [0,1,1,0,0,0|1,1,0]=4 501 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 2230a_100000737577_200000742921 [0,1,1,0,0,0|1,1,0]=4 502 B16R2.14 C[C@H](CO)NCc1csc2c1cccc2 270004a_100000737577_100000239721 [0,1,1,0,0,0|1,1,0]=4 503 B16R2.36 C=C(C)CNCc1csc2c1cccc2 34a_100000744611_100000748629 [0,1,1,0,0,0|0,1,1]=4 504 B16R2.36 CC(Br)COCc1csc2c1cccc2 34a_100012180447_200000742921 [0,1,1,0,0,0|1,1,0]=4 505 B16R2.36 CC(Br)COCc1noc2c1cccc2 34a_100012180447_100009813815 [0,1,1,0,0,0|2,0,0]=4 506 B16R2.36 CC(C)CC=Cc1coc2c1cccc2 271570a_100016259101_100009812202 [0,1,1,0,0,0|1,0,1]=4 507 B16R2.36 CC(C)CCSc1coc2c1cccc2 62a_100000210312_100009812202 [0,1,1,0,0,0|2,0,0]=4 508 B16R2.36 CC(C)CNCc1[nH]nc2c1cccc2 270004a_100011642502_100000210432 [0,1,1,0,0,0|2,0,0]=4 509 B16R2.36 CC(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100000210432 [0,1,1,0,0,0|1,0,0]=3 510 B16R2.36 CC(C)CNCc1c[nH]c2c1ccnc2 270004a_100000210953_100000087688 [0,1,1,0,0,0|2,0,0]=4 511 B16R2.36 CC(C)CNCc1cnc2n1cccc2 207a_100000210953_100000052358 [0,1,1,0,0,0|2,0,0]=4 512 B16R2.36 CC(C)CNCc1cnc2n1cccc2 2230a_100015187830_100000210760 [0,1,1,0,0,0|2,0,0]=4 513 B16R2.36 CC(C)CNCc1cnc2n1cccc2 270004a_100000210953_100000052358 [0,1,1,0,0,0|2,0,0]=4 514 B16R2.36 CC(C)CNCc1cnc2n1cccc2 270004a_100015187830_100000210432 [0,1,1,0,0,0|2,0,0]=4 515 B16R2.36 CC(C)CNCc1cnn2c1cccc2 207a_100000210953_100011787723 [0,1,1,0,0,0|2,0,0]=4 516 B16R2.36 CC(C)CNCc1cnn2c1cccc2 270004a_100000210953_100011787723 [0,1,1,0,0,0|2,0,0]=4 517 B16R2.36 CC(C)CNCc1coc2c1cccc2 207a_100000210953_100000688544 [0,1,1,0,0,0|0,0,0]=2 518 B16R2.36 CC(C)CNCc1coc2c1cccc2 270004a_100000210953_100000688544 [0,1,1,0,0,0|0,0,0]=2 519 B16R2.36 CC(C)CNCc1csc2c1cccc2 207a_100000210953_100000239721 [0,1,1,0,0,0|0,1,0]=3 520 B16R2.36 CC(C)CNCc1csc2c1cccc2 2230a_100000210953_200000742921 [0,1,1,0,0,0|0,1,0]=3 521 B16R2.36 CC(C)CNCc1csc2c1cccc2 270004a_100000210953_100000239721 [0,1,1,0,0,0|0,1,0]=3 522 B16R2.36 CC(C)CNCc1csc2c1cccc2 270004a_100000744611_100000210432 [0,1,1,0,0,0|0,1,0]=3 523 B16R2.36 CC(C)CNCc1csc2c1cccc2 34a_100000210953_200000742921 [0,1,1,0,0,0|0,1,0]=3 524 B16R2.36 CC(C)CNCc1csc2c1cccc2 34a_100000744611_100000210624 [0,1,1,0,0,0|0,1,0]=3 525 B16R2.36 CC(C)CNCc1n[nH]c2c1cccc2 207a_100000210953_100000059708 [0,1,1,0,0,0|2,0,0]=4 526 B16R2.36 CC(C)CNCc1n[nH]c2c1cccc2 270004a_100000210953_100000059708 [0,1,1,0,0,0|2,0,0]=4 527 B16R2.36 CC(C)CNCc1noc2c1cccc2 34a_100000210953_100009813815 [0,1,1,0,0,0|1,0,0]=3 528 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100000210257_200000742921 [0,1,1,0,0,0|1,1,0]=4 529 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100011219454_100000210624 [0,1,1,0,0,0|1,1,0]=4 530 B16R2.36 CC(C)COCc1noc2c1cccc2 34a_100000210257_100009813815 [0,1,1,0,0,0|2,0,0]=4 531 B16R2.36 CC(C)CSCc1csc2c1cccc2 62a_100000210624_200000742921 [0,1,1,0,0,0|1,1,0]=4 532 B16R2.36 CC(C)CSCc1csc2c1cccc2 62a_200000742921_100000210760 [0,1,1,0,0,0|1,1,0]=4 533 B16R2.36 CC(C)CSCc1noc2c1cccc2 62a_100000210624_100009813815 [0,1,1,0,0,0|2,0,0]=4 534 B16R2.36 CC(C)CSCc1noc2c1cccc2 62a_100009813815_100000210760 [0,1,1,0,0,0|2,0,0]=4 535 B16R2.36 CC(C)NCCc1coc2c1cccc2 2230a_100011934666_100000210206 [0,1,1,0,0,0|2,0,0]=4 536 B16R2.36 CC(C)NCCc1coc2c1cccc2 34a_100011934666_100000210206 [0,1,1,0,0,0|2,0,0]=4 537 B16R2.36 CC(F)COCc1csc2c1cccc2 34a_100015925927_200000742921 [0,1,1,0,0,0|1,1,0]=4 538 B16R2.36 CC(F)COCc1noc2c1cccc2 34a_100015925927_100009813815 [0,1,1,0,0,0|2,0,0]=4 539 B16R2.36 CC(O)CCSc1coc2c1cccc2 62a_100012276601_100009812202 [0,1,1,0,0,0|2,0,0]=4 540 B16R2.36 CC(O)CNCc1c[nH]c2c1ccnc2 270004a_100000210904_100000087688 [0,1,1,0,0,0|2,0,0]=4 541 B16R2.36 CC(O)CNCc1cnc2n1cccc2 207a_100000210904_100000052358 [0,1,1,0,0,0|2,0,0]=4 542 B16R2.36 CC(O)CNCc1cnc2n1cccc2 2230a_100015187830_100011218427 [0,1,1,0,0,0|2,0,0]=4 543 B16R2.36 CC(O)CNCc1cnc2n1cccc2 270004a_100000210904_100000052358 [0,1,1,0,0,0|2,0,0]=4 544 B16R2.36 CC(O)CNCc1cnn2c1cccc2 207a_100000210904_100011787723 [0,1,1,0,0,0|2,0,0]=4 545 B16R2.36 CC(O)CNCc1cnn2c1cccc2 270004a_100000210904_100011787723 [0,1,1,0,0,0|2,0,0]=4 546 B16R2.36 CC(O)CNCc1coc2c1cccc2 207a_100000210904_100000688544 [0,1,1,0,0,0|0,0,0]=2 547 B16R2.36 CC(O)CNCc1coc2c1cccc2 270004a_100000210904_100000688544 [0,1,1,0,0,0|0,0,0]=2 548 B16R2.36 CC(O)CNCc1csc2c1cccc2 207a_100000210904_100000239721 [0,1,1,0,0,0|0,1,0]=3 549 B16R2.36 CC(O)CNCc1csc2c1cccc2 2230a_100000210904_200000742921 [0,1,1,0,0,0|0,1,0]=3 550 B16R2.36 CC(O)CNCc1csc2c1cccc2 270004a_100000210904_100000239721 [0,1,1,0,0,0|0,1,0]=3 551 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000210904_200000742921 [0,1,1,0,0,0|0,1,0]=3 552 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000744611_100011218427 [0,1,1,0,0,0|0,1,0]=3 