0 B15R2.43 C=C=Cc1ccccc1c2nccs2 271570a_100015277604_103496549459 [0,0,0,0,0,0|2,0,2]=4 1 B15R2.43 C=CCc1ccccc1c2c[nH]cn2 271570a_200010742005_100000756875 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.43 C=CCc1ccccc1c2cc[nH]c2 271570a_100000102155_100009828059 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.43 C=CCc1ccccc1c2cc[nH]n2 271570a_100000062414_100009828059 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.43 C=CCc1ccccc1c2cc[nH]n2 271570a_200010742005_100000062575 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.43 C=CCc1ccccc1c2ccco2 271570a_100000750936_100009828059 [0,0,0,0,0,0|1,1,1]=3 6 B15R2.43 C=CCc1ccccc1c2ccco2 271570a_200010742005_100009814098 [0,0,0,0,0,0|1,1,1]=3 7 B15R2.43 C=CCc1ccccc1c2cccs2 271570a_100000742291_100009828059 [0,0,0,0,0,0|1,0,1]=2 8 B15R2.43 C=CCc1ccccc1c2cccs2 271570a_200010742005_100011215356 [0,0,0,0,0,0|1,0,1]=2 9 B15R2.43 C=CCc1ccccc1c2ccoc2 271570a_100011218838_100009828059 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.43 C=CCc1ccccc1c2ccoc2 271570a_200010742005_100011215275 [0,0,0,0,0,0|3,0,1]=4 11 B15R2.43 C=CCc1ccccc1c2ccsc2 271570a_100011934443_100009828059 [0,0,0,0,0,0|3,0,1]=4 12 B15R2.43 C=CCc1ccccc1c2ccsc2 271570a_200010742005_100000738268 [0,0,0,0,0,0|3,0,1]=4 13 B15R2.43 C=CCc1ccccc1c2ccsn2 271570a_200010742005_100009818082 [0,0,0,0,0,0|3,0,1]=4 14 B15R2.43 C=CCc1ccccc1c2cnco2 271570a_200010742005_100020591547 [0,0,0,0,0,0|2,1,1]=4 15 B15R2.43 C=CCc1ccccc1c2cncs2 271570a_100010231675_100009828059 [0,0,0,0,0,0|2,0,1]=3 16 B15R2.43 C=CCc1ccccc1c2cncs2 271570a_200010742005_100011934649 [0,0,0,0,0,0|2,0,1]=3 17 B15R2.43 C=CCc1ccccc1c2cscn2 271570a_200010742005_100000751502 [0,0,0,0,0,0|3,0,1]=4 18 B15R2.43 C=CCc1ccccc1c2ncc[nH]2 271570a_100016988920_100009828059 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.43 C=CCc1ccccc1c2ncc[nH]2 271570a_200010742005_100025796157 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.43 C=CCc1ccccc1c2ncco2 271570a_200010742005_100011787736 [0,0,0,0,0,0|2,1,1]=4 21 B15R2.43 C=CCc1ccccc1c2nccs2 271570a_200010742005_100000211983 [0,0,0,0,0,0|2,0,1]=3 22 B15R2.43 C=CCc1ccccc1c2ncns2 271570a_200010742005_100000693119 [0,0,0,0,0,0|3,0,1]=4 23 B15R2.43 C=CCc1ccccc1c2nncs2 271570a_200010742005_100000739804 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.43 CC=Cc1ccccc1c2cc[nH]n2 271570a_100016259895_100011216357 [0,0,0,0,0,0|3,0,1]=4 25 B15R2.43 CC=Cc1ccccc1c2ccno2 271570a_100016259895_100011218344 [0,0,0,0,0,0|2,1,1]=4 26 B15R2.43 CC=Cc1ccccc1c2cnco2 271570a_100016259895_100009816723 [0,0,0,0,0,0|2,1,1]=4 27 B15R2.43 CC=Cc1ccccc1c2cocn2 271570a_100016259895_100010198669 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.43 CC=Cc1ccccc1c2ncc[nH]2 271570a_100016259895_100011532729 [0,0,0,0,0,0|3,0,1]=4 29 