0 B17R3.3 Cc1c[nH]c2c1cccc2C3=CCCC3 271570a_100000089523_100010186758 [0,0,0,0,0,0|2,0,1]=3 1 B17R3.3 Cc1c[nH]c2c1cccc2C3=CCOC3 271570a_100009872500_100010186758 [0,0,0,0,0,0|2,0,1]=3 2 B17R3.3 Cc1c[nH]c2c1cccc2C3=COCC3 271570a_100000118173_100010186758 [0,0,0,0,0,0|3,0,1]=4 3 B17R3.3 Cc1c[nH]c2c1cccc2c3cc[nH]c3 271570a_100000102155_100010186758 [0,0,0,0,0,0|1,0,3]=4 4 B17R3.3 Cc1c[nH]c2c1cccc2c3cc[nH]n3 271570a_100000062414_100010186758 [0,0,0,0,0,0|2,0,2]=4 5 B17R3.3 Cc1c[nH]c2c1cccc2c3cn[nH]c3 271570a_100000041997_100010186758 [0,0,0,0,0,0|2,0,2]=4 6 B17R3.3 Cc1n[nH]c2c1cccc2C3=CCCC3 271570a_100000089523_100010255084 [0,0,0,0,0,0|3,0,1]=4 7 B17R3.3 Cc1n[nH]c2c1cccc2C3=CCOC3 271570a_100009872500_100010255084 [0,0,0,0,0,0|3,0,1]=4 8 B17R3.3 Cc1nnc2n1cccc2C3=CCCC3 271570a_100000089523_200010194233 [0,0,0,0,0,0|4,0,0]=4 9 B17R3.3 Cc1nnc2n1cccc2C3=CCOC3 271570a_100009872500_200010194233 [0,0,0,0,0,0|4,0,0]=4 10 B17R3.3 Cn1ccc2c1cccc2C3=CCCC3 271570a_100000089523_200011934935 [0,0,0,0,0,0|2,0,0]=2 11 B17R3.3 Cn1ccc2c1cccc2C3=CCOC3 271570a_100009872500_200011934935 [0,0,0,0,0,0|2,0,0]=2 12 B17R3.3 Cn1ccc2c1cccc2C3=COCC3 271570a_100000118173_200011934935 [0,0,0,0,0,0|3,0,0]=3 13 B17R3.3 Cn1ccc2c1cccc2c3c[nH]cn3 271570a_100010197305_100000756875 [0,0,0,0,0,0|2,0,2]=4 14 B17R3.3 Cn1ccc2c1cccc2c3cc[nH]c3 271570a_100000102155_200011934935 [0,0,0,0,0,0|1,0,2]=3 15 B17R3.3 Cn1ccc2c1cccc2c3cc[nH]n3 271570a_100000062414_200011934935 [0,0,0,0,0,0|2,0,1]=3 16 B17R3.3 Cn1ccc2c1cccc2c3cc[nH]n3 271570a_100010197305_100000062575 [0,0,0,0,0,0|2,0,1]=3 17 B17R3.3 Cn1ccc2c1cccc2c3ccco3 271570a_100000750936_200011934935 [0,0,0,0,0,0|3,0,1]=4 18 B17R3.3 Cn1ccc2c1cccc2c3ccco3 271570a_100010197305_100009814098 [0,0,0,0,0,0|3,0,1]=4 19 B17R3.3 Cn1ccc2c1cccc2c3cccs3 271570a_100000742291_200011934935 [0,0,0,0,0,0|3,0,1]=4 20 B17R3.3 Cn1ccc2c1cccc2c3cccs3 271570a_100010197305_100011215356 [0,0,0,0,0,0|3,0,1]=4 21 B17R3.3 Cn1ccc2c1cccc2c3ccoc3 271570a_100010197305_100011215275 [0,0,0,0,0,0|2,0,2]=4 22 B17R3.3 Cn1ccc2c1cccc2c3ccoc3 271570a_100011218838_200011934935 [0,0,0,0,0,0|2,0,2]=4 23 B17R3.3 Cn1ccc2c1cccc2c3ccsc3 271570a_100010197305_100000738268 [0,0,0,0,0,0|2,0,2]=4 24 B17R3.3 Cn1ccc2c1cccc2c3ccsc3 271570a_100011934443_200011934935 [0,0,0,0,0,0|2,0,2]=4 25 B17R3.3 Cn1ccc2c1cccc2c3ccsn3 271570a_100010197305_100009818082 [0,0,0,0,0,0|3,0,1]=4 26 B17R3.3 Cn1ccc2c1cccc2c3cn[nH]c3 271570a_100000041997_200011934935 [0,0,0,0,0,0|2,0,1]=3 27 B17R3.3 Cn1ccc2c1cccc2c3cn[nH]c3 271570a_100010197305_100000238712 [0,0,0,0,0,0|2,0,1]=3 28 B17R3.3 Cn1ccc2c1cccc2c3cnco3 271570a_100010197305_100020591547 [0,0,0,0,0,0|4,0,0]=4 29 B17R3.3 Cn1ccc2c1cccc2c3cncs3 271570a_100010197305_100011934649 [0,0,0,0,0,0|4,0,0]=4 30 B17R3.3 Cn1ccc2c1cccc2c3cncs3 271570a_100010231675_200011934935 [0,0,0,0,0,0|4,0,0]=4 31 B17R3.3 Cn1ccc2c1cccc2c3cnoc3 271570a_100010197305_100009815712 [0,0,0,0,0,0|2,0,2]=4 32 B17R3.3 Cn1ccc2c1cccc2c3cnsc3 271570a_100010197305_100009815736 [0,0,0,0,0,0|2,0,2]=4 33 B17R3.3 Cn1ccc2c1cccc2c3cscn3 271570a_100010197305_100000751502 [0,0,0,0,0,0|4,0,0]=4 34 B17R3.3 Cn1ccc2c1cccc2c3nc[nH]n3 271570a_100010197305_100000761765 [0,0,0,0,0,0|3,0,1]=4 35 B17R3.3 Cn1ccc2c1ccnc2C3=CCCC3 271570a_100000089523_100000048735 [0,0,0,0,0,0|3,0,0]=3 36 B17R3.3 Cn1ccc2c1ccnc2C3=CCOC3 271570a_100009872500_100000048735 [0,0,0,0,0,0|3,0,0]=3 37 B17R3.3 Cn1ccc2c1ccnc2C3=COCC3 271570a_100000118173_100000048735 [0,0,0,0,0,0|4,0,0]=4 38 B17R3.3 Cn1ccc2c1ccnc2c3cc[nH]c3 271570a_100000102155_100000048735 [0,0,0,0,0,0|2,0,2]=4 39 B17R3.3 Cn1ccc2c1ccnc2c3cc[nH]n3 271570a_100000062414_100000048735 [0,0,0,0,0,0|3,0,1]=4 40 B17R3.3 Cn1ccc2c1ccnc2c3cn[nH]c3 271570a_100000041997_100000048735 [0,0,0,0,0,0|3,0,1]=4 41 B17R3.3 Cn1ccc2c1nccc2C3=CCCC3 271570a_100000089523_100010168893 [0,0,0,0,0,0|3,0,0]=3 42 B17R3.3 Cn1ccc2c1nccc2C3=CCOC3 271570a_100009872500_100010168893 [0,0,0,0,0,0|3,0,0]=3 43 B17R3.3 Cn1ccc2c1nccc2C3=COCC3 271570a_100000118173_100010168893 [0,0,0,0,0,0|4,0,0]=4 44 B17R3.3 Cn1ccc2c1nccc2c3cc[nH]c3 271570a_100000102155_100010168893 [0,0,0,0,0,0|2,0,2]=4 45 B17R3.3 Cn1ccc2c1nccc2c3cc[nH]n3 271570a_100000062414_100010168893 [0,0,0,0,0,0|3,0,1]=4 46 B17R3.3 Cn1ccc2c1nccc2c3cc[nH]n3 271570a_100010113448_100000062575 [0,0,0,0,0,0|3,0,1]=4 47 B17R3.3 Cn1ccc2c1nccc2c3cn[nH]c3 271570a_100000041997_100010168893 [0,0,0,0,0,0|3,0,1]=4 48 B17R3.3 Cn1ccc2c1nccc2c3cn[nH]c3 271570a_100010113448_100000238712 [0,0,0,0,0,0|3,0,1]=4 49 B17R3.3 Cn1ccc2c1ncnc2C3=CCCC3 271570a_100000089523_100000076352 [0,0,0,0,0,0|4,0,0]=4 50 B17R3.3 Cn1ccc2c1ncnc2C3=CCOC3 271570a_100009872500_100000076352 [0,0,0,0,0,0|4,0,0]=4 51 B17R3.3 Cn1cnc2c1cccc2C3=CCCC3 271570a_100000089523_100000696766 [0,0,0,0,0,0|1,0,0]=1 52 B17R3.3 Cn1cnc2c1cccc2C3=CCOC3 271570a_100009872500_100000696766 [0,0,0,0,0,0|1,0,0]=1 53 B17R3.3 Cn1cnc2c1cccc2C3=COCC3 271570a_100000118173_100000696766 [0,0,0,0,0,0|2,0,0]=2 54 B17R3.3 Cn1cnc2c1cccc2c3cc[nH]c3 271570a_100000102155_100000696766 [0,0,0,0,0,0|0,0,2]=2 55 B17R3.3 Cn1cnc2c1cccc2c3cc[nH]n3 271570a_100000062414_100000696766 [0,0,0,0,0,0|1,0,1]=2 56 B17R3.3 Cn1cnc2c1cccc2c3ccco3 271570a_100000750936_100000696766 [0,0,0,0,0,0|2,0,1]=3 57 B17R3.3 Cn1cnc2c1cccc2c3cccs3 271570a_100000742291_100000696766 [0,0,0,0,0,0|2,0,1]=3 58 B17R3.3 Cn1cnc2c1cccc2c3ccoc3 271570a_100011218838_100000696766 [0,0,0,0,0,0|1,0,2]=3 59 B17R3.3 Cn1cnc2c1cccc2c3ccsc3 271570a_100011934443_100000696766 [0,0,0,0,0,0|1,0,2]=3 60 B17R3.3 Cn1cnc2c1cccc2c3cn[nH]c3 271570a_100000041997_100000696766 [0,0,0,0,0,0|1,0,1]=2 61 B17R3.3 Cn1cnc2c1cccc2c3cncs3 271570a_100010231675_100000696766 [0,0,0,0,0,0|3,0,0]=3 62 B17R3.3 Cn1cnc2c1cccc2c3ncc[nH]3 271570a_100016988920_100000696766 [0,0,0,0,0,0|3,0,1]=4 63 B17R3.3 Cn1cnc2c1ccnc2C3=CCCC3 271570a_100000089523_100000075535 [0,0,0,0,0,0|2,0,0]=2 64 B17R3.3 Cn1cnc2c1ccnc2C3=CCOC3 271570a_100009872500_100000075535 [0,0,0,0,0,0|2,0,0]=2 65 B17R3.3 Cn1cnc2c1ccnc2C3=COCC3 271570a_100000118173_100000075535 [0,0,0,0,0,0|3,0,0]=3 66 B17R3.3 Cn1cnc2c1ccnc2N3CCCC3 27a_100000188435_100000075535 [0,0,0,0,0,0|3,0,1]=4 67 B17R3.3 Cn1cnc2c1ccnc2N3CCSC3 27a_100011215254_100000075535 [0,0,0,0,0,0|3,0,1]=4 68 B17R3.3 Cn1cnc2c1ccnc2c3cc[nH]c3 271570a_100000102155_100000075535 [0,0,0,0,0,0|1,0,2]=3 69 B17R3.3 Cn1cnc2c1ccnc2c3cc[nH]n3 271570a_100000062414_100000075535 [0,0,0,0,0,0|2,0,1]=3 70 B17R3.3 Cn1cnc2c1ccnc2c3ccco3 271570a_100000750936_100000075535 [0,0,0,0,0,0|3,0,1]=4 71 B17R3.3 Cn1cnc2c1ccnc2c3cccs3 271570a_100000742291_100000075535 [0,0,0,0,0,0|3,0,1]=4 72 B17R3.3 Cn1cnc2c1ccnc2c3ccoc3 271570a_100011218838_100000075535 [0,0,0,0,0,0|2,0,2]=4 73 B17R3.3 Cn1cnc2c1ccnc2c3ccsc3 271570a_100011934443_100000075535 [0,0,0,0,0,0|2,0,2]=4 74 B17R3.3 Cn1cnc2c1ccnc2c3cn[nH]c3 271570a_100000041997_100000075535 [0,0,0,0,0,0|2,0,1]=3 75 B17R3.3 Cn1cnc2c1ccnc2c3cncs3 271570a_100010231675_100000075535 [0,0,0,0,0,0|4,0,0]=4 76 B17R3.3 Cn1cnc2c1cncc2C3=CCCC3 271570a_100000089523_100015620871 [0,0,0,0,0,0|2,0,0]=2 77 B17R3.3 Cn1cnc2c1cncc2C3=CCOC3 271570a_100009872500_100015620871 [0,0,0,0,0,0|2,0,0]=2 78 B17R3.3 Cn1cnc2c1cncc2C3=COCC3 271570a_100000118173_100015620871 [0,0,0,0,0,0|3,0,0]=3 79 B17R3.3 Cn1cnc2c1cncc2c3cc[nH]c3 271570a_100000102155_100015620871 [0,0,0,0,0,0|1,0,2]=3 80 B17R3.3 Cn1cnc2c1cncc2c3cc[nH]n3 271570a_100000062414_100015620871 [0,0,0,0,0,0|2,0,1]=3 81 B17R3.3 Cn1cnc2c1cncc2c3ccco3 271570a_100000750936_100015620871 [0,0,0,0,0,0|3,0,1]=4 82 B17R3.3 Cn1cnc2c1cncc2c3cccs3 271570a_100000742291_100015620871 [0,0,0,0,0,0|3,0,1]=4 83 B17R3.3 Cn1cnc2c1cncc2c3ccoc3 271570a_100011218838_100015620871 [0,0,0,0,0,0|2,0,2]=4 84 B17R3.3 Cn1cnc2c1cncc2c3ccsc3 271570a_100011934443_100015620871 [0,0,0,0,0,0|2,0,2]=4 85 B17R3.3 Cn1cnc2c1cncc2c3cn[nH]c3 271570a_100000041997_100015620871 [0,0,0,0,0,0|2,0,1]=3 86 B17R3.3 Cn1cnc2c1cncc2c3cncs3 271570a_100010231675_100015620871 [0,0,0,0,0,0|4,0,0]=4 87 B17R3.3 Cn1cnc2c1ncnc2C3=CCCC3 271570a_100000089523_100000058137 [0,0,0,0,0,0|3,0,0]=3 88 B17R3.3 Cn1cnc2c1ncnc2C3=CCOC3 271570a_100009872500_100000058137 [0,0,0,0,0,0|3,0,0]=3 89 B17R3.3 Cn1cnc2c1ncnc2C3=COCC3 271570a_100000118173_100000058137 [0,0,0,0,0,0|4,0,0]=4 90 B17R3.3 Cn1cnc2c1ncnc2c3cc[nH]c3 271570a_100000102155_100000058137 [0,0,0,0,0,0|2,0,2]=4 91 B17R3.3 Cn1cnc2c1ncnc2c3cc[nH]n3 271570a_100000062414_100000058137 [0,0,0,0,0,0|3,0,1]=4 92 B17R3.3 Cn1cnc2c1ncnc2c3cn[nH]c3 271570a_100000041997_100000058137 [0,0,0,0,0,0|3,0,1]=4 93 B17R3.3 Cn1ncc2c1cccc2C3=CCCC3 271570a_100000089523_100009817161 [0,0,0,0,0,0|3,0,0]=3 94 B17R3.3 Cn1ncc2c1cccc2C3=CCOC3 271570a_100009872500_100009817161 [0,0,0,0,0,0|3,0,0]=3 95 B17R3.3 Cn1ncc2c1cccc2C3=COCC3 271570a_100000118173_100009817161 [0,0,0,0,0,0|4,0,0]=4 96 B17R3.3 Cn1ncc2c1cccc2c3cc[nH]c3 271570a_100000102155_100009817161 [0,0,0,0,0,0|2,0,2]=4 97 B17R3.3 Cn1ncc2c1cccc2c3cc[nH]n3 271570a_100000062414_100009817161 [0,0,0,0,0,0|3,0,1]=4 98 B17R3.3 Cn1ncc2c1cccc2c3cc[nH]n3 271570a_100010232143_100000062575 [0,0,0,0,0,0|3,0,1]=4 99 B17R3.3 Cn1ncc2c1cccc2c3cn[nH]c3 271570a_100000041997_100009817161 [0,0,0,0,0,0|3,0,1]=4 100 B17R3.3 Cn1ncc2c1cccc2c3cn[nH]c3 271570a_100010232143_100000238712 [0,0,0,0,0,0|3,0,1]=4 101 B17R3.3 Cn1ncc2c1ccnc2C3=CCCC3 271570a_100000089523_100015332818 [0,0,0,0,0,0|4,0,0]=4 102 B17R3.3 Cn1ncc2c1ccnc2C3=CCOC3 271570a_100009872500_100015332818 [0,0,0,0,0,0|4,0,0]=4 103 B17R3.3 Cn1ncc2c1cncc2C3=CCCC3 271570a_100000089523_100010218354 [0,0,0,0,0,0|4,0,0]=4 104 B17R3.3 Cn1ncc2c1cncc2C3=CCOC3 271570a_100009872500_100010218354 [0,0,0,0,0,0|4,0,0]=4 105 B17R3.3 Cn1ncc2c1nccc2C3=CCCC3 271570a_100000089523_100013479686 [0,0,0,0,0,0|4,0,0]=4 106 B17R3.3 Cn1ncc2c1nccc2C3=CCOC3 271570a_100009872500_100013479686 [0,0,0,0,0,0|4,0,0]=4 107 B16R3.5924 C1=C(CCC1)c2cccc3c2CCN3 271570a_100000089523_100009817896 [1,0,0,0,0,0|2,0,1]=4 108 B16R3.5924 C1=C(CCC1)c2cccc3c2[nH]cc3 271570a_100000089523_100009813418 [1,0,0,0,0,0|2,0,1]=4 109 B16R3.5924 C1=C(CCC1)c2cccc3c2cc[nH]3 271570a_100000089523_100000685724 [1,0,0,0,0,0|2,0,0]=3 110 B16R3.5924 C1=C(CCC1)c2cccc3c2cco3 271570a_100000089523_100000756496 [1,0,0,0,0,0|3,0,0]=4 111 B16R3.5924 C1=C(CCC1)c2cccc3c2ccs3 271570a_100000089523_100009816950 [1,0,0,0,0,0|3,0,0]=4 112 B16R3.5924 C1=C(CCC1)c2cccc3c2cn[nH]3 271570a_100000089523_100000753301 [1,0,0,0,0,0|3,0,0]=4 113 B16R3.5924 C1=C(CCC1)c2cccc3c2nc[nH]3 271570a_100000089523_100011935113 [1,0,0,0,0,0|1,0,0]=2 114 B16R3.5924 C1=C(CCC1)c2cccc3c2nco3 271570a_100000089523_100009816834 [1,0,0,0,0,0|2,0,0]=3 115 B16R3.5924 C1=C(CCC1)c2cccc3c2ncs3 271570a_100000089523_100000726125 [1,0,0,0,0,0|2,0,0]=3 116 B16R3.5924 C1=C(CCC1)c2cccc3c2non3 271570a_100000089523_100009820244 [1,0,0,0,0,0|2,0,1]=4 117 B16R3.5924 C1=C(CCC1)c2cccc3c2nsn3 271570a_100000089523_100000742359 [1,0,0,0,0,0|2,0,1]=4 118 B16R3.5924 C1=C(CCC1)c2cccc3c2occ3 271570a_100000089523_100011935138 [1,0,0,0,0,0|3,0,0]=4 119 B16R3.5924 C1=C(CCC1)c2cccc3c2ocn3 271570a_100000089523_100000728214 [1,0,0,0,0,0|2,0,1]=4 120 B16R3.5924 C1=C(CCC1)c2cccc3c2scc3 271570a_100000089523_100000766737 [1,0,0,0,0,0|3,0,0]=4 121 B16R3.5924 C1=C(CCC1)c2cccc3c2scn3 271570a_100000089523_100010246326 [1,0,0,0,0,0|2,0,1]=4 122 B16R3.5924 C1=C(CCC1)c2cccc3n2ncc3 271570a_100000089523_100009817731 [1,0,0,0,0,0|3,0,0]=4 123 B16R3.5924 C1=C(CCC1)c2cccc3n2ncn3 271570a_100000089523_100009819724 [1,0,0,0,0,0|2,0,1]=4 124 B16R3.5924 C1=C(CCC1)c2cccn3c2ncc3 271570a_100000089523_100011934911 [1,0,0,0,0,0|3,0,0]=4 125 B16R3.5924 C1=C(CCC1)c2cccn3c2ncn3 271570a_100000089523_100009819722 [1,0,0,0,0,0|2,0,1]=4 126 B16R3.5924 C1=C(CCC1)c2ccnc3c2cc[nH]3 271570a_100000089523_100000049914 [1,0,0,0,0,0|3,0,0]=4 127 B16R3.5924 C1=C(CCC1)c2ccnc3c2nc[nH]3 271570a_100000089523_100009820729 [1,0,0,0,0,0|2,0,0]=3 128 B16R3.5924 C1=C(CCC1)c2ccnc3c2nn[nH]3 271570a_100000089523_100009853804 [1,0,0,0,0,0|3,0,0]=4 129 B16R3.5924 C1=C(CCC1)c2cncc3c2cc[nH]3 271570a_100000089523_100009840476 [1,0,0,0,0,0|3,0,0]=4 130 B16R3.5924 C1=C(CCC1)c2nccc3c2cc[nH]3 271570a_100000089523_100000086534 [1,0,0,0,0,0|3,0,0]=4 131 B16R3.5924 C1=C(CCC1)c2nccc3c2nc[nH]3 271570a_100000089523_100009820035 [1,0,0,0,0,0|2,0,0]=3 132 B16R3.5924 C1=C(CCO1)c2cccc3c2cc[nH]3 271570a_100000118173_100000685724 [1,0,0,0,0,0|3,0,0]=4 133 B16R3.5924 C1=C(CCO1)c2cccc3c2nc[nH]3 271570a_100000118173_100011935113 [1,0,0,0,0,0|2,0,0]=3 134 B16R3.5924 C1=C(CCO1)c2cccc3c2nco3 271570a_100000118173_100009816834 [1,0,0,0,0,0|3,0,0]=4 135 B16R3.5924 C1=C(CCO1)c2cccc3c2ncs3 271570a_100000118173_100000726125 [1,0,0,0,0,0|3,0,0]=4 136 B16R3.5924 C1=C(CCO1)c2ccnc3c2nc[nH]3 271570a_100000118173_100009820729 [1,0,0,0,0,0|3,0,0]=4 137 B16R3.5924 C1=C(CCO1)c2nccc3c2nc[nH]3 271570a_100000118173_100009820035 [1,0,0,0,0,0|3,0,0]=4 138 B16R3.5924 C1=C(COC1)c2cccc3c2CCN3 271570a_100009872500_100009817896 [1,0,0,0,0,0|2,0,1]=4 139 B16R3.5924 C1=C(COC1)c2cccc3c2[nH]cc3 271570a_100009872500_100009813418 [1,0,0,0,0,0|2,0,1]=4 140 B16R3.5924 C1=C(COC1)c2cccc3c2cc[nH]3 271570a_100009872500_100000685724 [1,0,0,0,0,0|2,0,0]=3 141 B16R3.5924 C1=C(COC1)c2cccc3c2cco3 271570a_100009872500_100000756496 [1,0,0,0,0,0|3,0,0]=4 142 B16R3.5924 C1=C(COC1)c2cccc3c2ccs3 271570a_100009872500_100009816950 [1,0,0,0,0,0|3,0,0]=4 143 B16R3.5924 C1=C(COC1)c2cccc3c2cn[nH]3 271570a_100009872500_100000753301 [1,0,0,0,0,0|3,0,0]=4 144 B16R3.5924 C1=C(COC1)c2cccc3c2nc[nH]3 271570a_100009872500_100011935113 [1,0,0,0,0,0|1,0,0]=2 145 B16R3.5924 C1=C(COC1)c2cccc3c2nco3 271570a_100009872500_100009816834 [1,0,0,0,0,0|2,0,0]=3 146 B16R3.5924 C1=C(COC1)c2cccc3c2ncs3 271570a_100009872500_100000726125 [1,0,0,0,0,0|2,0,0]=3 147 B16R3.5924 C1=C(COC1)c2cccc3c2non3 271570a_100009872500_100009820244 [1,0,0,0,0,0|2,0,1]=4 148 B16R3.5924 C1=C(COC1)c2cccc3c2nsn3 271570a_100009872500_100000742359 [1,0,0,0,0,0|2,0,1]=4 149 B16R3.5924 C1=C(COC1)c2cccc3c2occ3 271570a_100009872500_100011935138 [1,0,0,0,0,0|3,0,0]=4 150 B16R3.5924 C1=C(COC1)c2cccc3c2ocn3 271570a_100009872500_100000728214 [1,0,0,0,0,0|2,0,1]=4 151 B16R3.5924 C1=C(COC1)c2cccc3c2scc3 271570a_100009872500_100000766737 [1,0,0,0,0,0|3,0,0]=4 152 B16R3.5924 C1=C(COC1)c2cccc3c2scn3 271570a_100009872500_100010246326 [1,0,0,0,0,0|2,0,1]=4 153 B16R3.5924 C1=C(COC1)c2cccc3n2ncc3 271570a_100009872500_100009817731 [1,0,0,0,0,0|3,0,0]=4 154 B16R3.5924 C1=C(COC1)c2cccc3n2ncn3 271570a_100009872500_100009819724 [1,0,0,0,0,0|2,0,1]=4 155 B16R3.5924 C1=C(COC1)c2cccn3c2ncc3 271570a_100009872500_100011934911 [1,0,0,0,0,0|3,0,0]=4 156 B16R3.5924 C1=C(COC1)c2cccn3c2ncn3 271570a_100009872500_100009819722 [1,0,0,0,0,0|2,0,1]=4 157 B16R3.5924 C1=C(COC1)c2ccnc3c2cc[nH]3 271570a_100009872500_100000049914 [1,0,0,0,0,0|3,0,0]=4 158 B16R3.5924 C1=C(COC1)c2ccnc3c2nc[nH]3 271570a_100009872500_100009820729 [1,0,0,0,0,0|2,0,0]=3 159 B16R3.5924 C1=C(COC1)c2ccnc3c2nn[nH]3 271570a_100009872500_100009853804 [1,0,0,0,0,0|3,0,0]=4 160 B16R3.5924 C1=C(COC1)c2cncc3c2cc[nH]3 271570a_100009872500_100009840476 [1,0,0,0,0,0|3,0,0]=4 161 B16R3.5924 C1=C(COC1)c2nccc3c2cc[nH]3 271570a_100009872500_100000086534 [1,0,0,0,0,0|3,0,0]=4 162 B16R3.5924 C1=C(COC1)c2nccc3c2nc[nH]3 271570a_100009872500_100009820035 [1,0,0,0,0,0|2,0,0]=3 163 B16R3.5924 C1=Cc2cccc(c2C1)C3=CCCC3 271570a_100000089523_100009844718 [1,0,0,0,0,0|3,0,0]=4 164 B16R3.5924 C1=Cc2cccc(c2C1)C3=CCOC3 271570a_100009872500_100009844718 [1,0,0,0,0,0|3,0,0]=4 165 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100000685724 [1,0,0,0,0,0|1,0,2]=4 166 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100000685724 [1,0,0,0,0,0|2,0,1]=4 167 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000069030_100000062575 [1,0,0,0,0,0|2,0,1]=4 168 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100000685724 [1,0,0,0,0,0|2,0,1]=4 169 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000069030_100000238712 [1,0,0,0,0,0|2,0,1]=4 170 B16R3.5924 c1cc(c2nc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100011935113 [1,0,0,0,0,0|0,0,2]=3 171 B16R3.5924 c1cc(c2nc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100011935113 [1,0,0,0,0,0|1,0,1]=3 172 B16R3.5924 c1cc(c2nc[nH]c2c1)c3ccoc3 271570a_100011218838_100011935113 [1,0,0,0,0,0|1,0,2]=4 173 B16R3.5924 c1cc(c2nc[nH]c2c1)c3ccsc3 271570a_100011934443_100011935113 [1,0,0,0,0,0|1,0,2]=4 174 B16R3.5924 c1cc(c2nc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100011935113 [1,0,0,0,0,0|1,0,1]=3 175 B16R3.5924 c1cc(c2nc[nH]c2c1)c3cncs3 271570a_100010231675_100011935113 [1,0,0,0,0,0|3,0,0]=4 176 B16R3.5924 c1cc(c2nc[nH]c2n1)c3cc[nH]c3 271570a_100000102155_100009820729 [1,0,0,0,0,0|1,0,2]=4 177 B16R3.5924 c1cc(c2nc[nH]c2n1)c3cc[nH]n3 271570a_100000062414_100009820729 [1,0,0,0,0,0|2,0,1]=4 178 B16R3.5924 c1cc(c2nc[nH]c2n1)c3cn[nH]c3 271570a_100000041997_100009820729 [1,0,0,0,0,0|2,0,1]=4 179 B16R3.5924 c1cc(c2ncoc2c1)c3cc[nH]c3 271570a_100000102155_100009816834 [1,0,0,0,0,0|1,0,2]=4 180 B16R3.5924 c1cc(c2ncoc2c1)c3cc[nH]n3 271570a_100000062414_100009816834 [1,0,0,0,0,0|2,0,1]=4 181 B16R3.5924 c1cc(c2ncoc2c1)c3cn[nH]c3 