553 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 207a_100000210904_100000059708 [0,1,1,0,0,0|2,0,0]=4 554 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 270004a_100000210904_100000059708 [0,1,1,0,0,0|2,0,0]=4 555 B16R2.36 CC(O)CNCc1noc2c1cccc2 34a_100000210904_100009813815 [0,1,1,0,0,0|1,0,0]=3 556 B16R2.36 CC(O)CNN=C1COc2c1cccc2 4a_200000730056_100000185568 [0,1,1,0,0,0|1,0,1]=4 557 B16R2.36 CC(O)COCc1csc2c1cccc2 34a_100011219454_100011218427 [0,1,1,0,0,0|1,1,0]=4 558 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_100011218427_200000742921 [0,1,1,0,0,0|1,1,0]=4 559 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_200000742921_100011218427 [0,1,1,0,0,0|1,1,0]=4 560 B16R2.36 CC(O)CSCc1noc2c1cccc2 62a_100009813815_100011218427 [0,1,1,0,0,0|2,0,0]=4 561 B16R2.36 CC(O)CSCc1noc2c1cccc2 62a_100011218427_100009813815 [0,1,1,0,0,0|2,0,0]=4 562 B16R2.36 C[C@@H](Cl)COCc1csc2c1cccc2 34a_100016084084_200000742921 [0,1,1,0,0,0|1,1,0]=4 563 B16R2.36 C[C@@H](Cl)COCc1noc2c1cccc2 34a_100016084084_100009813815 [0,1,1,0,0,0|2,0,0]=4 564 B16R2.36 C[C@@H](N)COCc1csc2c1cccc2 34a_100000737577_200000742921 [0,1,1,0,0,0|1,1,0]=4 565 B16R2.36 C[C@@H](N)COCc1noc2c1cccc2 34a_100000737577_100009813815 [0,1,1,0,0,0|2,0,0]=4 566 B16R2.36 C[C@@H](O)CNCc1cnc2n1cccc2 2230a_100015187830_100009817552 [0,1,1,0,0,0|2,0,0]=4 567 B16R2.36 C[C@@H](O)CNCc1csc2c1cccc2 34a_100000744611_100009817552 [0,1,1,0,0,0|0,1,0]=3 568 B16R2.36 C[C@@H](O)COCc1csc2c1cccc2 34a_100011219454_100009817552 [0,1,1,0,0,0|1,1,0]=4 569 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_100009817552_200000742921 [0,1,1,0,0,0|1,1,0]=4 570 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_200000742921_100009817552 [0,1,1,0,0,0|1,1,0]=4 571 B16R2.36 C[C@@H](O)CSCc1noc2c1cccc2 62a_100009813815_100009817552 [0,1,1,0,0,0|2,0,0]=4 572 B16R2.36 C[C@@H](O)CSCc1noc2c1cccc2 62a_100009817552_100009813815 [0,1,1,0,0,0|2,0,0]=4 573 B16R2.36 FC(F)CNCc1coc2c1cccc2 207a_100000765723_100000688544 [0,1,1,0,0,0|1,0,0]=3 574 B16R2.36 FC(F)CNCc1coc2c1cccc2 270004a_100000765723_100000688544 [0,1,1,0,0,0|1,0,0]=3 575 B16R2.36 FC(F)CNCc1csc2c1cccc2 207a_100000765723_100000239721 [0,1,1,0,0,0|1,1,0]=4 576 B16R2.36 FC(F)CNCc1csc2c1cccc2 270004a_100000765723_100000239721 [0,1,1,0,0,0|1,1,0]=4 577 B16R2.36 FC(F)CNCc1csc2c1cccc2 34a_100000744611_100011934356 [0,1,1,0,0,0|1,1,0]=4 578 B16R2.36 FC(F)CNCc1csc2c1cccc2 34a_100000765723_200000742921 [0,1,1,0,0,0|1,1,0]=4 579 B16R2.36 FC(F)CNCc1noc2c1cccc2 34a_100000765723_100009813815 [0,1,1,0,0,0|2,0,0]=4 580 B16R2.37 CC(NCCF)c1coc2c1cccc2 269862a_100000724931_100000751042 [0,1,1,0,0,0|1,0,0]=3 581 B16R2.37 CC(NCCF)c1csc2c1cccc2 269862a_100000724931_100000689785 [0,1,1,0,0,0|1,1,0]=4 582 B16R2.37 CC(NCCO)c1coc2c1cccc2 269862a_100000210304_100000751042 [0,1,1,0,0,0|1,0,0]=3 583 B16R2.37 CC(NCCO)c1csc2c1cccc2 269862a_100000210304_100000689785 [0,1,1,0,0,0|1,1,0]=4 584 B16R2.37 CCCNC(=O)C1=CCc2c1cccc2 11a_100020643023_100000037392 [0,1,1,0,0,0|1,0,1]=4 585 B16R2.37 CCCNC(=O)C1=CCc2c1cccc2 1626a_100020643023_100000037392 [0,1,1,0,0,0|1,0,1]=4 586 B16R2.37 CCCNC(=O)C1=CCc2c1cccc2 240690a_100020643023_100000037392 [0,1,1,0,0,0|1,0,1]=4 587 B16R2.37 CCCNC(C)c1coc2c1cccc2 269862a_100020643023_100000751042 [0,1,1,0,0,0|0,0,0]=2 588 B16R2.37 CCCNC(C)c1csc2c1cccc2 269862a_100020643023_100000689785 [0,1,1,0,0,0|0,1,0]=3 589 B16R2.37 CCCNC(C)c1n[nH]c2c1cccc2 269862a_100020643023_100000087549 [0,1,1,0,0,0|2,0,0]=4 590 B16R2.149 CCCNCc1c[nH]c2c1cccc2Br 270004a_100020643023_100009814786 [0,1,1,0,0,0|1,0,0]=3 591 B16R2.149 CCCNCc1c[nH]c2c1cccc2C 270004a_100020643023_100000040139 [0,1,1,0,0,0|1,0,0]=3 592 B16R2.149 CCCNCc1c[nH]c2c1cccc2Cl 270004a_100020643023_100011361501 [0,1,1,0,0,0|1,0,0]=3 593 B16R2.149 CCCNCc1cnc2n1cccc2Br 207a_100020643023_100010272206 [0,1,1,0,0,0|2,0,0]=4 594 B16R2.149 CCCNCc1cnc2n1cccc2Br 270004a_100020643023_100010272206 [0,1,1,0,0,0|2,0,0]=4 595 B16R2.149 CCCNCc1n[nH]c2c1cccc2Br 207a_100020643023_100009814788 [0,1,1,0,0,0|2,0,0]=4 596 B16R2.149 CCCNCc1n[nH]c2c1cccc2Br 270004a_100020643023_100009814788 [0,1,1,0,0,0|2,0,0]=4 597 B16R2.149 CCCNCc1n[nH]c2c1cccc2C 207a_100020643023_100000050344 [0,1,1,0,0,0|2,0,0]=4 598 B16R2.149 CCCNCc1n[nH]c2c1cccc2C 270004a_100020643023_100000050344 [0,1,1,0,0,0|2,0,0]=4 599 B16R2.149 CCCNN=C1COc2c1cccc2Br 4a_100000740057_100011230590 [0,1,1,0,0,0|1,0,1]=4 600 B16R2.149 Cc1cccc2c1[nH]cc2CNCCO 270004a_100000210304_100000040139 [0,1,1,0,0,0|2,0,0]=4 601 B16R2.149 OCCNCc1c[nH]c2c1cccc2Br 270004a_100000210304_100009814786 [0,1,1,0,0,0|2,0,0]=4 602 B16R2.149 OCCNCc1c[nH]c2c1cccc2Cl 270004a_100000210304_100011361501 [0,1,1,0,0,0|2,0,0]=4 603 B16R2.6329 CCCNCc1cn(c2c1cccc2)C 34a_100011997738_100000210303 [0,1,1,0,0,0|1,0,0]=3 604 B16R2.6329 CCCNCc1nn(c2c1cccc2)C 