B15R2.43 CC=Cc1ccccc1c2ncco2 271570a_100016259895_100010188011 [0,0,0,0,0,0|2,1,1]=4 30 B15R2.43 CC=Cc1ccccc1c2nccs2 271570a_100016259895_103496549459 [0,0,0,0,0,0|2,0,1]=3 31 B15R2.43 CC=Cc1ccccc1n2cccc2 271570a_100016259895_200000178846 [0,0,0,0,0,0|3,0,1]=4 32 B15R2.43 CC=Cc1ccccc1n2cccn2 271570a_100016259895_100011313175 [0,0,0,0,0,0|3,0,1]=4 33 B15R2.43 CCCc1ncncc1c2ccco2 271570a_100000750936_100009816987 [0,0,0,0,0,0|3,1,0]=4 34 B15R2.43 CCCc1ncncc1c2cccs2 271570a_100000742291_100009816987 [0,0,0,0,0,0|3,0,0]=3 35 B15R2.43 CCCc1ncncc1c2cncs2 271570a_100010231675_100009816987 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.43 CCNc1ccccc1c2cc[nH]c2 271570a_100000102155_114873767003 [0,0,0,0,0,0|4,0,0]=4 37 B15R2.43 CCNc1ccccc1c2cc[nH]n2 271570a_100000062414_114873767003 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.43 CCNc1ccccc1c2ccco2 271570a_100000750936_114873767003 [0,0,0,0,0,0|2,1,0]=3 39 B15R2.43 CCNc1ccccc1c2ccco2 34a_200020605208_100000210202 [0,0,0,0,0,0|2,1,0]=3 40 B15R2.43 CCNc1ccccc1c2cccs2 271570a_100000742291_114873767003 [0,0,0,0,0,0|2,0,0]=2 41 B15R2.43 CCNc1ccccc1c2ccoc2 271570a_100011218838_114873767003 [0,0,0,0,0,0|4,0,0]=4 42 B15R2.43 CCNc1ccccc1c2ccsc2 271570a_100011934443_114873767003 [0,0,0,0,0,0|4,0,0]=4 43 B15R2.43 CCNc1ccccc1c2cncs2 271570a_100010231675_114873767003 [0,0,0,0,0,0|3,0,0]=3 44 B15R2.43 CCNc1ccccc1c2ncc[nH]2 271570a_100016988920_114873767003 [0,0,0,0,0,0|4,0,0]=4 45 B15R2.43 CCNc1ccccc1n2cccc2 34a_100000187513_100000210202 [0,0,0,0,0,0|4,0,0]=4 46 B15R2.43 CCNc1ccccc1n2cccn2 2230a_100000738828_100000210202 [0,0,0,0,0,0|4,0,0]=4 47 B15R2.43 CCNc1ccccc1n2cccn2 34a_100000738828_100000210202 [0,0,0,0,0,0|4,0,0]=4 48 B15R2.43 CCOc1ccccc1c2c[nH]cn2 271570a_100011217569_100000756875 [0,0,0,0,0,0|4,0,0]=4 49 B15R2.43 CCOc1ccccc1c2cc[nH]c2 271570a_100000102155_100000230754 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.43 CCOc1ccccc1c2cc[nH]n2 271570a_100000062414_100000230754 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.43 CCOc1ccccc1c2cc[nH]n2 271570a_100011217569_100000062575 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.43 CCOc1ccccc1c2ccco2 271570a_100000750936_100000230754 [0,0,0,0,0,0|2,1,0]=3 53 B15R2.43 CCOc1ccccc1c2ccco2 271570a_100011217569_100009814098 [0,0,0,0,0,0|2,1,0]=3 54 B15R2.43 CCOc1ccccc1c2cccs2 271570a_100000742291_100000230754 [0,0,0,0,0,0|2,0,0]=2 55 B15R2.43 CCOc1ccccc1c2cccs2 271570a_100011217569_100011215356 [0,0,0,0,0,0|2,0,0]=2 56 B15R2.43 CCOc1ccccc1c2ccno2 34a_100000031527_100000210202 [0,0,0,0,0,0|3,1,0]=4 57 B15R2.43 CCOc1ccccc1c2ccoc2 271570a_100011217569_100011215275 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.43 CCOc1ccccc1c2ccoc2 271570a_100011218838_100000230754 [0,0,0,0,0,0|4,0,0]=4 59 B15R2.43 CCOc1ccccc1c2ccsc2 