271570a_100000041997_100009816834 [1,0,0,0,0,0|2,0,1]=4 182 B16R3.5924 c1cc(c2ncsc2c1)c3cc[nH]c3 271570a_100000102155_100000726125 [1,0,0,0,0,0|1,0,2]=4 183 B16R3.5924 c1cc(c2ncsc2c1)c3cc[nH]n3 271570a_100000062414_100000726125 [1,0,0,0,0,0|2,0,1]=4 184 B16R3.5924 c1cc(c2ncsc2c1)c3cn[nH]c3 271570a_100000041997_100000726125 [1,0,0,0,0,0|2,0,1]=4 185 B16R3.5924 c1cc2[nH]cnc2c(n1)c3cc[nH]c3 271570a_100000102155_100009820035 [1,0,0,0,0,0|1,0,2]=4 186 B16R3.5924 c1cc2[nH]cnc2c(n1)c3cc[nH]n3 271570a_100000062414_100009820035 [1,0,0,0,0,0|2,0,1]=4 187 B16R3.5924 c1cc2[nH]cnc2c(n1)c3cn[nH]c3 271570a_100000041997_100009820035 [1,0,0,0,0,0|2,0,1]=4 188 B16R3.5924 c1coc(c1)c2cccc3c2nc[nH]3 271570a_100000750936_100011935113 [1,0,0,0,0,0|2,0,1]=4 189 B16R3.5924 c1csc(c1)c2cccc3c2nc[nH]3 271570a_100000742291_100011935113 [1,0,0,0,0,0|2,0,1]=4 190 B18R3.41 CCn1cnc2c1ncnc2C3=CCCC3 271570a_100000089523_100000058139 [0,1,0,0,0,0|3,0,0]=4 191 B18R3.41 CCn1cnc2c1ncnc2C3=CCOC3 271570a_100009872500_100000058139 [0,1,0,0,0,0|3,0,0]=4 192 B18R3.36055 Cc1c[nH]nc1c2cccc3c2ccn3C 271570a_100010197305_100009871783 [0,1,0,0,0,0|2,0,1]=4 193 B18R3.36055 Cc1c[nH]nc1c2cccc3c2ccn3C 271570a_100102527747_200011934935 [0,1,0,0,0,0|2,0,1]=4 194 B18R3.36055 Cc1c[nH]nc1c2cccc3c2ncn3C 271570a_100102527747_100000696766 [0,1,0,0,0,0|1,0,1]=3 195 B18R3.36055 Cc1c[nH]nc1c2cncc3c2ncn3C 271570a_100102527747_100015620871 [0,1,0,0,0,0|2,0,1]=4 196 B18R3.36055 Cc1c[nH]nc1c2nccc3c2ncn3C 271570a_100102527747_100000075535 [0,1,0,0,0,0|2,0,1]=4 197 B18R3.36055 Cc1ccsc1c2cccc3c2ncn3C 271570a_100000734444_100000696766 [0,1,0,0,0,0|2,0,1]=4 198 B18R3.36055 Cc1cscc1c2cccc3c2ncn3C 271570a_100000069996_100000696766 [0,1,0,0,0,0|1,0,2]=4 199 B18R3.36055 Cc1n[nH]cc1c2cccc3c2ccn3C 271570a_100000069033_200011934935 [0,1,0,0,0,0|2,0,1]=4 200 B18R3.36055 Cc1n[nH]cc1c2cccc3c2ccn3C 271570a_100010197305_100011912673 [0,1,0,0,0,0|2,0,1]=4 201 B18R3.36055 Cc1n[nH]cc1c2cccc3c2ncn3C 271570a_100000069033_100000696766 [0,1,0,0,0,0|1,0,1]=3 202 B18R3.36055 Cc1n[nH]cc1c2cncc3c2ncn3C 271570a_100000069033_100015620871 [0,1,0,0,0,0|2,0,1]=4 203 B18R3.36055 Cc1n[nH]cc1c2nccc3c2ncn3C 271570a_100000069033_100000075535 [0,1,0,0,0,0|2,0,1]=4 204 B18R3.36055 Cc1ncsc1c2cccc3c2ncn3C 271570a_100010115231_100000696766 [0,1,0,0,0,0|3,0,0]=4 205 B18R3.36055 Cc1occc1c2cccc3c2ncn3C 271570a_100000070625_100000696766 [0,1,0,0,0,0|1,0,2]=4 206 B18R3.36055 Cc1oncc1c2cccc3c2ncn3C 271570a_100000723675_100000696766 [0,1,0,0,0,0|1,0,2]=4 207 B18R3.36055 Cc1sccc1c2cccc3c2ncn3C 271570a_100012356473_100000696766 [0,1,0,0,0,0|1,0,2]=4 208 B18R3.36055 Cn1ccc2c1cccc2c3c[nH]nc3Br 271570a_100010197305_100011012988 [0,1,0,0,0,0|2,0,1]=4 209 B18R3.36055 Cn1ccc2c1cccc2c3c[nH]nc3F 271570a_100010197305_100015597042 [0,1,0,0,0,0|2,0,1]=4 210 B18R3.36055 Cn1ccc2c1cccc2c3c[nH]nc3N 271570a_100010197305_100000717100 [0,1,0,0,0,0|2,0,1]=4 211 B18R3.36055 Cn1ccc2c1cccc2c3n[nH]cc3Br 271570a_100010197305_100015839836 [0,1,0,0,0,0|2,0,1]=4 212 B18R3.36055 Cn1ccc2c1cccc2c3n[nH]cc3N 271570a_100010197305_100010894806 [0,1,0,0,0,0|2,0,1]=4 213 B18R3.36055 Cn1cccc1c2cccc3c2ncn3C 271570a_100000068268_100000696766 [0,1,0,0,0,0|2,0,1]=4 214 B18R3.36055 Cn1cnc2c1cccc2c3ccsc3Cl 271570a_100000117213_100000696766 [0,1,0,0,0,0|1,0,2]=4 215 B18R3.36055 Cn1cncc1c2cccc3c2ncn3C 271570a_100009892668_100000696766 [0,1,0,0,0,0|3,0,0]=4 216 B18R3.36055 Cn1nccc1c2cccc3c2ncn3C 271570a_100000707534_100000696766 [0,1,0,0,0,0|1,0,2]=4 217 B18R3.39999 Cc1c2cccc(c2nn1C)C3=CCCC3 271570a_100000089523_100010255105 [0,1,0,0,0,0|3,0,0]=4 218 B18R3.39999 Cc1c2cccc(c2nn1C)C3=CCOC3 271570a_100009872500_100010255105 [0,1,0,0,0,0|3,0,0]=4 219 B18R3.53494 Cc1ccc2c(c1C3=CCCC3)cnn2C 271570a_100000089523_100010255086 [0,1,0,0,0,0|3,0,0]=4 220 B18R3.53494 Cc1ccc2c(c1C3=CCOC3)cnn2C 271570a_100009872500_100010255086 [0,1,0,0,0,0|3,0,0]=4 221 B18R3.53513 Cc1cc2c(ncn2C)c(n1)C3=CCCC3 271570a_100000089523_100000091626 [0,1,0,0,0,0|2,0,0]=3 222 B18R3.53513 Cc1cc2c(ncn2C)c(n1)C3=CCOC3 271570a_100009872500_100000091626 [0,1,0,0,0,0|2,0,0]=3 223 B18R3.53513 Cc1cc2c(ncn2C)c(n1)C3=COCC3 271570a_100000118173_100000091626 [0,1,0,0,0,0|3,0,0]=4 224 B18R3.53513 Cc1cc2c(ncn2C)c(n1)c3cc[nH]c3 271570a_100000102155_100000091626 [0,1,0,0,0,0|1,0,2]=4 225 B18R3.53513 Cc1cc2c(ncn2C)c(n1)c3cc[nH]n3 271570a_100000062414_100000091626 [0,1,0,0,0,0|2,0,1]=4 226 B18R3.53513 Cc1cc2c(ncn2C)c(n1)c3cn[nH]c3 271570a_100000041997_100000091626 [0,1,0,0,0,0|2,0,1]=4 227 B18R3.53513 Cn1cnc2c1nc(nc2C3=CCCC3)N 271570a_100000089523_100000708713 [0,1,0,0,0,0|3,0,0]=4 228 B18R3.53513 Cn1cnc2c1nc(nc2C3=CCOC3)N 271570a_100009872500_100000708713 [0,1,0,0,0,0|3,0,0]=4 229 B18R3.57887 Cn1nc(c2c1cccc2C3=CCCC3)N 271570a_100000089523_100010211377 [0,1,0,0,0,0|3,0,0]=4 230 B18R3.57887 Cn1nc(c2c1cccc2C3=CCOC3)N 271570a_100009872500_100010211377 [0,1,0,0,0,0|3,0,0]=4 231 B18R3.98743 Cc1ccc(c2c1n(nc2)C)C3=CCCC3 271570a_100000089523_100010255088 [0,1,0,0,0,0|3,0,0]=4 232 B18R3.98743 Cc1ccc(c2c1n(nc2)C)C3=CCOC3 271570a_100009872500_100010255088 [0,1,0,0,0,0|3,0,0]=4 233 B18R3.394761 Cc1cc(cs1)c2cccc3c2ncn3C 271570a_100000699828_100000696766 [0,1,0,0,0,0|1,0,2]=4 234 B18R3.394761 Cc1cc(n[nH]1)c2cccc3c2ccn3C 271570a_100009872134_200011934935 [0,1,0,0,0,0|2,0,1]=4 235 B18R3.394761 Cc1cc(n[nH]1)c2cccc3c2ccn3C 271570a_100010197305_100015199547 [0,1,0,0,0,0|2,0,1]=4 236 B18R3.394761 Cc1cc(n[nH]1)c2cccc3c2ncn3C 271570a_100009872134_100000696766 [0,1,0,0,0,0|1,0,1]=3 237 B18R3.394761 Cc1cc(n[nH]1)c2cncc3c2ncn3C 271570a_100009872134_100015620871 [0,1,0,0,0,0|2,0,1]=4 238 B18R3.394761 Cc1cc(n[nH]1)c2nccc3c2ncn3C 271570a_100009872134_100000075535 [0,1,0,0,0,0|2,0,1]=4 239 B18R3.394761 Cc1ccc(o1)c2cccc3c2ncn3C 271570a_100000061910_100000696766 [0,1,0,0,0,0|2,0,1]=4 240 B18R3.394761 Cc1ccc(s1)c2cccc3c2ncn3C 271570a_100011934456_100000696766 [0,1,0,0,0,0|2,0,1]=4 241 B18R3.394761 Cc1csc(c1)c2cccc3c2ncn3C 271570a_100000038307_100000696766 [0,1,0,0,0,0|2,0,1]=4 242 B18R3.394761 Cc1ncc(s1)c2cccc3c2ncn3C 271570a_100000696845_100000696766 [0,1,0,0,0,0|3,0,0]=4 243 B18R3.394761 Cn1cc(cn1)c2cccc3c2ccn3C 271570a_100000685319_200011934935 [0,1,0,0,0,0|2,0,1]=4 244 B18R3.394761 Cn1cc(cn1)c2cccc3c2ccn3C 271570a_100010197305_100000748075 [0,1,0,0,0,0|2,0,1]=4 245 B18R3.394761 Cn1cc(cn1)c2cccc3c2ncn3C 271570a_100000685319_100000696766 [0,1,0,0,0,0|1,0,1]=3 246 B18R3.394761 Cn1cc(cn1)c2cncc3c2ncn3C 271570a_100000685319_100015620871 [0,1,0,0,0,0|2,0,1]=4 247 B18R3.394761 Cn1cc(cn1)c2nccc3c2ncn3C 271570a_100000685319_100000075535 [0,1,0,0,0,0|2,0,1]=4 248 B18R3.394761 Cn1ccc(c1)c2cccc3c2ccn3C 271570a_100010172022_200011934935 [0,1,0,0,0,0|1,0,2]=4 249 B18R3.394761 Cn1ccc(c1)c2cccc3c2ncn3C 271570a_100010172022_100000696766 [0,1,0,0,0,0|0,0,2]=3 250 B18R3.394761 Cn1ccc(c1)c2cncc3c2ncn3C 271570a_100010172022_100015620871 [0,1,0,0,0,0|1,0,2]=4 251 B18R3.394761 Cn1ccc(c1)c2nccc3c2ncn3C 271570a_100010172022_100000075535 [0,1,0,0,0,0|1,0,2]=4 252 B18R3.394761 Cn1ccc(n1)c2cccc3c2ccn3C 271570a_100010197305_100000752436 [0,1,0,0,0,0|2,0,1]=4 253 B18R3.394761 Cn1ccc(n1)c2cccc3c2ccn3C 271570a_100012348833_200011934935 [0,1,0,0,0,0|2,0,1]=4 254 B18R3.394761 Cn1ccc(n1)c2cccc3c2ncn3C 271570a_100012348833_100000696766 [0,1,0,0,0,0|1,0,1]=3 255 B18R3.394761 Cn1ccc(n1)c2cncc3c2ncn3C 271570a_100012348833_100015620871 [0,1,0,0,0,0|2,0,1]=4 256 B18R3.394761 Cn1ccc(n1)c2nccc3c2ncn3C 271570a_100012348833_100000075535 [0,1,0,0,0,0|2,0,1]=4 257 B18R3.394761 Cn1ccc2c1cccc2C3=CC(=O)CC3 271570a_100010737933_200011934935 [0,1,0,0,0,0|2,0,1]=4 258 B18R3.394761 Cn1ccc2c1cccc2c3cc([nH]n3)N 271570a_100010197305_100009822546 [0,1,0,0,0,0|2,0,1]=4 259 B18R3.394761 Cn1cnc2c1cccc2C3=CC(=O)CC3 271570a_100010737933_100000696766 [0,1,0,0,0,0|1,0,1]=3 260 B18R3.394761 Cn1cnc2c1cccc2c3ccc(s3)Cl 271570a_100000708867_100000696766 [0,1,0,0,0,0|2,0,1]=4 261 B18R3.394761 Cn1cnc2c1ccnc2C3=CC(=O)CC3 271570a_100010737933_100000075535 [0,1,0,0,0,0|2,0,1]=4 262 B18R3.394761 Cn1cnc2c1cncc2C3=CC(=O)CC3 271570a_100010737933_100015620871 [0,1,0,0,0,0|2,0,1]=4 263 B18R3.394761 Cn1ncc(n1)c2cccc3c2ccn3C 271570a_100010197305_100000733932 [0,1,0,0,0,0|3,0,0]=4 264 B16R2.1955 CNc1cccc(c1C#N)C2=CCCC2 271570a_100000089523_200012769483 [0,0,1,0,0,0|3,0,0]=4 265 B16R2.1955 CNc1cccc(c1C#N)C2=CCOC2 271570a_100009872500_200012769483 [0,0,1,0,0,0|3,0,0]=4 266 B16R2.6344 C=CCCSc1cccc2c1ncn2C 62a_100000754431_100000696766 [0,0,1,0,0,0|2,0,1]=4 267 B16R2.6344 CCCC=Cc1cccc2c1[nH]cc2C 271570a_100016258520_100010186758 [0,0,1,0,0,0|2,0,1]=4 