207a_100020643023_100011361492 [0,1,1,0,0,0|2,0,0]=4 605 B16R2.6329 CCCNCc1nn(c2c1cccc2)C 270004a_100020643023_100011361492 [0,1,1,0,0,0|2,0,0]=4 606 B16R2.6329 CCCNCc1nn(c2c1cccc2)C 34a_200011934655_100000210303 [0,1,1,0,0,0|2,0,0]=4 607 B16R2.6329 CSCNCc1cn(c2c1cccc2)C 34a_100011997738_100011218213 [0,1,1,0,0,0|2,0,0]=4 608 B16R2.6329 Cn1cc(c2c1cccc2)CNCCF 34a_100011997738_100011217306 [0,1,1,0,0,0|2,0,0]=4 609 B16R2.6329 Cn1cc(c2c1cccc2)CNCCO 34a_100011997738_100000211926 [0,1,1,0,0,0|2,0,0]=4 610 B16R2.6335 CCCC=Cc1c(oc2c1cccc2)C 271570a_100016258520_200010236113 [0,1,1,0,0,0|1,0,1]=4 611 B16R2.6335 CCCCSc1c(oc2c1cccc2)C 62a_100000210211_200010236113 [0,1,1,0,0,0|2,0,0]=4 612 B16R2.6335 CCCNCc1c(nc2n1cccc2)C 207a_100020643023_100000182234 [0,1,1,0,0,0|2,0,0]=4 613 B16R2.6335 CCCNCc1c(sc2c1cccc2)C 207a_100020643023_100000066825 [0,1,1,0,0,0|0,1,0]=3 614 B16R2.6335 CCCNCc1c(sc2c1cccc2)C 270004a_100020643023_100000066825 [0,1,1,0,0,0|0,1,0]=3 615 B16R2.6335 CCCNCc1c2ccccc2nn1C 207a_100020643023_100000066482 [0,1,1,0,0,0|2,0,0]=4 616 B16R2.6335 CCCNCc1c2ccccc2nn1C 270004a_100020643023_100000066482 [0,1,1,0,0,0|2,0,0]=4 617 B16R2.6335 CCCNN=C1C(=O)Nc2c1cccc2 4a_100000740057_100000185742 [0,1,1,0,0,0|2,0,0]=4 618 B16R2.6335 CCCNN=C1C(=O)Sc2c1cccc2 4a_100000740057_100011996146 [0,1,1,0,0,0|1,1,0]=4 619 B16R2.6335 Cc1sc2ccccc2c1CNCCO 207a_100000210304_100000066825 [0,1,1,0,0,0|1,1,0]=4 620 B16R2.6335 Cc1sc2ccccc2c1CNCCO 270004a_100000210304_100000066825 [0,1,1,0,0,0|1,1,0]=4 621 B16R2.27887 CCCNCc1c[nH]c2c1ncc(c2)Br 270004a_100020643023_100010168556 [0,1,1,0,0,0|2,0,0]=4 622 B16R2.27887 CCCNCc1cnc2n1ccc(c2)Br 207a_100020643023_100010220036 [0,1,1,0,0,0|2,0,0]=4 623 B16R2.27887 CCCNCc1cnc2n1ccc(c2)Br 270004a_100020643023_100010220036 [0,1,1,0,0,0|2,0,0]=4 624 B16R2.27887 CCCNCc1cnc2n1ccc(c2)C 207a_100020643023_100000097740 [0,1,1,0,0,0|2,0,0]=4 625 B16R2.27887 CCCNCc1cnc2n1ccc(c2)C 270004a_100020643023_100000097740 [0,1,1,0,0,0|2,0,0]=4 626 B16R2.27887 CCCNCc1cnc2n1ccc(c2)Cl 270004a_100020643023_100000097743 [0,1,1,0,0,0|2,0,0]=4 627 B16R2.27887 CCCNCc1cnc2n1ccc(c2)F 207a_100020643023_100010721590 [0,1,1,0,0,0|2,0,0]=4 628 B16R2.27887 CCCNCc1cnc2n1ccc(c2)F 270004a_100020643023_100010721590 [0,1,1,0,0,0|2,0,0]=4 629 B16R2.27887 CCCNCc1n[nH]c2c1ccc(c2)Br 207a_100020643023_100009817233 [0,1,1,0,0,0|2,0,0]=4 630 B16R2.27887 CCCNCc1n[nH]c2c1ccc(c2)Br 270004a_100020643023_100009817233 [0,1,1,0,0,0|2,0,0]=4 631 B16R2.27887 CCCNCc1n[nH]c2c1ccc(c2)Cl 207a_100020643023_100000086628 [0,1,1,0,0,0|2,0,0]=4 632 B16R2.27887 CCCNCc1n[nH]c2c1ccc(c2)Cl 270004a_100020643023_100000086628 [0,1,1,0,0,0|2,0,0]=4 633 B16R2.27887 CCCNCc1n[nH]c2c1ccc(c2)F 207a_100020643023_100000086633 [0,1,1,0,0,0|2,0,0]=4 634 B16R2.27887 CCCNCc1n[nH]c2c1ccc(c2)F 270004a_100020643023_100000086633 [0,1,1,0,0,0|2,0,0]=4 635 B16R2.27887 CCCNN=C1C=Cc2c1ccc(c2)Br 4a_100000740057_100010210589 [0,1,1,0,0,0|2,0,0]=4 636 B16R2.27887 CCCNN=C1COc2c1ccc(c2)Br 4a_100000740057_100000686717 [0,1,1,0,0,0|1,0,1]=4 637 B16R2.27887 CCCNN=C1COc2c1ccc(c2)Cl 4a_100000740057_100000720454 [0,1,1,0,0,0|1,0,1]=4 638 B16R2.27887 CCCNN=C1COc2c1ccc(c2)F 4a_100000740057_100000720453 [0,1,1,0,0,0|1,0,1]=4 639 B16R2.27887 CCCNN=C1COc2c1ccc(c2)O 4a_100000740057_100000216533 [0,1,1,0,0,0|1,0,1]=4 640 B16R2.205493 CCCNCc1cnc2n1cc(cc2)Br 207a_100020643023_100000757799 [0,1,1,0,0,0|2,0,0]=4 641 B16R2.205493 CCCNCc1cnc2n1cc(cc2)Br 270004a_100020643023_100000757799 [0,1,1,0,0,0|2,0,0]=4 642 B16R2.205493 CCCNCc1cnc2n1cc(cc2)C 207a_100020643023_100000097737 [0,1,1,0,0,0|2,0,0]=4 643 B16R2.205493 CCCNCc1cnc2n1cc(cc2)C 270004a_100020643023_100000097737 [0,1,1,0,0,0|2,0,0]=4 644 B16R2.205493 CCCNCc1cnc2n1cc(cc2)Cl 207a_100020643023_100000095899 [0,1,1,0,0,0|2,0,0]=4 645 B16R2.205493 CCCNCc1cnc2n1cc(cc2)Cl 270004a_100020643023_100000095899 [0,1,1,0,0,0|2,0,0]=4 646 B16R2.205493 CCCNCc1csc2c1cc(cc2)Br 207a_100020643023_100009814807 [0,1,1,0,0,0|0,1,0]=3 647 B16R2.205493 CCCNCc1csc2c1cc(cc2)Br 270004a_100020643023_100009814807 [0,1,1,0,0,0|0,1,0]=3 648 B16R2.205493 CCCNCc1csc2c1cc(cc2)Cl 207a_100020643023_100000040578 [0,1,1,0,0,0|0,1,0]=3 649 B16R2.205493 CCCNCc1csc2c1cc(cc2)Cl 270004a_100020643023_100000040578 [0,1,1,0,0,0|0,1,0]=3 650 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)Br 207a_100020643023_100009888965 [0,1,1,0,0,0|2,0,0]=4 651 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)Br 270004a_100020643023_100009888965 [0,1,1,0,0,0|2,0,0]=4 652 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)C 207a_100020643023_100000050950 [0,1,1,0,0,0|2,0,0]=4 653 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)C 270004a_100020643023_100000050950 [0,1,1,0,0,0|2,0,0]=4 654 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)Cl 