271570a_100011217569_100000738268 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.43 CCOc1ccccc1c2ccsc2 271570a_100011934443_100000230754 [0,0,0,0,0,0|4,0,0]=4 61 B15R2.43 CCOc1ccccc1c2ccsc2 34a_100011997965_100000210202 [0,0,0,0,0,0|4,0,0]=4 62 B15R2.43 CCOc1ccccc1c2ccsc2 7a_100011997965_100000210202 [0,0,0,0,0,0|4,0,0]=4 63 B15R2.43 CCOc1ccccc1c2ccsn2 271570a_100011217569_100009818082 [0,0,0,0,0,0|4,0,0]=4 64 B15R2.43 CCOc1ccccc1c2cnco2 271570a_100011217569_100020591547 [0,0,0,0,0,0|3,1,0]=4 65 B15R2.43 CCOc1ccccc1c2cncs2 271570a_100010231675_100000230754 [0,0,0,0,0,0|3,0,0]=3 66 B15R2.43 CCOc1ccccc1c2cncs2 271570a_100011217569_100011934649 [0,0,0,0,0,0|3,0,0]=3 67 B15R2.43 CCOc1ccccc1c2cscn2 271570a_100011217569_100000751502 [0,0,0,0,0,0|4,0,0]=4 68 B15R2.43 CCOc1ccccc1c2ncc[nH]2 271570a_100011217569_100025796157 [0,0,0,0,0,0|4,0,0]=4 69 B15R2.43 CCOc1ccccc1c2ncc[nH]2 271570a_100016988920_100000230754 [0,0,0,0,0,0|4,0,0]=4 70 B15R2.43 CCOc1ccccc1c2ncc[nH]2 34a_200000089398_100000210202 [0,0,0,0,0,0|4,0,0]=4 71 B15R2.43 CCOc1ccccc1c2ncco2 271570a_100011217569_100011787736 [0,0,0,0,0,0|3,1,0]=4 72 B15R2.43 CCOc1ccccc1c2nccs2 271570a_100011217569_100000211983 [0,0,0,0,0,0|3,0,0]=3 73 B15R2.43 CCOc1ccccc1c2ncns2 271570a_100011217569_100000693119 [0,0,0,0,0,0|4,0,0]=4 74 B15R2.43 CCOc1ccccc1c2nncs2 271570a_100011217569_100000739804 [0,0,0,0,0,0|4,0,0]=4 75 B15R2.43 CCOc1cccnc1c2ccco2 271570a_100000750936_100011597540 [0,0,0,0,0,0|3,1,0]=4 76 B15R2.43 CCOc1cccnc1c2cccs2 271570a_100000742291_100011597540 [0,0,0,0,0,0|3,0,0]=3 77 B15R2.43 CCOc1cccnc1c2cncs2 271570a_100010231675_100011597540 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.43 CCOc1ncccc1c2ccco2 271570a_100000047259_100009814098 [0,0,0,0,0,0|3,1,0]=4 79 B15R2.43 CCOc1ncccc1c2ccco2 271570a_100000750936_100011465154 [0,0,0,0,0,0|3,1,0]=4 80 B15R2.43 CCOc1ncccc1c2cccs2 271570a_100000047259_100011215356 [0,0,0,0,0,0|3,0,0]=3 81 B15R2.43 CCOc1ncccc1c2cccs2 271570a_100000742291_100011465154 [0,0,0,0,0,0|3,0,0]=3 82 B15R2.43 CCOc1ncccc1c2cncs2 271570a_100000047259_100011934649 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.43 CCOc1ncccc1c2cncs2 271570a_100010231675_100011465154 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.43 CCOc1ncccc1c2nccs2 271570a_100000047259_100000211983 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.43 CCOc1nccnc1c2cccs2 271570a_100000742291_200010128176 [0,0,0,0,0,0|4,0,0]=4 86 B15R2.43 CCSc1ccccc1c2c[nH]cn2 271570a_200000040582_100000756875 [0,0,0,0,0,0|4,0,0]=4 87 B15R2.43 CCSc1ccccc1c2cc[nH]c2 271570a_100000102155_100000230856 [0,0,0,0,0,0|4,0,0]=4 88 B15R2.43 CCSc1ccccc1c2cc[nH]n2 271570a_100000062414_100000230856 [0,0,0,0,0,0|4,0,0]=4 89 B15R2.43 CCSc1ccccc1c2cc[nH]n2 271570a_200000040582_100000062575 [0,0,0,0,0,0|4,0,0]=4 