268 B16R2.6344 CCCC=Cc1cccc2c1ccn2C 271570a_100016258520_200011934935 [0,0,1,0,0,0|2,0,0]=3 269 B16R2.6344 CCCC=Cc1cccc2c1cnn2C 271570a_100016258520_100009817161 [0,0,1,0,0,0|3,0,0]=4 270 B16R2.6344 CCCC=Cc1cccc2c1ncn2C 271570a_100016258520_100000696766 [0,0,1,0,0,0|1,0,0]=2 271 B16R2.6344 CCCC=Cc1ccnc2c1ccn2C 271570a_100016258520_100010168893 [0,0,1,0,0,0|3,0,0]=4 272 B16R2.6344 CCCC=Cc1cncc2c1ncn2C 271570a_100016258520_100015620871 [0,0,1,0,0,0|2,0,0]=3 273 B16R2.6344 CCCC=Cc1nccc2c1ccn2C 271570a_100016258520_100000048735 [0,0,1,0,0,0|3,0,0]=4 274 B16R2.6344 CCCC=Cc1nccc2c1ncn2C 271570a_100016258520_100000075535 [0,0,1,0,0,0|2,0,0]=3 275 B16R2.6344 CCCC=Cc1ncnc2c1ncn2C 271570a_100016258520_100000058137 [0,0,1,0,0,0|3,0,0]=4 276 B16R2.6344 CCCCSc1cccc2c1ncn2C 62a_100000210211_100000696766 [0,0,1,0,0,0|2,0,1]=4 277 B16R2.6344 CCNN=Cc1cccc2c1ccn2C 4a_100000756455_100011934855 [0,0,1,0,0,0|2,0,1]=4 278 B16R2.6344 CCOC=Cc1cccc2c1ccn2C 271570a_100016256518_200011934935 [0,0,1,0,0,0|3,0,0]=4 279 B16R2.6344 CCOC=Cc1cccc2c1ncn2C 271570a_100016256518_100000696766 [0,0,1,0,0,0|2,0,0]=3 280 B16R2.6344 CCOC=Cc1cncc2c1ncn2C 271570a_100016256518_100015620871 [0,0,1,0,0,0|3,0,0]=4 281 B16R2.6344 CCOC=Cc1nccc2c1ncn2C 271570a_100016256518_100000075535 [0,0,1,0,0,0|3,0,0]=4 282 B16R2.6344 CCOCSc1cccc2c1ncn2C 62a_100000739092_100000696766 [0,0,1,0,0,0|2,0,1]=4 283 B16R2.6344 COCC=Cc1cccc2c1[nH]cc2C 271570a_100016286323_100010186758 [0,0,1,0,0,0|2,0,1]=4 284 B16R2.6344 COCC=Cc1cccc2c1ccn2C 271570a_100016286323_200011934935 [0,0,1,0,0,0|2,0,0]=3 285 B16R2.6344 COCC=Cc1cccc2c1cnn2C 271570a_100016286323_100009817161 [0,0,1,0,0,0|3,0,0]=4 286 B16R2.6344 COCC=Cc1cccc2c1ncn2C 271570a_100016286323_100000696766 [0,0,1,0,0,0|1,0,0]=2 287 B16R2.6344 COCC=Cc1ccnc2c1ccn2C 271570a_100016286323_100010168893 [0,0,1,0,0,0|3,0,0]=4 288 B16R2.6344 COCC=Cc1cncc2c1ncn2C 271570a_100016286323_100015620871 [0,0,1,0,0,0|2,0,0]=3 289 B16R2.6344 COCC=Cc1nccc2c1ccn2C 271570a_100016286323_100000048735 [0,0,1,0,0,0|3,0,0]=4 290 B16R2.6344 COCC=Cc1nccc2c1ncn2C 271570a_100016286323_100000075535 [0,0,1,0,0,0|2,0,0]=3 291 B16R2.6344 COCC=Cc1ncnc2c1ncn2C 271570a_100016286323_100000058137 [0,0,1,0,0,0|3,0,0]=4 292 B16R2.6344 COCCSc1cccc2c1ncn2C 62a_100000233755_100000696766 [0,0,1,0,0,0|2,0,1]=4 293 B16R2.6344 CSCCSc1cccc2c1ncn2C 62a_100000212216_100000696766 [0,0,1,0,0,0|2,0,1]=4 294 B16R2.6344 Cn1cnc2c1cccc2SCCCF 62a_100011934791_100000696766 [0,0,1,0,0,0|3,0,0]=4 295 B16R2.6344 Cn1cnc2c1cccc2SCCCO 62a_100011215043_100000696766 [0,0,1,0,0,0|3,0,0]=4 296 B16R2.29735 CCCC(=O)c1cccc2c1ccn2C 1458a_100000750200_100000210303 [0,0,1,0,0,0|3,0,0]=4 297 B16R2.29735 CNNC(=O)c1cccc2c1ccn2C 22a_100016993582_100000750200 [0,0,1,0,0,0|3,0,0]=4 298 B16R3.4 Cn1cnc2c1ccnc2N3CCC3 27a_100000754969_100000075535 [0,0,0,0,1,0|2,0,1]=4 299 B18R3.1 Cc1c[nH]c2c1cccc2C3=CCCCC3 271570a_100000062251_100010186758 [0,0,0,0,0,1|2,0,1]=4 300 B18R3.1 Cc1c[nH]c2c1cccc2C3=CCCCO3 271570a_100010177797_100010186758 [0,0,0,0,0,1|2,0,1]=4 301 B18R3.1 Cc1c[nH]c2c1cccc2C3=CCNCC3 271570a_100000731432_100010186758 [0,0,0,0,0,1|1,0,1]=3 302 B18R3.1 Cc1c[nH]c2c1cccc2C3=CCOCC3 271570a_100000070234_100010186758 [0,0,0,0,0,1|2,0,1]=4 303 B18R3.1 Cc1c[nH]c2c1cccc2C3=CCSCC3 271570a_100010232141_100010186758 [0,0,0,0,0,1|2,0,1]=4 304 B18R3.1 Cc1c[nH]c2c1cccc2C3=COCCC3 271570a_100010175576_100010186758 [0,0,0,0,0,1|2,0,1]=4 305 B18R3.1 Cc1n[nH]c2c1cccc2C3=CCNCC3 271570a_100000731432_100010255084 [0,0,0,0,0,1|2,0,1]=4 306 B18R3.1 Cc1nnc2n1cccc2C3=CCNCC3 271570a_100000731432_200010194233 [0,0,0,0,0,1|3,0,0]=4 307 B18R3.1 Cn1ccc2c1cccc2C3=CCCCC3 271570a_100000062251_200011934935 [0,0,0,0,0,1|2,0,0]=3 308 B18R3.1 Cn1ccc2c1cccc2C3=CCCCO3 271570a_100010177797_200011934935 [0,0,0,0,0,1|2,0,0]=3 309 B18R3.1 Cn1ccc2c1cccc2C3=CCNCC3 271570a_100000731432_200011934935 [0,0,0,0,0,1|1,0,0]=2 310 B18R3.1 Cn1ccc2c1cccc2C3=CCOCC3 271570a_100000070234_200011934935 [0,0,0,0,0,1|2,0,0]=3 311 B18R3.1 Cn1ccc2c1cccc2C3=CCSCC3 271570a_100010232141_200011934935 [0,0,0,0,0,1|2,0,0]=3 312 B18R3.1 Cn1ccc2c1cccc2C3=COCCC3 271570a_100010175576_200011934935 [0,0,0,0,0,1|2,0,0]=3 313 B18R3.1 Cn1ccc2c1ccnc2C3=CCCCC3 271570a_100000062251_100000048735 [0,0,0,0,0,1|3,0,0]=4 314 B18R3.1 Cn1ccc2c1ccnc2C3=CCCCO3 271570a_100010177797_100000048735 [0,0,0,0,0,1|3,0,0]=4 315 B18R3.1 Cn1ccc2c1ccnc2C3=CCNCC3 271570a_100000731432_100000048735 [0,0,0,0,0,1|2,0,0]=3 316 B18R3.1 Cn1ccc2c1ccnc2C3=CCOCC3 271570a_100000070234_100000048735 [0,0,0,0,0,1|3,0,0]=4 317 B18R3.1 Cn1ccc2c1ccnc2C3=CCSCC3 271570a_100010232141_100000048735 [0,0,0,0,0,1|3,0,0]=4 318 B18R3.1 Cn1ccc2c1ccnc2C3=COCCC3 271570a_100010175576_100000048735 [0,0,0,0,0,1|3,0,0]=4 319 B18R3.1 Cn1ccc2c1nccc2C3=CCCCC3 271570a_100000062251_100010168893 [0,0,0,0,0,1|3,0,0]=4 320 B18R3.1 Cn1ccc2c1nccc2C3=CCCCO3 271570a_100010177797_100010168893 [0,0,0,0,0,1|3,0,0]=4 321 B18R3.1 Cn1ccc2c1nccc2C3=CCNCC3 271570a_100000731432_100010168893 [0,0,0,0,0,1|2,0,0]=3 322 B18R3.1 Cn1ccc2c1nccc2C3=CCOCC3 271570a_100000070234_100010168893 [0,0,0,0,0,1|3,0,0]=4 323 B18R3.1 Cn1ccc2c1nccc2C3=CCSCC3 271570a_100010232141_100010168893 [0,0,0,0,0,1|3,0,0]=4 324 B18R3.1 Cn1ccc2c1nccc2C3=COCCC3 271570a_100010175576_100010168893 [0,0,0,0,0,1|3,0,0]=4 325 B18R3.1 Cn1ccc2c1ncnc2C3=CCNCC3 271570a_100000731432_100000076352 [0,0,0,0,0,1|3,0,0]=4 326 B18R3.1 Cn1cnc2c1cccc2C3=CCCCC3 271570a_100000062251_100000696766 [0,0,0,0,0,1|1,0,0]=2 327 B18R3.1 Cn1cnc2c1cccc2C3=CCCCO3 271570a_100010177797_100000696766 [0,0,0,0,0,1|1,0,0]=2 328 B18R3.1 Cn1cnc2c1cccc2C3=CCNCC3 271570a_100000731432_100000696766 [0,0,0,0,0,1|0,0,0]=1 329 B18R3.1 Cn1cnc2c1cccc2C3=CCOCC3 271570a_100000070234_100000696766 [0,0,0,0,0,1|1,0,0]=2 330 B18R3.1 Cn1cnc2c1cccc2C3=CCSCC3 271570a_100010232141_100000696766 [0,0,0,0,0,1|1,0,0]=2 331 B18R3.1 Cn1cnc2c1cccc2C3=COCCC3 271570a_100010175576_100000696766 [0,0,0,0,0,1|1,0,0]=2 332 B18R3.1 Cn1cnc2c1cccc2c3ccccc3 271570a_100011218836_100000696766 [0,0,0,0,0,1|1,0,2]=4 333 B18R3.1 Cn1cnc2c1cccc2c3ccccn3 271570a_100011264011_100000696766 [0,0,0,0,0,1|1,0,2]=4 334 B18R3.1 Cn1cnc2c1cccc2c3cccnc3 271570a_100000757648_100000696766 [0,0,0,0,0,1|0,0,3]=4 335 B18R3.1 Cn1cnc2c1cccc2c3ccncc3 271570a_100000752145_100000696766 [0,0,0,0,0,1|0,0,3]=4 336 B18R3.1 Cn1cnc2c1cccc2c3cnccn3 271570a_100011962566_100000696766 [0,0,0,0,0,1|0,0,3]=4 337 B18R3.1 Cn1cnc2c1cccc2c3cncnc3 271570a_100000707473_100000696766 [0,0,0,0,0,1|0,0,3]=4 338 B18R3.1 Cn1cnc2c1ccnc2C3=CCCCC3 271570a_100000062251_100000075535 [0,0,0,0,0,1|2,0,0]=3 339 B18R3.1 Cn1cnc2c1ccnc2C3=CCCCO3 271570a_100010177797_100000075535 [0,0,0,0,0,1|2,0,0]=3 340 B18R3.1 Cn1cnc2c1ccnc2C3=CCNCC3 271570a_100000731432_100000075535 [0,0,0,0,0,1|1,0,0]=2 341 B18R3.1 Cn1cnc2c1ccnc2C3=CCOCC3 271570a_100000070234_100000075535 [0,0,0,0,0,1|2,0,0]=3 342 B18R3.1 Cn1cnc2c1ccnc2C3=CCSCC3 271570a_100010232141_100000075535 [0,0,0,0,0,1|2,0,0]=3 343 B18R3.1 Cn1cnc2c1ccnc2C3=COCCC3 271570a_100010175576_100000075535 [0,0,0,0,0,1|2,0,0]=3 344 B18R3.1 Cn1cnc2c1cncc2C3=CCCCC3 271570a_100000062251_100015620871 [0,0,0,0,0,1|2,0,0]=3 345 B18R3.1 Cn1cnc2c1cncc2C3=CCCCO3 271570a_100010177797_100015620871 [0,0,0,0,0,1|2,0,0]=3 346 B18R3.1 Cn1cnc2c1cncc2C3=CCNCC3 271570a_100000731432_100015620871 [0,0,0,0,0,1|1,0,0]=2 347 B18R3.1 Cn1cnc2c1cncc2C3=CCOCC3 271570a_100000070234_100015620871 [0,0,0,0,0,1|2,0,0]=3 348 B18R3.1 Cn1cnc2c1cncc2C3=CCSCC3 271570a_100010232141_100015620871 [0,0,0,0,0,1|2,0,0]=3 349 B18R3.1 Cn1cnc2c1cncc2C3=COCCC3 271570a_100010175576_100015620871 [0,0,0,0,0,1|2,0,0]=3 350 B18R3.1 Cn1cnc2c1ncnc2C3=CCCCC3 271570a_100000062251_100000058137 [0,0,0,0,0,1|3,0,0]=4 351 B18R3.1 Cn1cnc2c1ncnc2C3=CCCCO3 271570a_100010177797_100000058137 [0,0,0,0,0,1|3,0,0]=4 352 B18R3.1 Cn1cnc2c1ncnc2C3=CCNCC3 271570a_100000731432_100000058137 [0,0,0,0,0,1|2,0,0]=3 353 B18R3.1 Cn1cnc2c1ncnc2C3=CCOCC3 271570a_100000070234_100000058137 [0,0,0,0,0,1|3,0,0]=4 354 B18R3.1 Cn1cnc2c1ncnc2C3=CCSCC3 271570a_100010232141_100000058137 [0,0,0,0,0,1|3,0,0]=4 355 B18R3.1 Cn1cnc2c1ncnc2C3=COCCC3 271570a_100010175576_100000058137 [0,0,0,0,0,1|3,0,0]=4 356 B18R3.1 Cn1ncc2c1cccc2C3=CCCCC3 271570a_100000062251_100009817161 [0,0,0,0,0,1|3,0,0]=4 357 B18R3.1 Cn1ncc2c1cccc2C3=CCCCO3 271570a_100010177797_100009817161 [0,0,0,0,0,1|3,0,0]=4 358 B18R3.1 Cn1ncc2c1cccc2C3=CCNCC3 271570a_100000731432_100009817161 [0,0,0,0,0,1|2,0,0]=3 359 B18R3.1 Cn1ncc2c1cccc2C3=CCOCC3 271570a_100000070234_100009817161 [0,0,0,0,0,1|3,0,0]=4 360 B18R3.1 