207a_100020643023_100000086617 [0,1,1,0,0,0|2,0,0]=4 655 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)Cl 270004a_100020643023_100000086617 [0,1,1,0,0,0|2,0,0]=4 656 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)F 207a_100020643023_100000084349 [0,1,1,0,0,0|2,0,0]=4 657 B16R2.205493 CCCNCc1n[nH]c2c1cc(cc2)F 270004a_100020643023_100000084349 [0,1,1,0,0,0|2,0,0]=4 658 B16R2.205493 CCCNN=C1COc2c1cc(cc2)Br 4a_100000740057_100000752586 [0,1,1,0,0,0|1,0,1]=4 659 B16R2.205493 CCCNN=C1COc2c1cc(cc2)Cl 4a_100000740057_100000751784 [0,1,1,0,0,0|1,0,1]=4 660 B16R2.205493 CCCNN=C1COc2c1cc(cc2)F 4a_100000740057_100000743525 [0,1,1,0,0,0|1,0,1]=4 661 B16R2.205493 CCCOCc1csc2c1cc(cc2)Cl 34a_100000210258_100009814428 [0,1,1,0,0,0|1,1,0]=4 662 B16R2.205493 CCCOCc1csc2c1cc(cc2)Cl 34a_200000043707_100000210303 [0,1,1,0,0,0|1,1,0]=4 663 B16R2.205493 CCCOCc1csc2c1cc(cc2)Cl 7a_200000043707_100000210303 [0,1,1,0,0,0|1,1,0]=4 664 B16R2.205493 CCCOCc1csc2c1cc(cc2)F 34a_100000210258_100010109839 [0,1,1,0,0,0|1,1,0]=4 665 B16R2.205493 CCCSCc1csc2c1cc(cc2)Cl 62a_100000210303_100009814428 [0,1,1,0,0,0|1,1,0]=4 666 B16R2.205493 CCCSCc1csc2c1cc(cc2)Cl 62a_100009814428_100000210303 [0,1,1,0,0,0|1,1,0]=4 667 B16R2.205493 CCCSCc1csc2c1cc(cc2)F 62a_100000210303_100010109839 [0,1,1,0,0,0|1,1,0]=4 668 B16R2.205493 CCCSCc1csc2c1cc(cc2)F 62a_100010109839_100000210303 [0,1,1,0,0,0|1,1,0]=4 669 B16R2.205493 FCCNCc1csc2c1cc(cc2)Cl 34a_100000724931_100009814428 [0,1,1,0,0,0|1,1,0]=4 670 B16R2.205493 FCCNCc1csc2c1cc(cc2)F 34a_100000724931_100010109839 [0,1,1,0,0,0|1,1,0]=4 671 B16R2.205493 OCCNCc1csc2c1cc(cc2)Br 207a_100000210304_100009814807 [0,1,1,0,0,0|1,1,0]=4 672 B16R2.205493 OCCNCc1csc2c1cc(cc2)Br 270004a_100000210304_100009814807 [0,1,1,0,0,0|1,1,0]=4 673 B16R2.205493 OCCNCc1csc2c1cc(cc2)Cl 207a_100000210304_100000040578 [0,1,1,0,0,0|1,1,0]=4 674 B16R2.205493 OCCNCc1csc2c1cc(cc2)Cl 2230a_100016997473_100009814428 [0,1,1,0,0,0|1,1,0]=4 675 B16R2.205493 OCCNCc1csc2c1cc(cc2)Cl 270004a_100000210304_100000040578 [0,1,1,0,0,0|1,1,0]=4 676 B16R2.205493 OCCNCc1csc2c1cc(cc2)Cl 34a_100016990907_100009814428 [0,1,1,0,0,0|1,1,0]=4 677 B16R2.205493 OCCNCc1csc2c1cc(cc2)F 2230a_100016997473_100010109839 [0,1,1,0,0,0|1,1,0]=4 678 B16R2.205493 OCCNCc1csc2c1cc(cc2)F 34a_100016990907_100010109839 [0,1,1,0,0,0|1,1,0]=4 679 B16R2.205532 CCCNCc1cnc2n1c(ccc2)C 207a_100020643023_100000101704 [0,1,1,0,0,0|2,0,0]=4 680 B16R2.205532 CCCNCc1cnc2n1c(ccc2)C 270004a_100020643023_100000101704 [0,1,1,0,0,0|2,0,0]=4 681 B16R2.205532 CCCNCc1cnc2n1c(ccc2)Cl 270004a_100020643023_100000099958 [0,1,1,0,0,0|2,0,0]=4 682 B16R2.205532 CCCNN=C1COc2c1c(ccc2)Br 4a_100000740057_100010205902 [0,1,1,0,0,0|1,0,1]=4 683 B16R2.205532 CCCNN=C1COc2c1c(ccc2)F 4a_100000740057_100000106747 [0,1,1,0,0,0|1,0,1]=4 684 B16R2.205532 CCCNN=C1COc2c1c(ccc2)O 4a_100000740057_200009856558 [0,1,1,0,0,0|1,0,1]=4 685 B16R2.112 CCNCc1c(oc2c1cccc2)CC 207a_100015525214_100000206028 [0,1,1,0,0,0|0,0,0]=2 686 B16R2.112 CCNCc1c(oc2c1cccc2)CC 270004a_100015525214_100000206028 [0,1,1,0,0,0|0,0,0]=2 687 B16R2.112 CCNCc1c(sc2c1cccc2)CC 207a_100015525214_100010627023 [0,1,1,0,0,0|0,1,0]=3 688 B16R2.112 CCNCc1c(sc2c1cccc2)CC 270004a_100015525214_100010627023 [0,1,1,0,0,0|0,1,0]=3 689 B16R2.1625 CCc1oc2ccccc2c1CN(C)C 270004a_100102631434_100000206028 [0,1,1,0,0,0|0,0,0]=2 690 B16R2.1625 CCc1sc2ccccc2c1CN(C)C 270004a_100102631434_100010627023 [0,1,1,0,0,0|0,1,0]=3 691 B16R2.755 CCNC(C)c1cc2cc(ccc2o1)Br 269862a_100015525214_100000181247 [0,1,1,0,0,0|2,0,0]=4 692 B16R2.755 CCNC(C)c1cc2cc(ccc2o1)Cl 269862a_100015525214_100000181248 [0,1,1,0,0,0|2,0,0]=4 693 B16R2.755 CCOC(C)c1cc2cc(ccc2o1)Br 34a_100000246534_100000210202 [0,1,1,0,0,0|2,0,0]=4 694 B16R2.755 CCOC(C)c1cc2cc(ccc2o1)Br 7a_100000246534_100000210202 [0,1,1,0,0,0|2,0,0]=4 695 B16R2.755 CNCC(=O)c1cc2cc(ccc2o1)Br 34a_100102657272_100010170448 [0,1,1,0,0,0|1,0,1]=4 696 B16R2.757 CNCC(=O)c1oc2ccccc2c1C 2230a_106832991635_100000684729 [0,1,1,0,0,0|1,0,1]=4 697 B16R2.2128 C#CCOC(C)c1cc2ccccc2o1 34a_100000198572_100000184674 [0,1,1,0,0,0|1,0,1]=4 698 B16R2.2128 C#CCOC(C)c1cc2ccccc2o1 7a_100000198572_100000038162 [0,1,1,0,0,0|1,0,1]=4 699 B16R2.2128 C=CCOC(C)c1cc2ccccc2o1 34a_100000198572_100015514636 [0,1,1,0,0,0|1,0,1]=4 700 B16R2.2128 C=CCOC(C)c1cc2ccccc2o1 7a_100000198572_100015514636 [0,1,1,0,0,0|1,0,1]=4 701 B16R2.2128 CC(NCCF)c1cc2ccccc2o1 269862a_100000724931_100000185295 [0,1,1,0,0,0|2,0,0]=4 702 B16R2.2128 CC(NCCO)c1cc2ccccc2o1 269862a_100000210304_100000185295 [0,1,1,0,0,0|2,0,0]=4 703 B16R2.2128 CC(OCC#N)c1cc2ccccc2o1 7a_100000198572_100011215382 [0,1,1,0,0,0|2,0,0]=4 704 B16R2.2128 CC(OCC=O)c1cc2ccccc2o1 34a_100000198572_200009817547 [0,1,1,0,0,0|2,0,0]=4 705 B16R2.2128 CC(OCC=O)c1cc2ccccc2o1 7a_100000198572_200015260668 [0,1,1,0,0,0|2,0,0]=4 706 B16R2.2128 CC(OCCF)c1cc2ccccc2o1 34a_100000198572_100011217306 [0,1,1,0,0,0|2,0,0]=4 707 B16R2.2128 CC(OCCF)c1cc2ccccc2o1 7a_100000198572_100011217306 [0,1,1,0,0,0|2,0,0]=4 708 B16R2.2128 CC(OCCO)c1cc2ccccc2o1 34a_100000198572_100000211926 [0,1,1,0,0,0|2,0,0]=4 709 B16R2.2128 CC(OCCO)c1cc2ccccc2o1 7a_100000198572_100000211926 [0,1,1,0,0,0|2,0,0]=4 710 B16R2.2128 CCCNC(C)c1cc2ccccc2[nH]1 269862a_100020643023_100000696822 [0,1,1,0,0,0|2,0,0]=4 711 B16R2.2128 CCCNC(C)c1cc2ccccc2o1 269862a_100020643023_100000185295 [0,1,1,0,0,0|1,0,0]=3 712 B16R2.2128 CCCNC(C)c1cc2ccccc2s1 269862a_100020643023_100011216072 [0,1,1,0,0,0|1,1,0]=4 713 B16R2.2128 CCCOC(C)c1cc2ccccc2o1 34a_100000198572_100000210303 [0,1,1,0,0,0|1,0,0]=3 714 B16R2.2128 CCCOC(C)c1cc2ccccc2o1 7a_100000198572_100000210303 [0,1,1,0,0,0|1,0,0]=3 715 B16R2.2128 CCNN=C(C)c1cc2ccccc2o1 4a_100000756455_100000185295 [0,1,1,0,0,0|1,0,1]=4 716 B16R2.2128 CSCOC(C)c1cc2ccccc2o1 34a_100000198572_100011218213 [0,1,1,0,0,0|1,0,0]=3 717 B16R2.11592 CC(C)C[C@H](N)c1cc2ccccc2o1 271570a_100015190218_100010159458 [0,1,1,0,0,0|2,0,0]=4 718 B16R2.11592 CC(C)OC(C)c1cc2ccccc2o1 34a_100000198572_100000210206 [0,1,1,0,0,0|2,0,0]=4 719 B16R2.11592 CC(C)OC(C)c1cc2ccccc2o1 7a_100000198572_100000210206 [0,1,1,0,0,0|2,0,0]=4 720 B16R2.11592 CN(C)CC(=O)c1cc2ccccc2o1 269982a_100102631434_100000209828 [0,1,1,0,0,0|1,0,1]=4 721 B16R2.6152 CCc1c(oc2c1cccc2)C(C)NC 269862a_106832991636_100000008396 [0,1,1,0,0,0|2,0,0]=4 722 B16R3.2583 CN1CCc2[nH]c3ccccc3c2C1 2230a_100000239914_200000210301 [1,1,0,0,0,0|1,0,0]=3 723 B16R3.2583 CN1CCc2[nH]c3ccccc3c2C1 269982a_100000239914_200000210301 [1,1,0,0,0,0|1,0,0]=3 724 B16R3.2583 Oc1ccc2[nH]c3c(c2c1)CCCC3 271570a_203496583355_100000728263 [1,1,0,0,0,0|2,0,0]=4 725 B16R3.2583 Oc1ccc2[nH]c3c(c2c1)CNCC3 271570a_203496583355_100000737321 [1,1,0,0,0,0|1,0,0]=3 726 B16R3.2583 [13CH3]N1CCc2[nH]c3ccccc3c2C1 2230a_100000239914_200025704644 [1,1,0,0,0,0|1,0,0]=3 727 B16R3.2583 [13CH3]N1CCc2[nH]c3ccccc3c2C1 269982a_100000239914_200025704644 [1,1,0,0,0,0|1,0,0]=3 728 B16R3.2637 CN1CCc2c(oc3c2cccc3)C1 2230a_200016992036_200000210301 [1,1,0,0,0,0|2,0,0]=4 729 B16R3.2637 CN1CCc2c(oc3c2cccc3)C1 269982a_200016992036_200000210301 [1,1,0,0,0,0|2,0,0]=4 730 B16R3.2637 [13CH3]N1CCc2c(oc3c2cccc3)C1 2230a_200016992036_200025704644 [1,1,0,0,0,0|2,0,0]=4 731 B16R3.2637 [13CH3]N1CCc2c(oc3c2cccc3)C1 269982a_200016992036_200025704644 [1,1,0,0,0,0|2,0,0]=4 732 B18R3.5244 CCNC1CCCc2c1[nH]c3c2cccc3 269862a_100015525214_100000189453 [0,2,0,0,0,0|2,0,0]=4 733 B18R3.117422 CC(=O)C1CCCc2c1[nH]c3c2cccc3 1458a_200000068633_200000210301 [0,2,0,0,0,0|2,0,0]=4 734 B18R3.117422 [13CH3]C(=O)C1CCCc2c1[nH]c3c2cccc3 1458a_200000068633_200025704644 [0,2,0,0,0,0|2,0,0]=4 735 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)Br 269862a_106832991636_100000697556 [0,2,0,0,0,0|2,0,0]=4 736 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)C 269862a_106832991636_100000187250 [0,2,0,0,0,0|2,0,0]=4 737 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)Cl 269862a_106832991636_100000721903 [0,2,0,0,0,0|2,0,0]=4 738 B18R3.152976 CNC1CCCc2c1[nH]c3c2cc(cc3)F 269862a_106832991636_100000721809 [0,2,0,0,0,0|2,0,0]=4 739 B18R3.152977 CNC1CCCc2c1[nH]c3c2cccc3Br 269862a_106832991636_100011236529 [0,2,0,0,0,0|2,0,0]=4 740 B18R3.152977 CNC1CCCc2c1[nH]c3c2cccc3C 269862a_106832991636_100000721816 [0,2,0,0,0,0|2,0,0]=4 741 B14R1.121 C=CC(=NNCCC)c1ccccc1 4a_100000740057_200000750708 [0,0,2,0,0,0|2,0,0]=4 742 B14R1.121 CCCNN=C(CO)c1ccccc1 4a_100000740057_100000748912 [0,0,2,0,0,0|1,0,1]=4 743 B14R1.123 CCCNCCCOc1ccccc1 2230a_100000216521_100000210303 [0,0,2,0,0,0|0,0,2]=4 744 B14R1.123 CCCNCCCOc1ccccc1 34a_100000216521_100000210303 [0,0,2,0,0,0|0,0,2]=4 745 B14R1.123 CCCNN=CC=Cc1ccccc1 4a_100000740057_100000210105 [0,0,2,0,0,0|2,0,0]=4 746 B14R1.123 CCCNN=CCOc1ccccc1 4a_100000740057_100000758736 [0,0,2,0,0,0|1,0,1]=4 747 B14R1.476 C=Cc1ccccc1C=NNCCC 4a_100000740057_200011996377 [0,0,2,0,0,0|2,0,0]=4 748 B14R1.476 CCCNCCc1ccccc1OC 2230a_100000211851_100000210303 [0,0,2,0,0,0|0,0,2]=4 749 B14R1.476 CCCNCCc1ccccc1OC 270004a_100020643023_100011713418 [0,0,2,0,0,0|0,0,2]=4 750 B14R1.476 CCCNCCc1ccccc1OC 34a_100000211851_100000210303 [0,0,2,0,0,0|0,0,2]=4 751 B14R1.476 CCCNN=Cc1ccccc1OC 4a_100000740057_100000169842 [0,0,2,0,0,0|1,0,1]=4 752 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [0,0,2,0,0,0|2,0,0]=4 753 B14R1.1035 CCCNN=C(C)c1ccccc1O 4a_100000740057_100000188907 [0,0,2,0,0,0|1,0,1]=4 754 B14R1.1035 CCCNNC(=O)c1ccccc1O 22a_100000740057_100015234032 [0,0,2,0,0,0|2,0,0]=4 755 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000188908_100000210303 [0,0,2,0,0,0|2,0,0]=4 756 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000210303_100000188908 [0,0,2,0,0,0|2,0,0]=4 757 B14R1.716 CC(CO)CNCCc1ccccc1 34a_100000744482_100000765856 [0,0,2,0,0,0|0,0,2]=4 758 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 2230a_100000106460_100000059175 [0,0,2,0,0,0|0,0,2]=4 759 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 34a_100000106460_100000059175 [0,0,2,0,0,0|0,0,2]=4 760 B14R1.159 C=C(C)CNCCc1ccccc1O 34a_100011207237_100000748629 [0,0,2,0,0,0|0,0,2]=4 761 B14R1.159 CC(C)CNCCc1ccccc1O 270004a_100011207237_100000210432 [0,0,2,0,0,0|0,0,2]=4 762 B14R1.159 CC(C)CNCCc1ccccc1O 34a_100000210953_100000722297 [0,0,2,0,0,0|0,0,2]=4 763 B14R1.159 CC(C)CNCCc1ccccc1O 34a_100011207237_100000210624 [0,0,2,0,0,0|0,0,2]=4 764 B14R1.159 CC(O)CNCCc1ccccc1O 34a_100000210904_100000722297 [0,0,2,0,0,0|1,0,1]=4 765 B14R1.159 CC(O)CNCCc1ccccc1O 34a_100011207237_100011218427 [0,0,2,0,0,0|1,0,1]=4 766 B14R1.159 CC(O)CNN=Cc1ccccc1O 4a_200000730056_100000185834 [0,0,2,0,0,0|2,0,0]=4 767 B14R1.159 C[C@@H](O)CNCCc1ccccc1O 34a_100011207237_100009817552 [0,0,2,0,0,0|1,0,1]=4 768 B14R1.482 CC(C)C=Cc1ccccc1CCN 271570a_100016257149_100000747383 [0,0,2,0,0,0|1,0,1]=4 769 B14R1.482 CC(C)COc1ccccc1CCN 34a_100011207237_100000210624 [0,0,2,0,0,0|0,0,2]=4 770 B16R3.8 C1=C(CCC1)c2coc3c2cccc3 271570a_100000089523_100009812202 [0,0,1,1,0,0|1,0,1]=4 771 B16R3.1813 c1ccc2c(csc2c1)CN3CCC3 269982a_100000754969_200000742921 [0,0,1,1,0,0|0,1,0]=3 772 B16R3.1814 C(#CC1CC1)c2coc3c2cccc3 271570a_200009880635_100009812202 [0,0,1,1,0,0|1,0,1]=4 773 B16R3.1814 C(=CC1CC1)c2coc3c2cccc3 271570a_100102526188_100009812202 [0,0,1,1,0,0|1,0,1]=4 774 B16R3.1814 c1ccc2c(c1)OCC2=NNC3CC3 4a_100000701032_100000185568 [0,0,1,1,0,0|1,0,1]=4 775 B16R3.1814 c1ccc2c(coc2c1)SCC3CC3 62a_100000756562_100009812202 [0,0,1,1,0,0|2,0,0]=4 776 B16R3.1814 c1ccc2c(csc2c1)CNC3CC3 34a_100000212008_200000742921 [0,0,1,1,0,0|0,1,0]=3 777 B16R3.1814 c1ccc2c(csc2c1)CNC3CC3 34a_100000744611_100000211595 [0,0,1,1,0,0|0,1,0]=3 778 B16R3.1814 c1ccc2c(csc2c1)COC3CC3 34a_100011219454_100000211595 [0,0,1,1,0,0|1,1,0]=4 779 B16R3.1814 c1ccc2c(csc2c1)CSC3CC3 62a_200000742921_100000211595 [0,0,1,1,0,0|1,1,0]=4 780 B16R3.1814 c1ccc2c(noc2c1)CNC3CC3 34a_100000212008_100009813815 [0,0,1,1,0,0|1,0,0]=3 781 B16R3.1814 c1ccc2c(noc2c1)CSC3CC3 62a_100009813815_100000211595 [0,0,1,1,0,0|2,0,0]=4 782 B14R2.16538 CCCNN=C1Cc2c1cccc2 4a_100000740057_100000051409 [0,0,1,0,1,0|1,0,1]=4 783 B14R2.4514 Cc1n[nH]c(c1O)c2ccccc2 271570a_203496583355_200009816416 [0,0,1,0,1,0|1,0,1]=4 784 B14R2.256 Cc1cc(n[nH]1)c2ccccc2O 271570a_100000035170_100015199547 [0,0,1,0,1,0|1,0,1]=4 785 B14R2.256 Cc1cc(n[nH]1)c2ccccc2O 271570a_100009872134_100000739446 [0,0,1,0,1,0|1,0,1]=4 786 B14R2.256 O=C1C=C(CC1)c2ccccc2O 271570a_100010737933_100000739446 [0,0,1,0,1,0|1,0,1]=4 787 B16R2.2441 CCCNCC1=Cc2ccccc2OC1 270004a_100020643023_100000013085 [0,0,1,0,0,1|0,0,1]=3 788 B16R2.2441 CCCNCC1COc2ccccc2C1 2230a_100000703909_100000210303 [0,0,1,0,0,1|0,0,2]=4 789 B16R2.2441 CCCNCC1COc2ccccc2C1 34a_100000703909_100000210303 [0,0,1,0,0,1|0,0,2]=4 790 B16R2.2441 CCCNCC1COc2ccccc2O1 2230a_100000682559_100000210303 [0,0,1,0,0,1|0,0,2]=4 791 B16R2.2441 CCCNCC1COc2ccccc2O1 34a_100000682559_100000210303 [0,0,1,0,0,1|0,0,2]=4 792 B16R2.2441 CCCNCc1cc2ccccc2cn1 207a_100020643023_100000059776 [0,0,1,0,0,1|2,0,0]=4 793 B16R2.2441 CCCNCc1cc2ccccc2cn1 270004a_100020643023_100000059776 [0,0,1,0,0,1|2,0,0]=4 794 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [0,0,1,0,0,1|1,0,0]=3 795 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [0,0,1,0,0,1|1,0,0]=3 796 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [0,0,1,0,0,1|1,0,0]=3 797 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [0,0,1,0,0,1|1,0,0]=3 798 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [0,0,1,0,0,1|1,0,0]=3 799 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [0,0,1,0,0,1|1,0,0]=3 800 B16R2.2441 CCCNCc1ccc2cccnc2c1 207a_100020643023_100011784159 [0,0,1,0,0,1|2,0,0]=4 801 B16R2.2441 CCCNCc1ccc2cccnc2c1 270004a_100020643023_100011784159 [0,0,1,0,0,1|2,0,0]=4 802 B16R2.2441 CCCNCc1ccc2cnccc2c1 207a_100020643023_100000068276 [0,0,1,0,0,1|2,0,0]=4 803 B16R2.2441 CCCNCc1ccc2cnccc2c1 270004a_100020643023_100000068276 [0,0,1,0,0,1|2,0,0]=4 804 B16R2.2441 CCCNCc1ccc2ncccc2c1 207a_100020643023_100000211315 [0,0,1,0,0,1|2,0,0]=4 805 B16R2.2441 CCCNCc1ccc2ncccc2c1 270004a_100020643023_100000211315 [0,0,1,0,0,1|2,0,0]=4 806 B16R2.2441 CCCNCc1ccc2ncccc2c1 34a_100000238500_100000210303 [0,0,1,0,0,1|2,0,0]=4 807 B16R2.2441 CCCNCc1cnc2ccccc2c1 207a_100020643023_100000750898 [0,0,1,0,0,1|1,0,0]=3 808 B16R2.2441 CCCNCc1cnc2ccccc2c1 270004a_100020643023_100000750898 [0,0,1,0,0,1|1,0,0]=3 809 B16R2.2441 CCCNCc1cnc2ccccc2c1 34a_100000742225_100000210303 [0,0,1,0,0,1|1,0,0]=3 810 B16R2.2441 