90 B15R2.43 CCSc1ccccc1c2cc[nH]n2 62a_100011216357_100000210202 [0,0,0,0,0,0|4,0,0]=4 91 B15R2.43 CCSc1ccccc1c2ccco2 271570a_100000750936_100000230856 [0,0,0,0,0,0|2,1,0]=3 92 B15R2.43 CCSc1ccccc1c2ccco2 271570a_200000040582_100009814098 [0,0,0,0,0,0|2,1,0]=3 93 B15R2.43 CCSc1ccccc1c2cccs2 271570a_100000742291_100000230856 [0,0,0,0,0,0|2,0,0]=2 94 B15R2.43 CCSc1ccccc1c2cccs2 271570a_200000040582_100011215356 [0,0,0,0,0,0|2,0,0]=2 95 B15R2.43 CCSc1ccccc1c2ccno2 62a_100000210202_100011218344 [0,0,0,0,0,0|3,1,0]=4 96 B15R2.43 CCSc1ccccc1c2ccno2 62a_100011218344_100000210202 [0,0,0,0,0,0|3,1,0]=4 97 B15R2.43 CCSc1ccccc1c2ccoc2 271570a_100011218838_100000230856 [0,0,0,0,0,0|4,0,0]=4 98 B15R2.43 CCSc1ccccc1c2ccoc2 271570a_200000040582_100011215275 [0,0,0,0,0,0|4,0,0]=4 99 B15R2.43 CCSc1ccccc1c2ccsc2 271570a_100011934443_100000230856 [0,0,0,0,0,0|4,0,0]=4 100 B15R2.43 CCSc1ccccc1c2ccsc2 271570a_200000040582_100000738268 [0,0,0,0,0,0|4,0,0]=4 101 B15R2.43 CCSc1ccccc1c2ccsn2 271570a_200000040582_100009818082 [0,0,0,0,0,0|4,0,0]=4 102 B15R2.43 CCSc1ccccc1c2cnco2 271570a_200000040582_100020591547 [0,0,0,0,0,0|3,1,0]=4 103 B15R2.43 CCSc1ccccc1c2cnco2 62a_100000210202_100009816723 [0,0,0,0,0,0|3,1,0]=4 104 B15R2.43 CCSc1ccccc1c2cnco2 62a_100009816723_100000210202 [0,0,0,0,0,0|3,1,0]=4 105 B15R2.43 CCSc1ccccc1c2cncs2 271570a_100010231675_100000230856 [0,0,0,0,0,0|3,0,0]=3 106 B15R2.43 CCSc1ccccc1c2cncs2 271570a_200000040582_100011934649 [0,0,0,0,0,0|3,0,0]=3 107 B15R2.43 CCSc1ccccc1c2cocn2 62a_100000210202_100010198669 [0,0,0,0,0,0|4,0,0]=4 108 B15R2.43 CCSc1ccccc1c2cocn2 62a_100010198669_100000210202 [0,0,0,0,0,0|4,0,0]=4 109 B15R2.43 CCSc1ccccc1c2cscn2 271570a_200000040582_100000751502 [0,0,0,0,0,0|4,0,0]=4 110 B15R2.43 CCSc1ccccc1c2ncc[nH]2 271570a_100016988920_100000230856 [0,0,0,0,0,0|4,0,0]=4 111 B15R2.43 CCSc1ccccc1c2ncc[nH]2 271570a_200000040582_100025796157 [0,0,0,0,0,0|4,0,0]=4 112 B15R2.43 CCSc1ccccc1c2ncc[nH]2 62a_100000210202_100011532729 [0,0,0,0,0,0|4,0,0]=4 113 B15R2.43 CCSc1ccccc1c2ncc[nH]2 62a_100011532729_100000210202 [0,0,0,0,0,0|4,0,0]=4 114 B15R2.43 CCSc1ccccc1c2ncco2 271570a_200000040582_100011787736 [0,0,0,0,0,0|3,1,0]=4 115 B15R2.43 CCSc1ccccc1c2ncco2 62a_100000210202_100010188011 [0,0,0,0,0,0|3,1,0]=4 116 B15R2.43 CCSc1ccccc1c2ncco2 62a_100010188011_100000210202 [0,0,0,0,0,0|3,1,0]=4 117 B15R2.43 CCSc1ccccc1c2nccs2 271570a_200000040582_100000211983 [0,0,0,0,0,0|3,0,0]=3 118 B15R2.43 CCSc1ccccc1c2nccs2 62a_100000210202_103496549459 [0,0,0,0,0,0|3,0,0]=3 119 B15R2.43 CCSc1ccccc1c2nccs2 62a_103496549459_100000210202 [0,0,0,0,0,0|3,0,0]=3 120 B15R2.43 CCSc1ccccc1c2ncns2 271570a_200000040582_100000693119 [0,0,0,0,0,0|4,0,0]=4 121 B15R2.43 CCSc1ccccc1c2nncs2 271570a_200000040582_100000739804 [0,0,0,0,0,0|4,0,0]=4 