Cn1ncc2c1cccc2C3=CCSCC3 271570a_100010232141_100009817161 [0,0,0,0,0,1|3,0,0]=4 361 B18R3.1 Cn1ncc2c1cccc2C3=COCCC3 271570a_100010175576_100009817161 [0,0,0,0,0,1|3,0,0]=4 362 B18R3.1 Cn1ncc2c1ccnc2C3=CCNCC3 271570a_100000731432_100015332818 [0,0,0,0,0,1|3,0,0]=4 363 B18R3.1 Cn1ncc2c1cncc2C3=CCNCC3 271570a_100000731432_100010218354 [0,0,0,0,0,1|3,0,0]=4 364 B18R3.1 Cn1ncc2c1nccc2C3=CCNCC3 271570a_100000731432_100013479686 [0,0,0,0,0,1|3,0,0]=4 365 B18R3.4 Cn1ccc2c1cccc2C=C3CCCC3 271570a_100010378317_200011934935 [0,0,0,0,0,1|2,0,1]=4 366 B18R3.4 Cn1ccc2c1cccc2Sc3cc[nH]n3 62a_100000062575_200011934935 [0,0,0,0,0,1|2,0,1]=4 367 B18R3.4 Cn1ccc2c1cccc2Sc3cn[nH]c3 62a_100000238712_200011934935 [0,0,0,0,0,1|2,0,1]=4 368 B18R3.4 Cn1cnc2c1cccc2C=C3CCCC3 271570a_100010378317_100000696766 [0,0,0,0,0,1|1,0,1]=3 369 B18R3.4 Cn1cnc2c1cccc2SC3CCCC3 62a_100011217020_100000696766 [0,0,0,0,0,1|1,0,2]=4 370 B18R3.4 Cn1cnc2c1cccc2Sc3c[nH]cn3 62a_100000756875_100000696766 [0,0,0,0,0,1|1,0,2]=4 371 B18R3.4 Cn1cnc2c1cccc2Sc3c[nH]nn3 62a_100009819707_100000696766 [0,0,0,0,0,1|2,0,1]=4 372 B18R3.4 Cn1cnc2c1cccc2Sc3cc[nH]n3 62a_100000062575_100000696766 [0,0,0,0,0,1|1,0,1]=3 373 B18R3.4 Cn1cnc2c1cccc2Sc3ccco3 62a_100009814098_100000696766 [0,0,0,0,0,1|2,0,1]=4 374 B18R3.4 Cn1cnc2c1cccc2Sc3cccs3 62a_100011215356_100000696766 [0,0,0,0,0,1|2,0,1]=4 375 B18R3.4 Cn1cnc2c1cccc2Sc3ccoc3 62a_100011215275_100000696766 [0,0,0,0,0,1|1,0,2]=4 376 B18R3.4 Cn1cnc2c1cccc2Sc3ccon3 62a_100009818083_100000696766 [0,0,0,0,0,1|2,0,1]=4 377 B18R3.4 Cn1cnc2c1cccc2Sc3ccsc3 62a_100000738268_100000696766 [0,0,0,0,0,1|1,0,2]=4 378 B18R3.4 Cn1cnc2c1cccc2Sc3ccsn3 62a_100009818082_100000696766 [0,0,0,0,0,1|2,0,1]=4 379 B18R3.4 Cn1cnc2c1cccc2Sc3cn[nH]c3 62a_100000238712_100000696766 [0,0,0,0,0,1|1,0,1]=3 380 B18R3.4 Cn1cnc2c1cccc2Sc3cnco3 62a_100020591547_100000696766 [0,0,0,0,0,1|3,0,0]=4 381 B18R3.4 Cn1cnc2c1cccc2Sc3cncs3 62a_100011934649_100000696766 [0,0,0,0,0,1|3,0,0]=4 382 B18R3.4 Cn1cnc2c1cccc2Sc3cnoc3 62a_100009815712_100000696766 [0,0,0,0,0,1|1,0,2]=4 383 B18R3.4 Cn1cnc2c1cccc2Sc3cnsc3 62a_100009815736_100000696766 [0,0,0,0,0,1|1,0,2]=4 384 B18R3.4 Cn1cnc2c1cccc2Sc3cscn3 62a_100000751502_100000696766 [0,0,0,0,0,1|3,0,0]=4 385 B18R3.4 Cn1cnc2c1cccc2Sc3nc[nH]n3 62a_100000761765_100000696766 [0,0,0,0,0,1|2,0,1]=4 386 B18R3.4 Cn1cnc2c1ccnc2C=C3CCCC3 271570a_100010378317_100000075535 [0,0,0,0,0,1|2,0,1]=4 387 B18R3.4 Cn1cnc2c1ccnc2Sc3cc[nH]n3 62a_100000062575_100000075535 [0,0,0,0,0,1|2,0,1]=4 388 B18R3.4 Cn1cnc2c1ccnc2Sc3cn[nH]c3 62a_100000238712_100000075535 [0,0,0,0,0,1|2,0,1]=4 389 B18R3.4 Cn1cnc2c1cncc2C=C3CCCC3 271570a_100010378317_100015620871 [0,0,0,0,0,1|2,0,1]=4 390 B18R3.4 Cn1cnc2c1cncc2Sc3cc[nH]n3 62a_100000062575_100015620871 [0,0,0,0,0,1|2,0,1]=4 391 B18R3.4 Cn1cnc2c1cncc2Sc3cc[nH]n3 62a_100015620871_100000062575 [0,0,0,0,0,1|2,0,1]=4 392 B18R3.4 Cn1cnc2c1cncc2Sc3cn[nH]c3 62a_100000238712_100015620871 [0,0,0,0,0,1|2,0,1]=4 393 B18R3.4 Cn1cnc2c1cncc2Sc3cn[nH]c3 62a_100015620871_100000238712 [0,0,0,0,0,1|2,0,1]=4 394 B18R3.56 Cc1ccc2c(cccc2n1)C3=CCCC3 271570a_100000089523_100010173736 [0,0,0,0,0,1|3,0,0]=4 395 B18R3.56 Cc1ccc2c(cccc2n1)C3=CCOC3 271570a_100009872500_100010173736 [0,0,0,0,0,1|3,0,0]=4 396 B18R3.5889 Cc1ccnc2c1cccc2C3=CCCC3 271570a_100000089523_100010254272 [0,0,0,0,0,1|2,0,0]=3 397 B18R3.5889 Cc1ccnc2c1cccc2C3=CCOC3 271570a_100009872500_100010254272 [0,0,0,0,0,1|2,0,0]=3 398 B18R3.5889 Cc1ccnc2c1cccc2C3=COCC3 271570a_100000118173_100010254272 [0,0,0,0,0,1|3,0,0]=4 399 B18R3.5889 Cc1ccnc2c1cccc2c3cc[nH]c3 271570a_100000102155_100010254272 [0,0,0,0,0,1|1,0,2]=4 400 B18R3.5889 Cc1ccnc2c1cccc2c3cc[nH]n3 271570a_100000062414_100010254272 [0,0,0,0,0,1|2,0,1]=4 401 B18R3.5889 Cc1ccnc2c1cccc2c3cn[nH]c3 271570a_100000041997_100010254272 [0,0,0,0,0,1|2,0,1]=4 402 B18R3.5889 Cc1ccnc2c1nccc2C3=CCCC3 271570a_100000089523_200013369187 [0,0,0,0,0,1|3,0,0]=4 403 B18R3.5889 Cc1ccnc2c1nccc2C3=CCOC3 271570a_100009872500_200013369187 [0,0,0,0,0,1|3,0,0]=4 404 B18R3.5889 Cc1nccc2c1cccc2C3=CCCC3 271570a_100000089523_100010137443 [0,0,0,0,0,1|3,0,0]=4 405 B18R3.5889 Cc1nccc2c1cccc2C3=CCOC3 271570a_100009872500_100010137443 [0,0,0,0,0,1|3,0,0]=4 406 B18R3.5889 Nc1ccnc2c1cccc2C3=CCCC3 271570a_100000089523_100011620713 [0,0,0,0,0,1|3,0,0]=4 407 B18R3.5889 Nc1ccnc2c1cccc2C3=CCOC3 271570a_100009872500_100011620713 [0,0,0,0,0,1|3,0,0]=4 408 B18R3.5889 Nc1ncnc2c1cccc2C3=CCCC3 271570a_100000089523_100010199759 [0,0,0,0,0,1|3,0,0]=4 409 B18R3.5889 Nc1ncnc2c1cccc2C3=CCOC3 271570a_100009872500_100010199759 [0,0,0,0,0,1|3,0,0]=4 410 B18R3.5889 Oc1ncnc2c1cccc2C3=CCCC3 271570a_100000089523_100010201916 [0,0,0,0,0,1|3,0,0]=4 411 B18R3.5889 Oc1ncnc2c1cccc2C3=CCOC3 271570a_100009872500_100010201916 [0,0,0,0,0,1|3,0,0]=4 412 B15R2.43 CNCc1ccccc1C2=CCCC2 271570a_100000089523_100000184654 [1,0,1,0,0,0|1,0,1]=4 413 B15R2.43 CNCc1ccccc1C2=CCOC2 271570a_100009872500_100000184654 [1,0,1,0,0,0|1,0,1]=4 414 B15R2.61 C=C(C)c1cccc(c1)C2=CCCC2 271570a_100000089523_100012123953 [1,0,1,0,0,0|2,0,0]=4 415 B15R2.61 C=C(C)c1cccc(c1)C2=CCCC2 271570a_100000694244_200010203063 [1,0,1,0,0,0|2,0,0]=4 416 B15R2.61 C=C(C)c1cccc(c1)C2=CCOC2 271570a_100009872500_100012123953 [1,0,1,0,0,0|2,0,0]=4 417 B15R2.61 CN(C)c1cccc(c1)C2=CCCC2 271570a_100000089523_100011215952 [1,0,1,0,0,0|1,0,1]=4 418 B15R2.61 CN(C)c1cccc(c1)C2=CCOC2 271570a_100009872500_100011215952 [1,0,1,0,0,0|1,0,1]=4 419 B15R2.19 CNc1cccc(c1N)C2=CCCC2 271570a_100000089523_100000695761 [1,0,1,0,0,0|1,0,1]=4 420 B15R2.19 CNc1cccc(c1N)C2=CCOC2 271570a_100009872500_100000695761 [1,0,1,0,0,0|1,0,1]=4 421 B15R2.1445 C=CCSc1cccc2c1ncn2C 62a_100000210623_100000696766 [1,0,1,0,0,0|1,0,1]=4 422 B15R2.1445 CCCCc1cccc2c1ncn2C 271570a_100020621405_100000696766 [1,0,1,0,0,0|0,0,2]=4 423 B15R2.1445 CCCSc1cccc2c1ncn2C 62a_100000210303_100000696766 [1,0,1,0,0,0|1,0,1]=4 424 B15R2.1445 CCNCc1cccc2c1ccn2C 270004a_100015525214_100011934855 [1,0,1,0,0,0|1,0,1]=4 425 B15R2.1445 CCNCc1cccc2c1ccn2C 34a_100011934857_100000210202 [1,0,1,0,0,0|1,0,1]=4 426 B15R2.1445 COCSc1cccc2c1ncn2C 62a_100000766300_100000696766 [1,0,1,0,0,0|2,0,0]=4 427 B15R2.1445 CSCSc1cccc2c1ncn2C 62a_100011218213_100000696766 [1,0,1,0,0,0|2,0,0]=4 428 B15R2.1445 Cn1ccc2c1cccc2CNCF 34a_100011934857_100015361967 [1,0,1,0,0,0|2,0,0]=4 429 B15R2.1445 Cn1cnc2c1cccc2SCCF 62a_100011217306_100000696766 [1,0,1,0,0,0|2,0,0]=4 430 B15R2.1445 Cn1cnc2c1cccc2SCCO 62a_100000211926_100000696766 [1,0,1,0,0,0|2,0,0]=4 431 B15R2.4278 CCCC=Cc1cccc2c1cc[nH]2 271570a_100016258520_100000685724 [1,0,1,0,0,0|2,0,0]=4 432 B15R2.4278 CCCC=Cc1cccc2c1nc[nH]2 271570a_100016258520_100011935113 [1,0,1,0,0,0|1,0,0]=3 433 B15R2.4278 CCCC=Cc1cccc2c1nco2 271570a_100016258520_100009816834 [1,0,1,0,0,0|2,0,0]=4 434 B15R2.4278 CCCC=Cc1cccc2c1ncs2 271570a_100016258520_100000726125 [1,0,1,0,0,0|2,0,0]=4 435 B15R2.4278 CCCC=Cc1ccnc2c1nc[nH]2 271570a_100016258520_100009820729 [1,0,1,0,0,0|2,0,0]=4 436 B15R2.4278 CCCC=Cc1nccc2c1nc[nH]2 271570a_100016258520_100009820035 [1,0,1,0,0,0|2,0,0]=4 437 B15R2.4278 CCOC=Cc1cccc2c1nc[nH]2 271570a_100016256518_100011935113 [1,0,1,0,0,0|2,0,0]=4 438 B15R2.4278 COCC=Cc1cccc2c1cc[nH]2 271570a_100016286323_100000685724 [1,0,1,0,0,0|2,0,0]=4 439 B15R2.4278 COCC=Cc1cccc2c1nc[nH]2 271570a_100016286323_100011935113 [1,0,1,0,0,0|1,0,0]=3 440 B15R2.4278 COCC=Cc1cccc2c1nco2 271570a_100016286323_100009816834 [1,0,1,0,0,0|2,0,0]=4 441 B15R2.4278 COCC=Cc1cccc2c1ncs2 271570a_100016286323_100000726125 [1,0,1,0,0,0|2,0,0]=4 442 B15R2.4278 COCC=Cc1ccnc2c1nc[nH]2 271570a_100016286323_100009820729 [1,0,1,0,0,0|2,0,0]=4 443 B15R2.4278 COCC=Cc1nccc2c1nc[nH]2 271570a_100016286323_100009820035 [1,0,1,0,0,0|2,0,0]=4 444 B15R2.19303 CCC(=O)c1cccc2c1ccn2C 1458a_100000750200_100000210202 [1,0,1,0,0,0|2,0,0]=4 445 B15R2.19303 CNC(=O)c1cccc2c1ccn2C 1626a_100102657272_100000750200 [1,0,1,0,0,0|2,0,0]=4 446 B15R2.19303 CNC(=O)c1cccc2c1ccn2C 240690a_100102657272_100000750200 [1,0,1,0,0,0|2,0,0]=4 447 B15R2.19303 CNC(=O)c1cccc2c1ccn2C 527a_100102657272_100000750200 [1,0,1,0,0,0|2,0,0]=4 448 B15R2.17340 CCCC(=O)c1cccc2c1nc[nH]2 1458a_100000691283_100000210303 [1,0,1,0,0,0|2,0,0]=4 449 B15R2.17340 CNNC(=O)c1cccc2c1nc[nH]2 22a_100016993582_100000691283 [1,0,1,0,0,0|2,0,0]=4 450 B17R2.689 CNC(=O)Cc1ccccc1C2=CCCC2 271570a_100000089523_200009816160 [0,1,1,0,0,0|2,0,0]=4 451 B17R2.689 CNC(=O)Cc1ccccc1C2=CCOC2 271570a_100009872500_200009816160 [0,1,1,0,0,0|2,0,0]=4 452 B17R2.11 CC(C)CC=Cc1cccc2c1ccn2C 271570a_100016259101_200011934935 [0,1,1,0,0,0|2,0,0]=4 453 B17R2.11 CC(C)CC=Cc1cccc2c1ncn2C 271570a_100016259101_100000696766 [0,1,1,0,0,0|1,0,0]=3 454 B17R2.11 CC(C)CC=Cc1cncc2c1ncn2C 271570a_100016259101_100015620871 [0,1,1,0,0,0|2,0,0]=4 455 B17R2.11 CC(C)CC=Cc1nccc2c1ncn2C 271570a_100016259101_100000075535 [0,1,1,0,0,0|2,0,0]=4 456 B17R2.19045 C=CCCCSc1cccc2c1ncn2C 62a_100011713584_100000696766 [0,1,1,0,0,0|2,0,0]=4 457 B17R2.19045 CCCCC=Cc1cccc2c1ccn2C 271570a_100016275911_200011934935 [0,1,1,0,0,0|2,0,0]=4 458 B17R2.19045 CCCCC=Cc1cccc2c1ncn2C 271570a_100016275911_100000696766 [0,1,1,0,0,0|1,0,0]=3 459 B17R2.19045 CCCCC=Cc1cncc2c1ncn2C 271570a_100016275911_100015620871 [0,1,1,0,0,0|2,0,0]=4 460 B17R2.19045 CCCCC=Cc1nccc2c1ncn2C 271570a_100016275911_100000075535 [0,1,1,0,0,0|2,0,0]=4 461 B17R2.19045 Cn1cnc2c1cccc2SCCCC=O 62a_200011292268_100000696766 [0,1,1,0,0,0|2,0,0]=4 462 B17R2.103656 CCCC=Cc1nc(cc2c1ncn2C)C 271570a_100016258520_100000091626 [0,1,1,0,0,0|2,0,0]=4 463 B17R2.103656 COCC=Cc1nc(cc2c1ncn2C)C 271570a_100016286323_100000091626 [0,1,1,0,0,0|2,0,0]=4 464 B17R3.104 Brc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100009814761 [1,1,0,0,0,0|2,0,0]=4 465 B17R3.104 Brc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100009814761 [1,1,0,0,0,0|2,0,0]=4 466 B17R3.104 Cc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010186026 [1,1,0,0,0,0|2,0,0]=4 467 B17R3.104 Cc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010186026 [1,1,0,0,0,0|2,0,0]=4 468 B17R3.104 Fc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010188273 [1,1,0,0,0,0|2,0,0]=4 469 B17R3.104 Fc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010188273 [1,1,0,0,0,0|2,0,0]=4 470 B17R3.104 Fc1cc(c2nc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010192642 [1,1,0,0,0,0|1,0,0]=3 471 B17R3.104 Fc1cc(c2nc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010192642 [1,1,0,0,0,0|1,0,0]=3 472 B17R3.104 Fc1cc(c2nc[nH]c2c1)C3=COCC3 271570a_100000118173_100010192642 [1,1,0,0,0,0|2,0,0]=4 473 B17R3.104 Fc1cc(c2nc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100010192642 [1,1,0,0,0,0|0,0,2]=4 474 B17R3.104 Fc1cc(c2nc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100010192642 [1,1,0,0,0,0|1,0,1]=4 475 B17R3.104 Fc1cc(c2nc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100010192642 [1,1,0,0,0,0|1,0,1]=4 476 B17R3.104 Fc1cc(c2ncoc2c1)C3=CCCC3 271570a_100000089523_100016120941 [1,1,0,0,0,0|2,0,0]=4 477 B17R3.104 Fc1cc(c2ncoc2c1)C3=CCOC3 271570a_100009872500_100016120941 [1,1,0,0,0,0|2,0,0]=4 478 B17R3.104 Nc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010006569 [1,1,0,0,0,0|2,0,0]=4 479 B17R3.104 Nc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010006569 [1,1,0,0,0,0|2,0,0]=4 480 B17R3.135 Cc1cc2c(cccc2[nH]1)C3=CCCC3 271570a_100000089523_100010143266 [1,1,0,0,0,0|2,0,0]=4 481 B17R3.135 Cc1cc2c(cccc2[nH]1)C3=CCOC3 271570a_100009872500_100010143266 [1,1,0,0,0,0|2,0,0]=4 482 B17R3.135 Cc1nc2c(cccc2[nH]1)C3=CCCC3 271570a_100000089523_100012360556 [1,1,0,0,0,0|1,0,0]=3 483 B17R3.135 Cc1nc2c(cccc2[nH]1)C3=CCOC3 271570a_100009872500_100012360556 [1,1,0,0,0,0|1,0,0]=3 484 B17R3.135 Cc1nc2c(cccc2[nH]1)C3=COCC3 271570a_100000118173_100012360556 [1,1,0,0,0,0|2,0,0]=4 485 B17R3.135 Cc1nc2c(cccc2[nH]1)c3cc[nH]c3 271570a_100000102155_100012360556 [1,1,0,0,0,0|0,0,2]=4 486 B17R3.135 Cc1nc2c(cccc2[nH]1)c3cc[nH]n3 271570a_100000062414_100012360556 [1,1,0,0,0,0|1,0,1]=4 487 B17R3.135 Cc1nc2c(cccc2[nH]1)c3cn[nH]c3 271570a_100000041997_100012360556 [1,1,0,0,0,0|1,0,1]=4 488 B17R3.135 Cc1nc2c(cccc2o1)C3=CCCC3 271570a_100000089523_100010883239 [1,1,0,0,0,0|2,0,0]=4 489 B17R3.135 Cc1nc2c(cccc2o1)C3=CCOC3 271570a_100009872500_100010883239 [1,1,0,0,0,0|2,0,0]=4 490 B17R3.135 Cc1nc2c(cccc2s1)C3=CCCC3 271570a_100000089523_100010236672 [1,1,0,0,0,0|2,0,0]=4 491 B17R3.135 Cc1nc2c(cccc2s1)C3=CCOC3 271570a_100009872500_100010236672 [1,1,0,0,0,0|2,0,0]=4 492 B17R3.135 Nc1nc2c(cccc2[nH]1)C3=CCCC3 271570a_100000089523_100012356985 [1,1,0,0,0,0|1,0,0]=3 493 B17R3.135 Nc1nc2c(cccc2[nH]1)C3=CCOC3 271570a_100009872500_100012356985 [1,1,0,0,0,0|1,0,0]=3 494 B17R3.135 Nc1nc2c(cccc2[nH]1)C3=COCC3 271570a_100000118173_100012356985 [1,1,0,0,0,0|2,0,0]=4 495 B17R3.135 Nc1nc2c(cccc2[nH]1)c3cc[nH]c3 271570a_100000102155_100012356985 [1,1,0,0,0,0|0,0,2]=4 496 B17R3.135 Nc1nc2c(cccc2[nH]1)c3cc[nH]n3 271570a_100000062414_100012356985 [1,1,0,0,0,0|1,0,1]=4 497 B17R3.135 Nc1nc2c(cccc2[nH]1)c3cn[nH]c3 271570a_100000041997_100012356985 [1,1,0,0,0,0|1,0,1]=4 498 B17R3.135 Nc1nc2c(cccc2s1)C3=CCCC3 271570a_100000089523_100000724365 [1,1,0,0,0,0|2,0,0]=4 499 B17R3.135 Nc1nc2c(cccc2s1)C3=CCOC3 271570a_100009872500_100000724365 [1,1,0,0,0,0|2,0,0]=4 500 B17R3.135 O=C1Cc2c(cccc2C3=CCCC3)N1 271570a_100000089523_100009816812 [1,1,0,0,0,0|2,0,0]=4 501 B17R3.135 O=C1Cc2c(cccc2C3=CCOC3)N1 271570a_100009872500_100009816812 [1,1,0,0,0,0|2,0,0]=4 502 B17R3.135 O=c1[nH]c2cccc(c2o1)C3=CCCC3 271570a_100000089523_100012360093 [1,1,0,0,0,0|2,0,0]=4 503 B17R3.135 O=c1[nH]c2cccc(c2o1)C3=CCOC3 271570a_100009872500_100012360093 [1,1,0,0,0,0|2,0,0]=4 504 B17R3.135 Oc1nc2c(cccc2[nH]1)C3=CCCC3 271570a_100000089523_100012347640 [1,1,0,0,0,0|1,0,0]=3 505 B17R3.135 Oc1nc2c(cccc2[nH]1)C3=CCOC3 271570a_100009872500_100012347640 [1,1,0,0,0,0|1,0,0]=3 506 B17R3.135 Oc1nc2c(cccc2[nH]1)C3=COCC3 271570a_100000118173_100012347640 [1,1,0,0,0,0|2,0,0]=4 507 B17R3.135 Oc1nc2c(cccc2[nH]1)c3cc[nH]c3 271570a_100000102155_100012347640 [1,1,0,0,0,0|0,0,2]=4 508 B17R3.135 Oc1nc2c(cccc2[nH]1)c3cc[nH]n3 271570a_100000062414_100012347640 [1,1,0,0,0,0|1,0,1]=4 509 B17R3.135 Oc1nc2c(cccc2[nH]1)c3cn[nH]c3 271570a_100000041997_100012347640 [1,1,0,0,0,0|1,0,1]=4 510 B17R3.135 Oc1nc2c(cncc2[nH]1)C3=CCCC3 271570a_100000089523_100012340553 [1,1,0,0,0,0|2,0,0]=4 511 B17R3.135 Oc1nc2c(cncc2[nH]1)C3=CCOC3 271570a_100009872500_100012340553 [1,1,0,0,0,0|2,0,0]=4 512 B17R3.2468 Cc1ccc2[nH]ccc2c1C3=CCCC3 271570a_100000089523_100010248896 [1,1,0,0,0,0|2,0,0]=4 513 B17R3.2468 Cc1ccc2[nH]ccc2c1C3=CCOC3 271570a_100009872500_100010248896 [1,1,0,0,0,0|2,0,0]=4 514 B17R3.2468 Fc1ccc2[nH]ccc2c1C3=CCCC3 271570a_100000089523_100102525403 [1,1,0,0,0,0|2,0,0]=4 515 B17R3.2468 Fc1ccc2[nH]ccc2c1C3=CCOC3 271570a_100009872500_100102525403 [1,1,0,0,0,0|2,0,0]=4 516 B17R3.2468 Fc1ccc2[nH]cnc2c1C3=CCCC3 271570a_100000089523_200010369618 [1,1,0,0,0,0|1,0,0]=3 517 B17R3.2468 Fc1ccc2[nH]cnc2c1C3=CCOC3 271570a_100009872500_200010369618 [1,1,0,0,0,0|1,0,0]=3 518 B17R3.2468 Fc1ccc2[nH]cnc2c1C3=COCC3 271570a_100000118173_200010369618 [1,1,0,0,0,0|2,0,0]=4 519 B17R3.2468 Fc1ccc2[nH]cnc2c1c3cc[nH]c3 271570a_100000102155_200010369618 [1,1,0,0,0,0|0,0,2]=4 520 B17R3.2468 Fc1ccc2[nH]cnc2c1c3cc[nH]n3 271570a_100000062414_200010369618 [1,1,0,0,0,0|1,0,1]=4 521 B17R3.2468 Fc1ccc2[nH]cnc2c1c3cn[nH]c3 271570a_100000041997_200010369618 [1,1,0,0,0,0|1,0,1]=4 522 B17R3.2468 Nc1ccc2[nH]cnc2c1C3=CCCC3 271570a_100000089523_100009816657 [1,1,0,0,0,0|1,0,0]=3 523 B17R3.2468 Nc1ccc2[nH]cnc2c1C3=CCOC3 271570a_100009872500_100009816657 [1,1,0,0,0,0|1,0,0]=3 524 B17R3.2468 Nc1ccc2[nH]cnc2c1C3=COCC3 271570a_100000118173_100009816657 [1,1,0,0,0,0|2,0,0]=4 525 B17R3.2468 Nc1ccc2[nH]cnc2c1c3cc[nH]c3 271570a_100000102155_100009816657 [1,1,0,0,0,0|0,0,2]=4 526 B17R3.2468 Nc1ccc2[nH]cnc2c1c3cc[nH]n3 271570a_100000062414_100009816657 [1,1,0,0,0,0|1,0,1]=4 527 B17R3.2468 Nc1ccc2[nH]cnc2c1c3cn[nH]c3 271570a_100000041997_100009816657 [1,1,0,0,0,0|1,0,1]=4 528 B17R3.2468 Nc1ccc2scnc2c1C3=CCCC3 271570a_100000089523_100009816736 [1,1,0,0,0,0|2,0,0]=4 529 B17R3.2468 Nc1ccc2scnc2c1C3=CCOC3 271570a_100009872500_100009816736 [1,1,0,0,0,0|2,0,0]=4 530 B17R3.2637 Cc1c[nH]nc1c2cccc3c2nc[nH]3 271570a_100102527747_100011935113 [1,1,0,0,0,0|1,0,1]=4 531 B17R3.2637 Cc1n[nH]cc1c2cccc3c2nc[nH]3 271570a_100000069033_100011935113 [1,1,0,0,0,0|1,0,1]=4 532 B17R3.4837 Cc1ccc(c2c1[nH]cc2)C3=CCCC3 271570a_100000089523_100009820812 [1,1,0,0,0,0|2,0,0]=4 533 B17R3.4837 Cc1ccc(c2c1[nH]cc2)C3=CCOC3 271570a_100009872500_100009820812 [1,1,0,0,0,0|2,0,0]=4 534 B17R3.4837 Fc1ccc(c2c1[nH]cc2)C3=CCCC3 271570a_100000089523_100010006601 [1,1,0,0,0,0|2,0,0]=4 535 B17R3.4837 Fc1ccc(c2c1[nH]cc2)C3=CCOC3 271570a_100009872500_100010006601 [1,1,0,0,0,0|2,0,0]=4 536 B17R3.4837 Fc1cnc(c2c1[nH]cn2)C3=CCCC3 271570a_100000089523_100009853726 [1,1,0,0,0,0|2,0,0]=4 537 B17R3.4837 Fc1cnc(c2c1[nH]cn2)C3=CCOC3 271570a_100009872500_100009853726 [1,1,0,0,0,0|2,0,0]=4 538 B17R3.17527 Cc1cc(n[nH]1)c2cccc3c2nc[nH]3 271570a_100009872134_100011935113 [1,1,0,0,0,0|1,0,1]=4 539 B17R3.17527 Cn1cc(cn1)c2cccc3c2nc[nH]3 271570a_100000685319_100011935113 [1,1,0,0,0,0|1,0,1]=4 540 B17R3.17527 Cn1ccc(c1)c2cccc3c2nc[nH]3 271570a_100010172022_100011935113 [1,1,0,0,0,0|0,0,2]=4 541 B17R3.17527 Cn1ccc(n1)c2cccc3c2nc[nH]3 271570a_100012348833_100011935113 [1,1,0,0,0,0|1,0,1]=4 542 B17R3.17527 O=C1C=C(CC1)c2cccc3c2nc[nH]3 271570a_100010737933_100011935113 [1,1,0,0,0,0|1,0,1]=4 543 B17R3.30068 Cc1c[nH]c2c1c(ccc2)C3=CCCC3 271570a_100000089523_100010194227 [1,1,0,0,0,0|2,0,0]=4 544 B17R3.30068 Cc1c[nH]c2c1c(ccc2)C3=CCOC3 271570a_100009872500_100010194227 [1,1,0,0,0,0|2,0,0]=4 545 B19R3.2 CCn1cnc2c1ncnc2C3=CCNCC3 271570a_100000731432_100000058139 [0,1,0,0,0,1|2,0,0]=4 546 B19R3.5828 Cc1ccc2c(c1C3=CCNCC3)cnn2C 271570a_100000731432_100010255086 [0,1,0,0,0,1|2,0,0]=4 547 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=CCCCC3 271570a_100000062251_100000091626 [0,1,0,0,0,1|2,0,0]=4 548 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=CCCCO3 271570a_100010177797_100000091626 [0,1,0,0,0,1|2,0,0]=4 549 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=CCNCC3 271570a_100000731432_100000091626 [0,1,0,0,0,1|1,0,0]=3 550 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=CCOCC3 271570a_100000070234_100000091626 [0,1,0,0,0,1|2,0,0]=4 551 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=CCSCC3 271570a_100010232141_100000091626 [0,1,0,0,0,1|2,0,0]=4 552 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=COCCC3 271570a_100010175576_100000091626 [0,1,0,0,0,1|2,0,0]=4 553 B19R3.5829 Cn1cnc2c1nc(nc2C3=CCNCC3)N 271570a_100000731432_100000708713 [0,1,0,0,0,1|2,0,0]=4 554 B19R3.6006 Cn1nc(c2c1cccc2C3=CCNCC3)N 271570a_100000731432_100010211377 [0,1,0,0,0,1|2,0,0]=4 555 B19R3.57968 Cn1cnc2c1cccc2c3ccc[nH]c3=O 271570a_100000099769_100000696766 [0,1,0,0,0,1|0,0,2]=4 556 B19R3.69035 Cc1c2cccc(c2nn1C)C3=CCNCC3 271570a_100000731432_100010255105 [0,1,0,0,0,1|2,0,0]=4 557 B19R3.167855 Cc1ccc(c2c1n(nc2)C)C3=CCNCC3 271570a_100000731432_100010255088 [0,1,0,0,0,1|2,0,0]=4 558 B19R3.239595 CC1CC=C(CC1)c2cccc3c2ccn3C 271570a_100010240233_200011934935 [0,1,0,0,0,1|2,0,0]=4 559 B19R3.239595 CC1CC=C(CC1)c2cccc3c2ncn3C 271570a_100010240233_100000696766 [0,1,0,0,0,1|1,0,0]=3 560 B19R3.239595 CC1CC=C(CC1)c2cncc3c2ncn3C 271570a_100010240233_100015620871 [0,1,0,0,0,1|2,0,0]=4 561 B19R3.239595 CC1CC=C(CC1)c2nccc3c2ncn3C 271570a_100010240233_100000075535 [0,1,0,0,0,1|2,0,0]=4 562 B19R3.239595 Cn1ccc2c1cccc2C3=CCC(CC3)O 271570a_100010254553_200011934935 [0,1,0,0,0,1|2,0,0]=4 563 B19R3.239595 Cn1cnc2c1cccc2C3=CCC(CC3)O 271570a_100010254553_100000696766 [0,1,0,0,0,1|1,0,0]=3 564 B19R3.239595 Cn1cnc2c1cccc2c3cnc(=O)[nH]c3 271570a_100000079150_100000696766 [0,1,0,0,0,1|0,0,2]=4 565 B19R3.239595 Cn1cnc2c1ccnc2C3=CCC(CC3)O 271570a_100010254553_100000075535 [0,1,0,0,0,1|2,0,0]=4 566 B19R3.239595 Cn1cnc2c1cncc2C3=CCC(CC3)O 271570a_100010254553_100015620871 [0,1,0,0,0,1|2,0,0]=4 567 B19R3.2145874 Cn1ccc2c1cccc2C3=CC(=O)CCC3 271570a_100000723966_200011934935 [0,1,0,0,0,1|2,0,0]=4 568 B19R3.2145874 Cn1cnc2c1cccc2C3=CC(=O)CCC3 271570a_100000723966_100000696766 [0,1,0,0,0,1|1,0,0]=3 569 B19R3.2145874 Cn1cnc2c1ccnc2C3=CC(=O)CCC3 271570a_100000723966_100000075535 [0,1,0,0,0,1|2,0,0]=4 570 B19R3.2145874 Cn1cnc2c1cncc2C3=CC(=O)CCC3 271570a_100000723966_100015620871 [0,1,0,0,0,1|2,0,0]=4 571 B19R3.51796 Cc1cc(n[nH]1)Sc2cccc3c2ncn3C 62a_100009819999_100000696766 [0,1,0,0,0,1|1,0,1]=4 572 B19R3.51796 Cn1cc(cn1)Sc2cccc3c2ncn3C 62a_100000745744_100000696766 [0,1,0,0,0,1|1,0,1]=4 573 B19R3.51796 Cn1ccc(n1)Sc2cccc3c2ncn3C 62a_100000752436_100000696766 [0,1,0,0,0,1|1,0,1]=4 574 B19R3.51796 Cn1cnc2c1cccc2Sc3cc([nH]n3)N 62a_100009822546_100000696766 [0,1,0,0,0,1|1,0,1]=4 575 B19R3.51796 Cn1ncc(n1)Sc2cccc3c2ncn3C 62a_100000733932_100000696766 [0,1,0,0,0,1|2,0,0]=4 576 B19R3.74590 Cc1c[nH]nc1Sc2cccc3c2ncn3C 62a_100009871783_100000696766 [0,1,0,0,0,1|1,0,1]=4 577 B19R3.74590 Cc1n[nH]cc1Sc2cccc3c2ncn3C 62a_100000692133_100000696766 [0,1,0,0,0,1|1,0,1]=4 578 B19R3.74590 Cn1cnc2c1cccc2SC3CCCC3=O 62a_100000211823_100000696766 [0,1,0,0,0,1|1,0,1]=4 579 B19R3.74590 Cn1cnc2c1cccc2Sc3c[nH]nc3Br 62a_100011012988_100000696766 [0,1,0,0,0,1|1,0,1]=4 580 B19R3.74590 Cn1cnc2c1cccc2Sc3c[nH]nc3F 62a_100015597042_100000696766 [0,1,0,0,0,1|1,0,1]=4 581 B19R3.74590 Cn1cnc2c1cccc2Sc3c[nH]nc3N 62a_100000717100_100000696766 [0,1,0,0,0,1|1,0,1]=4 582 B19R3.74590 Cn1cnc2c1cccc2Sc3n[nH]cc3Br 62a_100015839836_100000696766 [0,1,0,0,0,1|1,0,1]=4 583 B19R3.74590 Cn1cnc2c1cccc2Sc3n[nH]cc3N 62a_100010894806_100000696766 [0,1,0,0,0,1|1,0,1]=4 584 B19R3.152719 Cc1ccnc2c1c(ccc2C3=CCCC3)C 271570a_100000089523_200010761301 [0,1,0,0,0,1|2,0,0]=4 585 B19R3.152719 Cc1ccnc2c1c(ccc2C3=CCOC3)C 271570a_100009872500_200010761301 [0,1,0,0,0,1|2,0,0]=4 586 B19R3.18930 Cc1nn(cc1c2cccc3c2ncn3C)C 271570a_100011935086_100000696766 [0,2,0,0,0,0|1,0,1]=4 587 B19R3.18986 Cc1n[nH]c(c1c2cccc3c2ncn3C)C 271570a_100000067762_100000696766 [0,2,0,0,0,0|1,0,1]=4 588 B19R3.6680778 Cc1c(cnn1C)c2cccc3c2ncn3C 271570a_100011935085_100000696766 [0,2,0,0,0,0|1,0,1]=4 589 B19R3.1821052 CCn1cc(cn1)c2cccc3c2ncn3C 271570a_100011935084_100000696766 [0,2,0,0,0,0|1,0,1]=4 590 B17R3.31515 Cn1ccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100011934912 [0,0,1,1,0,0|2,0,0]=4 591 B17R3.31515 Cn1ccc2c1cc(cc2)C3=CCOC3 271570a_100009872500_100011934912 [0,0,1,1,0,0|2,0,0]=4 592 B17R3.31515 Cn1cnc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100000702186 [0,0,1,1,0,0|1,0,0]=3 593 B17R3.31515 Cn1cnc2c1cc(cc2)C3=CCOC3 271570a_100009872500_100000702186 [0,0,1,1,0,0|1,0,0]=3 594 B17R3.31515 Cn1cnc2c1cc(cc2)C3=COCC3 271570a_100000118173_100000702186 [0,0,1,1,0,0|2,0,0]=4 595 B17R3.31515 Cn1cnc2c1cc(cc2)c3cc[nH]c3 271570a_100000102155_100000702186 [0,0,1,1,0,0|0,0,2]=4 596 B17R3.31515 Cn1cnc2c1cc(cc2)c3cc[nH]n3 271570a_100000062414_100000702186 [0,0,1,1,0,0|1,0,1]=4 597 B17R3.31515 Cn1cnc2c1cc(cc2)c3cc[nH]n3 271570a_100000702454_100000062575 [0,0,1,1,0,0|1,0,1]=4 598 B17R3.31515 Cn1cnc2c1cc(cc2)c3cn[nH]c3 271570a_100000041997_100000702186 [0,0,1,1,0,0|1,0,1]=4 599 B17R3.31515 Cn1cnc2c1cc(cc2)c3cn[nH]c3 271570a_100000702454_100000238712 [0,0,1,1,0,0|1,0,1]=4 600 B17R3.31515 Cn1cnc2c1cc(nc2)C3=CCCC3 271570a_100000089523_100009863791 [0,0,1,1,0,0|2,0,0]=4 601 B17R3.31515 Cn1cnc2c1cc(nc2)C3=CCOC3 271570a_100009872500_100009863791 [0,0,1,1,0,0|2,0,0]=4 602 B17R3.31515 Cn1nnc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010241234 [0,0,1,1,0,0|2,0,0]=4 603 B17R3.31515 Cn1nnc2c1cc(cc2)C3=CCOC3 271570a_100009872500_100010241234 [0,0,1,1,0,0|2,0,0]=4 604 B17R3.3250 Cn1ccc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100011202928 [0,0,1,1,0,0|2,0,0]=4 605 B17R3.3250 Cn1ccc2c1ccc(c2)C3=CCOC3 271570a_100009872500_100011202928 [0,0,1,1,0,0|2,0,0]=4 606 B17R3.3250 Cn1ccc2c1ncc(c2)C3=CCCC3 271570a_100000089523_100010191616 [0,0,1,1,0,0|1,0,0]=3 607 B17R3.3250 Cn1ccc2c1ncc(c2)C3=CCOC3 271570a_100009872500_100010191616 [0,0,1,1,0,0|1,0,0]=3 608 B17R3.3250 Cn1ccc2c1ncc(c2)C3=COCC3 271570a_100000118173_100010191616 [0,0,1,1,0,0|2,0,0]=4 609 B17R3.3250 Cn1ccc2c1ncc(c2)c3cc[nH]c3 271570a_100000102155_100010191616 [0,0,1,1,0,0|0,0,2]=4 610 B17R3.3250 Cn1ccc2c1ncc(c2)c3cc[nH]n3 271570a_100000062414_100010191616 [0,0,1,1,0,0|1,0,1]=4 611 B17R3.3250 Cn1ccc2c1ncc(c2)c3cc[nH]n3 271570a_100010082778_100000062575 [0,0,1,1,0,0|1,0,1]=4 612 B17R3.3250 Cn1ccc2c1ncc(c2)c3cn[nH]c3 271570a_100000041997_100010191616 [0,0,1,1,0,0|1,0,1]=4 613 B17R3.3250 Cn1ccc2c1ncc(c2)c3cn[nH]c3 271570a_100010082778_100000238712 [0,0,1,1,0,0|1,0,1]=4 614 B17R3.3250 Cn1ccc2c1ncc(n2)C3=CCCC3 271570a_100000089523_100010168881 [0,0,1,1,0,0|2,0,0]=4 615 B17R3.3250 Cn1ccc2c1ncc(n2)C3=CCOC3 271570a_100009872500_100010168881 [0,0,1,1,0,0|2,0,0]=4 616 B17R3.3250 Cn1cnc2c1ncc(c2)C3=CCCC3 271570a_100000089523_100010197353 [0,0,1,1,0,0|2,0,0]=4 617 B17R3.3250 Cn1cnc2c1ncc(c2)C3=CCOC3 271570a_100009872500_100010197353 [0,0,1,1,0,0|2,0,0]=4 618 B17R3.3250 Cn1ncc2c1ncc(c2)C3=CCCC3 271570a_100000089523_100011554430 [0,0,1,1,0,0|2,0,0]=4 619 B17R3.3250 Cn1ncc2c1ncc(c2)C3=CCOC3 271570a_100009872500_100011554430 [0,0,1,1,0,0|2,0,0]=4 620 B17R3.1882 Cn1ccc2c1cccc2C=CC3CC3 271570a_100102526188_200011934935 [0,0,1,1,0,0|2,0,0]=4 621 B17R3.1882 Cn1cnc2c1cccc2C=CC3CC3 271570a_100102526188_100000696766 [0,0,1,1,0,0|1,0,0]=3 622 B17R3.1882 Cn1cnc2c1ccnc2C=CC3CC3 271570a_100102526188_100000075535 [0,0,1,1,0,0|2,0,0]=4 623 B17R3.1882 Cn1cnc2c1cncc2C=CC3CC3 