CCCNCc1cnc2ccccc2n1 270004a_100020643023_100000204677 [0,0,1,0,0,1|1,0,0]=3 811 B16R2.2441 CCCNN=C1COc2ccccc2C1 4a_100000740057_100000048293 [0,0,1,0,0,1|1,0,1]=4 812 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [0,0,1,0,0,1|2,0,0]=4 813 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [0,0,1,0,0,1|2,0,0]=4 814 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [0,0,1,0,0,1|2,0,0]=4 815 B16R2.2441 CCCOCc1ccc2ccccc2n1 34a_100000210258_100000737579 [0,0,1,0,0,1|2,0,0]=4 816 B16R2.2441 CCCOCc1cnc2ccccc2c1 34a_100011258773_100000210303 [0,0,1,0,0,1|2,0,0]=4 817 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [0,0,1,0,0,1|2,0,0]=4 818 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [0,0,1,0,0,1|2,0,0]=4 819 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000210303_100000737579 [0,0,1,0,0,1|2,0,0]=4 820 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000737579_100000210303 [0,0,1,0,0,1|2,0,0]=4 821 B16R2.2441 CCCSCc1cnc2ccccc2n1 62a_100000210303_200000751123 [0,0,1,0,0,1|2,0,0]=4 822 B16R2.2441 CCCSCc1cnc2ccccc2n1 62a_200000751123_100000210303 [0,0,1,0,0,1|2,0,0]=4 823 B16R2.2441 COCNCc1ccc2ccccc2c1 2230a_100000739491_100000766300 [0,0,1,0,0,1|2,0,0]=4 824 B16R2.2441 CSCNCc1ccc2ccccc2c1 2230a_100000739491_100011218213 [0,0,1,0,0,1|2,0,0]=4 825 B16R2.2441 CSCNCc1ccc2ccccc2c1 34a_100000739491_100011218213 [0,0,1,0,0,1|2,0,0]=4 826 B16R2.2441 CSCNCc1cnc2ccccc2c1 34a_100000742225_100011218213 [0,0,1,0,0,1|2,0,0]=4 827 B16R2.2441 FCCNCc1ccc2ccccc2c1 2230a_100000739491_100011217306 [0,0,1,0,0,1|2,0,0]=4 828 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000724931_100011216711 [0,0,1,0,0,1|2,0,0]=4 829 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000739491_100011217306 [0,0,1,0,0,1|2,0,0]=4 830 B16R2.2441 FCCNCc1ccc2ccccc2n1 34a_100000724931_100000737579 [0,0,1,0,0,1|2,0,0]=4 831 B16R2.2441 FCCNCc1cnc2ccccc2c1 34a_100000742225_100011217306 [0,0,1,0,0,1|2,0,0]=4 832 B16R2.2441 OCCNCC1=Cc2ccccc2OC1 270004a_100000210304_100000013085 [0,0,1,0,0,1|1,0,1]=4 833 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [0,0,1,0,0,1|2,0,0]=4 834 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [0,0,1,0,0,1|2,0,0]=4 835 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [0,0,1,0,0,1|2,0,0]=4 836 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [0,0,1,0,0,1|2,0,0]=4 837 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [0,0,1,0,0,1|2,0,0]=4 838 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [0,0,1,0,0,1|2,0,0]=4 839 B16R2.2441 OCCNCc1ccc2ccccc2n1 207a_100000210304_100000759686 [0,0,1,0,0,1|2,0,0]=4 840 B16R2.2441 OCCNCc1ccc2ccccc2n1 2230a_100016997473_100000737579 [0,0,1,0,0,1|2,0,0]=4 841 B16R2.2441 OCCNCc1ccc2ccccc2n1 270004a_100000210304_100000759686 [0,0,1,0,0,1|2,0,0]=4 842 B16R2.2441 OCCNCc1ccc2ccccc2n1 34a_100016990907_100000737579 [0,0,1,0,0,1|2,0,0]=4 843 B16R2.2441 OCCNCc1cnc2ccccc2c1 207a_100000210304_100000750898 [0,0,1,0,0,1|2,0,0]=4 844 B16R2.2441 OCCNCc1cnc2ccccc2c1 270004a_100000210304_100000750898 [0,0,1,0,0,1|2,0,0]=4 845 B16R2.2441 OCCNCc1cnc2ccccc2c1 34a_100000742225_100000211926 [0,0,1,0,0,1|2,0,0]=4 846 B16R2.2441 OCCNCc1cnc2ccccc2n1 270004a_100000210304_100000204677 [0,0,1,0,0,1|2,0,0]=4 847 B16R2.50359 CCCNCc1cccc2c1cccc2 207a_100020643023_100000210074 [0,0,1,0,0,1|1,0,0]=3 848 B16R2.50359 CCCNCc1cccc2c1cccc2 270004a_100020643023_100000210074 [0,0,1,0,0,1|1,0,0]=3 849 B16R2.50359 CCCNCc1cccc2c1cccc2 34a_100000753325_100000210303 [0,0,1,0,0,1|1,0,0]=3 850 B16R2.50359 CCCNCc1cccc2c1cccn2 207a_100020643023_100000708479 [0,0,1,0,0,1|2,0,0]=4 851 B16R2.50359 CCCNCc1cccc2c1cccn2 270004a_100020643023_100000708479 [0,0,1,0,0,1|2,0,0]=4 852 B16R2.50359 CCCNCc1cccc2c1ccnc2 207a_100020643023_100000750165 [0,0,1,0,0,1|2,0,0]=4 853 B16R2.50359 CCCNCc1cccc2c1ccnc2 270004a_100020643023_100000750165 [0,0,1,0,0,1|2,0,0]=4 854 B16R2.50359 CCCNCc1cccc2c1cncc2 207a_100020643023_100011934574 [0,0,1,0,0,1|2,0,0]=4 855 B16R2.50359 CCCNCc1cccc2c1cncc2 270004a_100020643023_100011934574 [0,0,1,0,0,1|2,0,0]=4 856 B16R2.50359 CCCNCc1cccc2c1nccc2 207a_100020643023_100000239888 [0,0,1,0,0,1|2,0,0]=4 857 B16R2.50359 CCCNCc1cccc2c1nccc2 270004a_100020643023_100000239888 [0,0,1,0,0,1|2,0,0]=4 858 B16R2.50359 CCCNCc1cncc2c1cccc2 207a_100020643023_100000684730 [0,0,1,0,0,1|1,0,0]=3 859 B16R2.50359 CCCNCc1cncc2c1cccc2 270004a_100020643023_100000684730 [0,0,1,0,0,1|1,0,0]=3 860 B16R2.50359 CCCNCc1nccc2c1cccc2 207a_100020643023_100011361464 [0,0,1,0,0,1|1,0,0]=3 861 B16R2.50359 CCCNCc1nccc2c1cccc2 270004a_100020643023_100011361464 [0,0,1,0,0,1|1,0,0]=3 862 B16R2.50359 CCCNN=C1CCOc2c1cccc2 4a_100000740057_100000195411 [0,0,1,0,0,1|1,0,1]=4 863 B16R2.50359 CCCNN=C1COCc2c1cccc2 4a_100000740057_100000117393 [0,0,1,0,0,1|1,0,1]=4 864 