122 B15R2.43 CCSc1ccccc1n2cccc2 62a_100000210202_200000178846 [0,0,0,0,0,0|4,0,0]=4 123 B15R2.43 CCSc1ccccc1n2cccc2 62a_200000178846_100000210202 [0,0,0,0,0,0|4,0,0]=4 124 B15R2.43 CCSc1ccccc1n2cccn2 62a_100011313175_100000210202 [0,0,0,0,0,0|4,0,0]=4 125 B15R2.43 CNCc1ccccc1C2=CCCC2 271570a_100000089523_100000184654 [0,0,0,0,0,0|1,0,2]=3 126 B15R2.43 CNCc1ccccc1C2=CCOC2 271570a_100009872500_100000184654 [0,0,0,0,0,0|2,0,1]=3 127 B15R2.43 CNCc1ccccc1C2=COCC2 271570a_100000118173_100000184654 [0,0,0,0,0,0|2,0,1]=3 128 B15R2.43 CNCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000184654 [0,0,0,0,0,0|2,0,0]=2 129 B15R2.43 CNCc1ccccc1c2cc[nH]n2 26a_100102657272_100000055191 [0,0,0,0,0,0|2,0,0]=2 130 B15R2.43 CNCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000184654 [0,0,0,0,0,0|2,0,0]=2 131 B15R2.43 CNCc1ccccc1c2ccco2 207a_100102657272_100011217036 [0,0,0,0,0,0|0,1,0]=1 132 B15R2.43 CNCc1ccccc1c2ccco2 270004a_106832991635_100011217036 [0,0,0,0,0,0|0,1,0]=1 133 B15R2.43 CNCc1ccccc1c2ccco2 271570a_100000750936_100000184654 [0,0,0,0,0,0|0,1,0]=1 134 B15R2.43 CNCc1ccccc1c2ccco2 34a_100161156520_200000210301 [0,0,0,0,0,0|0,1,0]=1 135 B15R2.43 CNCc1ccccc1c2cccs2 207a_100102657272_200011191916 [0,0,0,0,0,0|0,0,0]=0 136 B15R2.43 CNCc1ccccc1c2cccs2 270004a_106832991635_200011191916 [0,0,0,0,0,0|0,0,0]=0 137 B15R2.43 CNCc1ccccc1c2cccs2 271570a_100000742291_100000184654 [0,0,0,0,0,0|0,0,0]=0 138 B15R2.43 CNCc1ccccc1c2cccs2 34a_100016995785_200000210301 [0,0,0,0,0,0|0,0,0]=0 139 B15R2.43 CNCc1ccccc1c2ccoc2 271570a_100011218838_100000184654 [0,0,0,0,0,0|2,0,0]=2 140 B15R2.43 CNCc1ccccc1c2ccsc2 207a_100102657272_200011217932 [0,0,0,0,0,0|2,0,0]=2 141 B15R2.43 CNCc1ccccc1c2ccsc2 26a_100102657272_100011997965 [0,0,0,0,0,0|2,0,0]=2 142 B15R2.43 CNCc1ccccc1c2ccsc2 270004a_106832991635_200011217932 [0,0,0,0,0,0|2,0,0]=2 143 B15R2.43 CNCc1ccccc1c2ccsc2 271570a_100011934443_100000184654 [0,0,0,0,0,0|2,0,0]=2 144 B15R2.43 CNCc1ccccc1c2cn[nH]c2 271570a_100000041997_100000184654 [0,0,0,0,0,0|3,0,0]=3 145 B15R2.43 CNCc1ccccc1c2cncs2 271570a_100010231675_100000184654 [0,0,0,0,0,0|1,0,0]=1 146 B15R2.43 CNCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000184654 [0,0,0,0,0,0|2,0,0]=2 147 B15R2.43 CNCc1ccccc1c2nccs2 207a_100102657272_100000068343 [0,0,0,0,0,0|1,0,0]=1 148 B15R2.43 CNCc1ccccc1c2nccs2 270004a_106832991635_100000068343 [0,0,0,0,0,0|1,0,0]=1 149 B15R2.43 CNCc1ccccc1n2cccc2 207a_100102657272_100000050373 [0,0,0,0,0,0|2,0,0]=2 150 B15R2.43 CNCc1ccccc1n2cccc2 270004a_106832991635_100000050373 [0,0,0,0,0,0|2,0,0]=2 151 B15R2.43 CNCc1ccccc1n2cccn2 207a_100102657272_100102946334 [0,0,0,0,0,0|2,0,0]=2 152 B15R2.43 CNCc1ccccc1n2cccn2 270004a_106832991635_100102946334 [0,0,0,0,0,0|2,0,0]=2 153 B15R2.43 CNCc1ccccc1n2cccn2 34a_100000743937_200000210301 [0,0,0,0,0,0|2,0,0]=2 154 B15R2.43 CNCc1ccccc1n2ccnc2 207a_100102657272_100000748775 [0,0,0,0,0,0|3,0,0]=3 155 B15R2.43 CNCc1ccccc1n2ccnc2 270004a_106832991635_100000748775 [0,0,0,0,0,0|3,0,0]=3 156 B15R2.43 CNCc1ccccc1n2cncn2 207a_100102657272_100000744974 [0,0,0,0,0,0|3,0,0]=3 157 B15R2.43 CNCc1ccccc1n2cncn2 2230a_100011233637_200000210301 [0,0,0,0,0,0|3,0,0]=3 158 B15R2.43 CNCc1ccccc1n2cncn2 2230a_106832991635_200011247420 [0,0,0,0,0,0|3,0,0]=3 159 B15R2.43 CNCc1ccccc1n2cncn2 270004a_106832991635_100000744974 [0,0,0,0,0,0|3,0,0]=3 160 B15R2.43 CNCc1ccccc1n2cncn2 34a_100102657272_200011247420 [0,0,0,0,0,0|3,0,0]=3 161 B15R2.43 CNCc1ccccc1n2cncn2 7a_106832991635_200011247420 [0,0,0,0,0,0|3,0,0]=3 162 B15R2.43 CNCc1cccnc1C2=CCCC2 271570a_100000089523_103496529121 [0,0,0,0,0,0|2,0,2]=4 163 B15R2.43 CNCc1cccnc1C2=CCOC2 271570a_100009872500_103496529121 [0,0,0,0,0,0|3,0,1]=4 164 B15R2.43 CNCc1cccnc1C2=COCC2 271570a_100000118173_103496529121 [0,0,0,0,0,0|3,0,1]=4 165 B15R2.43 CNCc1cccnc1c2cc[nH]c2 271570a_100000102155_103496529121 [0,0,0,0,0,0|3,0,0]=3 166 B15R2.43 CNCc1cccnc1c2cc[nH]n2 271570a_100000062414_103496529121 [0,0,0,0,0,0|3,0,0]=3 167 B15R2.43 CNCc1cccnc1c2ccco2 271570a_100000750936_103496529121 [0,0,0,0,0,0|1,1,0]=2 168 B15R2.43 CNCc1cccnc1c2cccs2 271570a_100000742291_103496529121 [0,0,0,0,0,0|1,0,0]=1 169 B15R2.43 CNCc1cccnc1c2ccoc2 271570a_100011218838_103496529121 [0,0,0,0,0,0|3,0,0]=3 170 B15R2.43 CNCc1cccnc1c2ccsc2 271570a_100011934443_103496529121 [0,0,0,0,0,0|3,0,0]=3 171 B15R2.43 CNCc1cccnc1c2cn[nH]c2 271570a_100000041997_103496529121 [0,0,0,0,0,0|4,0,0]=4 172 B15R2.43 CNCc1cccnc1c2cncs2 271570a_100010231675_103496529121 [0,0,0,0,0,0|2,0,0]=2 173 B15R2.43 CNCc1cccnc1c2ncc[nH]2 271570a_100016988920_103496529121 [0,0,0,0,0,0|3,0,0]=3 174 B15R2.43 CNCc1cccnc1n2cncn2 2230a_100000739658_200000210301 [0,0,0,0,0,0|4,0,0]=4 175 B15R2.43 COCc1ccccc1C2=CCCC2 271570a_100000089523_100011493684 [0,0,0,0,0,0|2,0,2]=4 176 B15R2.43 COCc1ccccc1C2=CCOC2 271570a_100009872500_100011493684 [0,0,0,0,0,0|3,0,1]=4 177 B15R2.43 COCc1ccccc1C2=COCC2 271570a_100000118173_100011493684 [0,0,0,0,0,0|3,0,1]=4 178 B15R2.43 COCc1ccccc1c2c[nH]cn2 271570a_100011216666_100000756875 [0,0,0,0,0,0|3,0,0]=3 179 B15R2.43 COCc1ccccc1c2cc[nH]c2 271570a_100000102155_100011493684 [0,0,0,0,0,0|3,0,0]=3 180 B15R2.43 COCc1ccccc1c2cc[nH]n2 271570a_100000062414_100011493684 [0,0,0,0,0,0|3,0,0]=3 181 B15R2.43 COCc1ccccc1c2cc[nH]n2 271570a_100011216666_100000062575 [0,0,0,0,0,0|3,0,0]=3 182 B15R2.43 COCc1ccccc1c2ccco2 271570a_100000750936_100011493684 [0,0,0,0,0,0|1,1,0]=2 183 B15R2.43 COCc1ccccc1c2ccco2 271570a_100011216666_100009814098 [0,0,0,0,0,0|1,1,0]=2 184 B15R2.43 COCc1ccccc1c2ccco2 34a_100000067684_200000210301 [0,0,0,0,0,0|1,1,0]=2 185 B15R2.43 