271570a_100102526188_100015620871 [0,0,1,1,0,0|2,0,0]=4 624 B17R3.1885 C=C(c1cccc2c1ccn2C)C3CC3 271570a_100010895485_200011934935 [0,0,1,1,0,0|2,0,0]=4 625 B17R3.1885 C=C(c1cccc2c1ncn2C)C3CC3 271570a_100010895485_100000696766 [0,0,1,1,0,0|1,0,0]=3 626 B17R3.1885 C=C(c1cncc2c1ncn2C)C3CC3 271570a_100010895485_100015620871 [0,0,1,1,0,0|2,0,0]=4 627 B17R3.1885 C=C(c1nccc2c1ncn2C)C3CC3 271570a_100010895485_100000075535 [0,0,1,1,0,0|2,0,0]=4 628 B15R3.2 Cn1ccc2c1cccc2C3CC3 271570a_100011220607_200011934935 [0,0,0,0,2,0|1,0,1]=4 629 B15R3.2 Cn1cnc2c1cccc2C3CC3 271570a_100011220607_100000696766 [0,0,0,0,2,0|0,0,1]=3 630 B15R3.2 Cn1cnc2c1ccnc2C3CC3 271570a_100011220607_100000075535 [0,0,0,0,2,0|1,0,1]=4 631 B15R3.2 Cn1cnc2c1cncc2C3CC3 271570a_100011220607_100015620871 [0,0,0,0,2,0|1,0,1]=4 632 B17R2.1794 CNc1cccc(c1C#N)C2=CCNCC2 271570a_100000731432_200012769483 [0,0,1,0,0,1|2,0,0]=4 633 B17R2.9370 CCCC=Cc1cccc2c1nccc2C 271570a_100016258520_100010254272 [0,0,1,0,0,1|2,0,0]=4 634 B17R2.9370 COCC=Cc1cccc2c1nccc2C 271570a_100016286323_100010254272 [0,0,1,0,0,1|2,0,0]=4 635 B17R3.1910 C(=C1CCCC1)c2cccc3c2nc[nH]3 271570a_100010378317_100011935113 [1,0,0,0,0,1|1,0,1]=4 636 B17R3.1910 c1cc(c2nc[nH]c2c1)Sc3cc[nH]n3 62a_100000062575_100011935113 [1,0,0,0,0,1|1,0,1]=4 637 B17R3.1910 c1cc(c2nc[nH]c2c1)Sc3cn[nH]c3 62a_100000238712_100011935113 [1,0,0,0,0,1|1,0,1]=4 638 B17R3.8707 C1=C(CCCC1)c2cccc3c2cc[nH]3 271570a_100000062251_100000685724 [1,0,0,0,0,1|2,0,0]=4 639 B17R3.8707 C1=C(CCCC1)c2cccc3c2nc[nH]3 271570a_100000062251_100011935113 [1,0,0,0,0,1|1,0,0]=3 640 B17R3.8707 C1=C(CCCC1)c2cccc3c2nco3 271570a_100000062251_100009816834 [1,0,0,0,0,1|2,0,0]=4 641 B17R3.8707 C1=C(CCCC1)c2cccc3c2ncs3 271570a_100000062251_100000726125 [1,0,0,0,0,1|2,0,0]=4 642 B17R3.8707 C1=C(CCCC1)c2ccnc3c2nc[nH]3 271570a_100000062251_100009820729 [1,0,0,0,0,1|2,0,0]=4 643 B17R3.8707 C1=C(CCCC1)c2nccc3c2nc[nH]3 271570a_100000062251_100009820035 [1,0,0,0,0,1|2,0,0]=4 644 B17R3.8707 C1=C(CCCO1)c2cccc3c2cc[nH]3 271570a_100010175576_100000685724 [1,0,0,0,0,1|2,0,0]=4 645 B17R3.8707 C1=C(CCCO1)c2cccc3c2nc[nH]3 271570a_100010175576_100011935113 [1,0,0,0,0,1|1,0,0]=3 646 B17R3.8707 C1=C(CCCO1)c2cccc3c2nco3 271570a_100010175576_100009816834 [1,0,0,0,0,1|2,0,0]=4 647 B17R3.8707 C1=C(CCCO1)c2cccc3c2ncs3 271570a_100010175576_100000726125 [1,0,0,0,0,1|2,0,0]=4 648 B17R3.8707 C1=C(CCCO1)c2ccnc3c2nc[nH]3 271570a_100010175576_100009820729 [1,0,0,0,0,1|2,0,0]=4 649 B17R3.8707 C1=C(CCCO1)c2nccc3c2nc[nH]3 271570a_100010175576_100009820035 [1,0,0,0,0,1|2,0,0]=4 650 B17R3.8707 C1=C(CCNC1)c2cccc3c2CCN3 271570a_100000731432_100009817896 [1,0,0,0,0,1|1,0,1]=4 651 B17R3.8707 C1=C(CCNC1)c2cccc3c2[nH]cc3 271570a_100000731432_100009813418 [1,0,0,0,0,1|1,0,1]=4 652 B17R3.8707 C1=C(CCNC1)c2cccc3c2cc[nH]3 271570a_100000731432_100000685724 [1,0,0,0,0,1|1,0,0]=3 653 B17R3.8707 C1=C(CCNC1)c2cccc3c2cco3 271570a_100000731432_100000756496 [1,0,0,0,0,1|2,0,0]=4 654 B17R3.8707 C1=C(CCNC1)c2cccc3c2ccs3 271570a_100000731432_100009816950 [1,0,0,0,0,1|2,0,0]=4 655 B17R3.8707 C1=C(CCNC1)c2cccc3c2cn[nH]3 271570a_100000731432_100000753301 [1,0,0,0,0,1|2,0,0]=4 656 B17R3.8707 C1=C(CCNC1)c2cccc3c2nc[nH]3 271570a_100000731432_100011935113 [1,0,0,0,0,1|0,0,0]=2 657 B17R3.8707 C1=C(CCNC1)c2cccc3c2nco3 271570a_100000731432_100009816834 [1,0,0,0,0,1|1,0,0]=3 658 B17R3.8707 C1=C(CCNC1)c2cccc3c2ncs3 271570a_100000731432_100000726125 [1,0,0,0,0,1|1,0,0]=3 659 B17R3.8707 C1=C(CCNC1)c2cccc3c2non3 271570a_100000731432_100009820244 [1,0,0,0,0,1|1,0,1]=4 660 B17R3.8707 C1=C(CCNC1)c2cccc3c2nsn3 271570a_100000731432_100000742359 [1,0,0,0,0,1|1,0,1]=4 661 B17R3.8707 C1=C(CCNC1)c2cccc3c2occ3 271570a_100000731432_100011935138 [1,0,0,0,0,1|2,0,0]=4 662 B17R3.8707 C1=C(CCNC1)c2cccc3c2ocn3 271570a_100000731432_100000728214 [1,0,0,0,0,1|1,0,1]=4 663 B17R3.8707 C1=C(CCNC1)c2cccc3c2scc3 271570a_100000731432_100000766737 [1,0,0,0,0,1|2,0,0]=4 664 B17R3.8707 C1=C(CCNC1)c2cccc3c2scn3 271570a_100000731432_100010246326 [1,0,0,0,0,1|1,0,1]=4 665 B17R3.8707 C1=C(CCNC1)c2cccc3n2ncc3 271570a_100000731432_100009817731 [1,0,0,0,0,1|2,0,0]=4 666 B17R3.8707 C1=C(CCNC1)c2cccc3n2ncn3 271570a_100000731432_100009819724 [1,0,0,0,0,1|1,0,1]=4 667 B17R3.8707 C1=C(CCNC1)c2cccn3c2ncc3 271570a_100000731432_100011934911 [1,0,0,0,0,1|2,0,0]=4 668 B17R3.8707 C1=C(CCNC1)c2cccn3c2ncn3 271570a_100000731432_100009819722 [1,0,0,0,0,1|1,0,1]=4 669 B17R3.8707 C1=C(CCNC1)c2ccnc3c2cc[nH]3 271570a_100000731432_100000049914 [1,0,0,0,0,1|2,0,0]=4 670 B17R3.8707 C1=C(CCNC1)c2ccnc3c2nc[nH]3 271570a_100000731432_100009820729 [1,0,0,0,0,1|1,0,0]=3 671 B17R3.8707 C1=C(CCNC1)c2ccnc3c2nn[nH]3 271570a_100000731432_100009853804 [1,0,0,0,0,1|2,0,0]=4 672 B17R3.8707 C1=C(CCNC1)c2cncc3c2cc[nH]3 271570a_100000731432_100009840476 [1,0,0,0,0,1|2,0,0]=4 673 B17R3.8707 C1=C(CCNC1)c2nccc3c2cc[nH]3 271570a_100000731432_100000086534 [1,0,0,0,0,1|2,0,0]=4 674 B17R3.8707 C1=C(CCNC1)c2nccc3c2nc[nH]3 271570a_100000731432_100009820035 [1,0,0,0,0,1|1,0,0]=3 675 B17R3.8707 C1=C(CCOC1)c2cccc3c2cc[nH]3 271570a_100000070234_100000685724 [1,0,0,0,0,1|2,0,0]=4 676 B17R3.8707 C1=C(CCOC1)c2cccc3c2nc[nH]3 271570a_100000070234_100011935113 [1,0,0,0,0,1|1,0,0]=3 677 B17R3.8707 C1=C(CCOC1)c2cccc3c2nco3 271570a_100000070234_100009816834 [1,0,0,0,0,1|2,0,0]=4 678 B17R3.8707 C1=C(CCOC1)c2cccc3c2ncs3 271570a_100000070234_100000726125 [1,0,0,0,0,1|2,0,0]=4 679 B17R3.8707 C1=C(CCOC1)c2ccnc3c2nc[nH]3 271570a_100000070234_100009820729 [1,0,0,0,0,1|2,0,0]=4 680 B17R3.8707 C1=C(CCOC1)c2nccc3c2nc[nH]3 271570a_100000070234_100009820035 [1,0,0,0,0,1|2,0,0]=4 681 B17R3.8707 C1=C(CCSC1)c2cccc3c2cc[nH]3 271570a_100010232141_100000685724 [1,0,0,0,0,1|2,0,0]=4 682 B17R3.8707 C1=C(CCSC1)c2cccc3c2nc[nH]3 271570a_100010232141_100011935113 [1,0,0,0,0,1|1,0,0]=3 683 B17R3.8707 C1=C(CCSC1)c2cccc3c2nco3 271570a_100010232141_100009816834 [1,0,0,0,0,1|2,0,0]=4 684 B17R3.8707 C1=C(CCSC1)c2cccc3c2ncs3 271570a_100010232141_100000726125 [1,0,0,0,0,1|2,0,0]=4 685 B17R3.8707 C1=C(CCSC1)c2ccnc3c2nc[nH]3 271570a_100010232141_100009820729 [1,0,0,0,0,1|2,0,0]=4 686 B17R3.8707 C1=C(CCSC1)c2nccc3c2nc[nH]3 271570a_100010232141_100009820035 [1,0,0,0,0,1|2,0,0]=4 687 B17R3.8707 C1=C(OCCC1)c2cccc3c2cc[nH]3 271570a_100010177797_100000685724 [1,0,0,0,0,1|2,0,0]=4 688 B17R3.8707 C1=C(OCCC1)c2cccc3c2nc[nH]3 271570a_100010177797_100011935113 [1,0,0,0,0,1|1,0,0]=3 689 B17R3.8707 C1=C(OCCC1)c2cccc3c2nco3 271570a_100010177797_100009816834 [1,0,0,0,0,1|2,0,0]=4 690 B17R3.8707 C1=C(OCCC1)c2cccc3c2ncs3 271570a_100010177797_100000726125 [1,0,0,0,0,1|2,0,0]=4 691 B17R3.8707 C1=C(OCCC1)c2ccnc3c2nc[nH]3 271570a_100010177797_100009820729 [1,0,0,0,0,1|2,0,0]=4 692 B17R3.8707 C1=C(OCCC1)c2nccc3c2nc[nH]3 271570a_100010177797_100009820035 [1,0,0,0,0,1|2,0,0]=4 693 B17R3.8707 C1=Cc2cccc(c2C1)C3=CCNCC3 271570a_100000731432_100009844718 [1,0,0,0,0,1|2,0,0]=4 694 B19R3.9 Cn1cnc2c1cccc2SC3C=CCCC3 62a_100000751183_100000696766 [0,0,0,0,0,2|1,0,1]=4 695 B19R3.102 Cc1ccc2c(cccc2n1)C3=CCNCC3 271570a_100000731432_100010173736 [0,0,0,0,0,2|2,0,0]=4 696 B19R3.2349 Cn1ccc2c1cccc2C3=CCCCCC3 271570a_200009888920_200011934935 [0,0,0,0,0,2|2,0,0]=4 697 B19R3.2349 Cn1cnc2c1cccc2C3=CCCCCC3 271570a_200009888920_100000696766 [0,0,0,0,0,2|1,0,0]=3 698 B19R3.2349 Cn1cnc2c1ccnc2C3=CCCCCC3 271570a_200009888920_100000075535 [0,0,0,0,0,2|2,0,0]=4 699 B19R3.2349 Cn1cnc2c1cncc2C3=CCCCCC3 271570a_200009888920_100015620871 [0,0,0,0,0,2|2,0,0]=4 700 B19R3.8297 Cc1ccnc2c1cccc2C3=CCCCC3 271570a_100000062251_100010254272 [0,0,0,0,0,2|2,0,0]=4 701 B19R3.8297 Cc1ccnc2c1cccc2C3=CCCCO3 271570a_100010177797_100010254272 [0,0,0,0,0,2|2,0,0]=4 702 B19R3.8297 Cc1ccnc2c1cccc2C3=CCNCC3 271570a_100000731432_100010254272 [0,0,0,0,0,2|1,0,0]=3 703 B19R3.8297 Cc1ccnc2c1cccc2C3=CCOCC3 271570a_100000070234_100010254272 [0,0,0,0,0,2|2,0,0]=4 704 B19R3.8297 Cc1ccnc2c1cccc2C3=CCSCC3 271570a_100010232141_100010254272 [0,0,0,0,0,2|2,0,0]=4 705 B19R3.8297 Cc1ccnc2c1cccc2C3=COCCC3 271570a_100010175576_100010254272 [0,0,0,0,0,2|2,0,0]=4 706 B19R3.8297 Cc1ccnc2c1nccc2C3=CCNCC3 271570a_100000731432_200013369187 [0,0,0,0,0,2|2,0,0]=4 707 B19R3.8297 Cc1nccc2c1cccc2C3=CCNCC3 271570a_100000731432_100010137443 [0,0,0,0,0,2|2,0,0]=4 708 B19R3.8297 Nc1ccnc2c1cccc2C3=CCNCC3 271570a_100000731432_100011620713 [0,0,0,0,0,2|2,0,0]=4 709 B19R3.8297 Nc1ncnc2c1cccc2C3=CCNCC3 271570a_100000731432_100010199759 [0,0,0,0,0,2|2,0,0]=4 710 B19R3.8297 Oc1ncnc2c1cccc2C3=CCNCC3 271570a_100000731432_100010201916 [0,0,0,0,0,2|2,0,0]=4