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100000210258_100011261445 [0,0,1,0,0,1|2,0,0]=4 865 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100011216843_100000210303 [0,0,1,0,0,1|2,0,0]=4 866 B16R2.50359 CCCOCc1cccc2c1cccc2 7a_100011216843_100000210303 [0,0,1,0,0,1|2,0,0]=4 867 B16R2.50359 CCCOCc1ccnc2c1cccc2 34a_100000210258_100015192512 [0,0,1,0,0,1|2,0,0]=4 868 B16R2.50359 CCCOCc1nccc2c1cccc2 34a_100000210258_100000033776 [0,0,1,0,0,1|2,0,0]=4 869 B16R2.50359 CCCSCc1cccc2c1cccc2 62a_100000210303_100000188474 [0,0,1,0,0,1|2,0,0]=4 870 B16R2.50359 CCCSCc1cccc2c1cccc2 62a_100011261445_100000210303 [0,0,1,0,0,1|2,0,0]=4 871 B16R2.50359 CCCSCc1ccnc2c1cccc2 62a_100000210303_100015192512 [0,0,1,0,0,1|2,0,0]=4 872 B16R2.50359 CCCSCc1ccnc2c1cccc2 62a_100015192512_100000210303 [0,0,1,0,0,1|2,0,0]=4 873 B16R2.50359 CCCSCc1nccc2c1cccc2 62a_100000033776_100000210303 [0,0,1,0,0,1|2,0,0]=4 874 B16R2.50359 CCCSCc1nccc2c1cccc2 62a_100000210303_100000033776 [0,0,1,0,0,1|2,0,0]=4 875 B16R2.50359 CSCNCc1cccc2c1cccc2 34a_100000753325_100011218213 [0,0,1,0,0,1|2,0,0]=4 876 B16R2.50359 FCCNCc1cccc2c1cccc2 34a_100000724931_100011261445 [0,0,1,0,0,1|2,0,0]=4 877 B16R2.50359 FCCNCc1cccc2c1cccc2 34a_100000753325_100011217306 [0,0,1,0,0,1|2,0,0]=4 878 B16R2.50359 FCCNCc1ccnc2c1cccc2 34a_100000724931_100015192512 [0,0,1,0,0,1|2,0,0]=4 879 B16R2.50359 FCCNCc1nccc2c1cccc2 34a_100000724931_100000033776 [0,0,1,0,0,1|2,0,0]=4 880 B16R2.50359 OCCNCc1cccc2c1cccc2 207a_100000210304_100000210074 [0,0,1,0,0,1|2,0,0]=4 881 B16R2.50359 OCCNCc1cccc2c1cccc2 2230a_100016997473_100011261445 [0,0,1,0,0,1|2,0,0]=4 882 B16R2.50359 OCCNCc1cccc2c1cccc2 270004a_100000210304_100000210074 [0,0,1,0,0,1|2,0,0]=4 883 B16R2.50359 OCCNCc1cccc2c1cccc2 34a_100000753325_100000211926 [0,0,1,0,0,1|2,0,0]=4 884 B16R2.50359 OCCNCc1cccc2c1cccc2 34a_100016990907_100011261445 [0,0,1,0,0,1|2,0,0]=4 885 B16R2.50359 OCCNCc1ccnc2c1cccc2 2230a_100016997473_100015192512 [0,0,1,0,0,1|2,0,0]=4 886 B16R2.50359 OCCNCc1ccnc2c1cccc2 34a_100016990907_100015192512 [0,0,1,0,0,1|2,0,0]=4 887 B16R2.50359 OCCNCc1cncc2c1cccc2 207a_100000210304_100000684730 [0,0,1,0,0,1|2,0,0]=4 888 B16R2.50359 OCCNCc1cncc2c1cccc2 270004a_100000210304_100000684730 [0,0,1,0,0,1|2,0,0]=4 889 B16R2.50359 OCCNCc1nccc2c1cccc2 207a_100000210304_100011361464 [0,0,1,0,0,1|2,0,0]=4 890 B16R2.50359 OCCNCc1nccc2c1cccc2 2230a_100016997473_100000033776 [0,0,1,0,0,1|2,0,0]=4 891 B16R2.50359 OCCNCc1nccc2c1cccc2 270004a_100000210304_100011361464 [0,0,1,0,0,1|2,0,0]=4 892 B16R2.50359 OCCNCc1nccc2c1cccc2 34a_100016990907_100000033776 [0,0,1,0,0,1|2,0,0]=4 893 B16R2.71 CC1CNCCC1=NNc2ccccc2 4a_100015195140_100000703950 [0,0,1,0,0,1|1,0,1]=4 894 B16R2.71 CC1CNCCC1OCc2ccccc2 34a_100011998114_100015291786 [0,0,1,0,0,1|0,0,2]=4 895 B16R2.64 CNCc1cc2ccccc2cc1OC 207a_100102657272_100000118225 [0,0,1,0,0,1|2,0,0]=4 896 B16R2.64 CNCc1cc2ccccc2cc1OC 270004a_106832991635_100000118225 [0,0,1,0,0,1|2,0,0]=4 897 B16R2.64 CNCc1cc2ccccc2nc1OC 207a_100102657272_100000735664 [0,0,1,0,0,1|2,0,0]=4 898 B16R2.64 CNCc1cc2ccccc2nc1OC 270004a_106832991635_100000735664 [0,0,1,0,0,1|2,0,0]=4 899 B16R2.105078 CNCc1c(ccc2c1cccc2)OC 207a_100102657272_100000169848 [0,0,1,0,0,1|2,0,0]=4 900 B16R2.105078 CNCc1c(ccc2c1cccc2)OC 270004a_106832991635_100000169848 [0,0,1,0,0,1|2,0,0]=4 901 B16R2.734 CC(CC#N)Sc1cc2ccccc2o1 62a_100009813641_100010159458 [0,0,1,0,0,1|2,0,0]=4 902 B16R2.734 CC(CCO)Sc1cc2ccccc2o1 62a_100009893172_100010159458 [0,0,1,0,0,1|2,0,0]=4 903 B16R2.734 CCCC(C)Sc1cc2ccccc2[nH]1 62a_100000766640_100010232065 [0,0,1,0,0,1|2,0,0]=4 904 B16R2.734 CCCC(C)Sc1cc2ccccc2o1 62a_100000766640_100010159458 [0,0,1,0,0,1|1,0,0]=3 905 B16R2.734 CCCC(C)Sc1cc2ccccc2s1 62a_100000766640_100009816949 [0,0,1,0,0,1|1,1,0]=4 906 B16R2.734 CCCN(C)Cc1cc2ccccc2o1 270004a_100000747261_100000229944 [0,0,1,0,0,1|2,0,0]=4 907 B16R2.734 COCC(C)Sc1cc2ccccc2[nH]1 62a_100000765312_100010232065 [0,0,1,0,0,1|2,0,0]=4 908 B16R2.734 COCC(C)Sc1cc2ccccc2o1 62a_100000765312_100010159458 [0,0,1,0,0,1|1,0,0]=3 909 B16R2.734 COCC(C)Sc1cc2ccccc2s1 62a_100000765312_100009816949 [0,0,1,0,0,1|1,1,0]=4 910 B16R2.767 CNCC(O)c1ccc2ccccc2c1 2230a_100000754022_200000210301 [0,0,1,0,0,1|2,0,0]=4 911 B16R2.767 CNCC(O)c1ccc2ccccc2c1 34a_100000754022_200000210301 [0,0,1,0,0,1|2,0,0]=4 912 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 2230a_100000754022_200025704644 [0,0,1,0,0,1|2,0,0]=4 913 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 34a_100000754022_200025704644 [0,0,1,0,0,1|2,0,0]=4 914 B16R2.1170 CCC(C)Sc1sc2ccccc2c1C 62a_100000758301_200010198769 [0,0,1,0,0,1|1,1,0]=4 915 B16R2.1170 Cc1c(sc2c1cccc2)SC(C)CO 62a_100012180447_200010198769 [0,0,1,0,0,1|1,1,0]=4 916 B16R2.1170 Cc1c(sc2c1cccc2)S[C@H](C)CO 62a_100016084084_200010198769 [0,0,1,0,0,1|1,1,0]=4