COCc1ccccc1c2ccco2 7a_100000067684_200000210301 [0,0,0,0,0,0|1,1,0]=2 186 B15R2.43 COCc1ccccc1c2cccs2 271570a_100000742291_100011493684 [0,0,0,0,0,0|1,0,0]=1 187 B15R2.43 COCc1ccccc1c2cccs2 271570a_100011216666_100011215356 [0,0,0,0,0,0|1,0,0]=1 188 B15R2.43 COCc1ccccc1c2cccs2 34a_100000067680_200000210301 [0,0,0,0,0,0|1,0,0]=1 189 B15R2.43 COCc1ccccc1c2cccs2 7a_100000067680_200000210301 [0,0,0,0,0,0|1,0,0]=1 190 B15R2.43 COCc1ccccc1c2ccoc2 271570a_100011216666_100011215275 [0,0,0,0,0,0|3,0,0]=3 191 B15R2.43 COCc1ccccc1c2ccoc2 271570a_100011218838_100011493684 [0,0,0,0,0,0|3,0,0]=3 192 B15R2.43 COCc1ccccc1c2ccsc2 271570a_100011216666_100000738268 [0,0,0,0,0,0|3,0,0]=3 193 B15R2.43 COCc1ccccc1c2ccsc2 271570a_100011934443_100011493684 [0,0,0,0,0,0|3,0,0]=3 194 B15R2.43 COCc1ccccc1c2ccsn2 271570a_100011216666_100009818082 [0,0,0,0,0,0|3,0,0]=3 195 B15R2.43 COCc1ccccc1c2cn[nH]c2 271570a_100000041997_100011493684 [0,0,0,0,0,0|4,0,0]=4 196 B15R2.43 COCc1ccccc1c2cn[nH]c2 271570a_100011216666_100000238712 [0,0,0,0,0,0|4,0,0]=4 197 B15R2.43 COCc1ccccc1c2cnco2 271570a_100011216666_100020591547 [0,0,0,0,0,0|2,1,0]=3 198 B15R2.43 COCc1ccccc1c2cncs2 271570a_100010231675_100011493684 [0,0,0,0,0,0|2,0,0]=2 199 B15R2.43 COCc1ccccc1c2cncs2 271570a_100011216666_100011934649 [0,0,0,0,0,0|2,0,0]=2 200 B15R2.43 COCc1ccccc1c2cnoc2 271570a_100011216666_100009815712 [0,0,0,0,0,0|4,0,0]=4 201 B15R2.43 COCc1ccccc1c2cnsc2 271570a_100011216666_100009815736 [0,0,0,0,0,0|4,0,0]=4 202 B15R2.43 COCc1ccccc1c2cscn2 271570a_100011216666_100000751502 [0,0,0,0,0,0|3,0,0]=3 203 B15R2.43 COCc1ccccc1c2nc[nH]n2 271570a_100011216666_100000761765 [0,0,0,0,0,0|4,0,0]=4 204 B15R2.43 COCc1ccccc1c2ncc[nH]2 271570a_100011216666_100025796157 [0,0,0,0,0,0|3,0,0]=3 205 B15R2.43 COCc1ccccc1c2ncc[nH]2 271570a_100016988920_100011493684 [0,0,0,0,0,0|3,0,0]=3 206 B15R2.43 COCc1ccccc1c2ncco2 271570a_100011216666_100011787736 [0,0,0,0,0,0|2,1,0]=3 207 B15R2.43 COCc1ccccc1c2nccs2 271570a_100011216666_100000211983 [0,0,0,0,0,0|2,0,0]=2 208 B15R2.43 COCc1ccccc1c2ncns2 271570a_100011216666_100000693119 [0,0,0,0,0,0|3,0,0]=3 209 B15R2.43 COCc1ccccc1c2nncs2 271570a_100011216666_100000739804 [0,0,0,0,0,0|3,0,0]=3 210 B15R2.43 COCc1ccccc1n2cccc2 34a_200000179416_200000210301 [0,0,0,0,0,0|3,0,0]=3 211 B15R2.43 COCc1ccccc1n2cccc2 7a_200000179416_200000210301 [0,0,0,0,0,0|3,0,0]=3 212 B15R2.43 COCc1ccccc1n2cccn2 34a_200011247278_200000210301 [0,0,0,0,0,0|3,0,0]=3 213 B15R2.43 COCc1ccccc1n2cccn2 7a_200011247278_200000210301 [0,0,0,0,0,0|3,0,0]=3 214 B15R2.43 COCc1ccccc1n2cncn2 34a_100138415774_200011247420 [0,0,0,0,0,0|4,0,0]=4 215 B15R2.43 CSCc1ccccc1C2=CCCC2 271570a_100000089523_100000148299 [0,0,0,0,0,0|2,0,2]=4 216 B15R2.43 CSCc1ccccc1C2=CCOC2 271570a_100009872500_100000148299 [0,0,0,0,0,0|3,0,1]=4 217 B15R2.43 CSCc1ccccc1C2=COCC2 271570a_100000118173_100000148299 [0,0,0,0,0,0|3,0,1]=4 218 B15R2.43 CSCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000148299 [0,0,0,0,0,0|3,0,0]=3 219 B15R2.43 CSCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000148299 [0,0,0,0,0,0|3,0,0]=3 220 B15R2.43 CSCc1ccccc1c2ccco2 271570a_100000750936_100000148299 [0,0,0,0,0,0|1,1,0]=2 221 B15R2.43 CSCc1ccccc1c2cccs2 271570a_100000742291_100000148299 [0,0,0,0,0,0|1,0,0]=1 222 B15R2.43 CSCc1ccccc1c2ccoc2 271570a_100011218838_100000148299 [0,0,0,0,0,0|3,0,0]=3 223 B15R2.43 CSCc1ccccc1c2ccsc2 271570a_100011934443_100000148299 [0,0,0,0,0,0|3,0,0]=3 224 B15R2.43 CSCc1ccccc1c2cn[nH]c2 271570a_100000041997_100000148299 [0,0,0,0,0,0|4,0,0]=4 225 B15R2.43 CSCc1ccccc1c2cncs2 271570a_100010231675_100000148299 [0,0,0,0,0,0|2,0,0]=2 226 B15R2.43 CSCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000148299 [0,0,0,0,0,0|3,0,0]=3 227 B15R2.43 CSCc1ccccc1n2cncn2 62a_200000210301_200011247420 [0,0,0,0,0,0|4,0,0]=4 228 B15R2.43 CSCc1ccccc1n2cncn2 62a_200011247420_200000210301 [0,0,0,0,0,0|4,0,0]=4 229 B15R2.43 FCNc1ccccc1c2ccco2 34a_200020605208_100015361967 [0,0,0,0,0,0|3,1,0]=4 230 B15R2.43 FCSc1ccccc1c2nccs2 62a_100015361967_103496549459 [0,0,0,0,0,0|4,0,0]=4 231 B15R2.43 FCSc1ccccc1c2nccs2 62a_103496549459_100015361967 [0,0,0,0,0,0|4,0,0]=4 232 B15R2.43 N#CCc1ccccc1c2c[nH]cn2 271570a_100000066961_100000756875 [0,0,0,0,0,0|4,0,0]=4 233 B15R2.43 N#CCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000033512 [0,0,0,0,0,0|4,0,0]=4 234 B15R2.43 N#CCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000033512 [0,0,0,0,0,0|4,0,0]=4 235 B15R2.43 N#CCc1ccccc1c2cc[nH]n2 271570a_100000066961_100000062575 [0,0,0,0,0,0|4,0,0]=4 236 B15R2.43 N#CCc1ccccc1c2ccco2 271570a_100000066961_100009814098 [0,0,0,0,0,0|2,1,0]=3 237 B15R2.43 N#CCc1ccccc1c2ccco2 271570a_100000750936_100000033512 [0,0,0,0,0,0|2,1,0]=3 238 B15R2.43 N#CCc1ccccc1c2cccs2 271570a_100000066961_100011215356 [0,0,0,0,0,0|2,0,0]=2 239 B15R2.43 N#CCc1ccccc1c2cccs2 271570a_100000742291_100000033512 [0,0,0,0,0,0|2,0,0]=2 240 B15R2.43 N#CCc1ccccc1c2ccoc2 271570a_100000066961_100011215275 [0,0,0,0,0,0|4,0,0]=4 241 B15R2.43 N#CCc1ccccc1c2ccoc2 271570a_100011218838_100000033512 [0,0,0,0,0,0|4,0,0]=4 242 B15R2.43 N#CCc1ccccc1c2ccsc2 271570a_100000066961_100000738268 [0,0,0,0,0,0|4,0,0]=4 243 B15R2.43 N#CCc1ccccc1c2ccsc2 271570a_100011934443_100000033512 [0,0,0,0,0,0|4,0,0]=4 244 B15R2.43 N#CCc1ccccc1c2ccsn2 271570a_100000066961_100009818082 [0,0,0,0,0,0|4,0,0]=4 245 B15R2.43 N#CCc1ccccc1c2cnco2 271570a_100000066961_100020591547 [0,0,0,0,0,0|3,1,0]=4 246 B15R2.43 N#CCc1ccccc1c2cncs2 271570a_100000066961_100011934649 [0,0,0,0,0,0|3,0,0]=3 247 B15R2.43 N#CCc1ccccc1c2cncs2 271570a_100010231675_100000033512 [0,0,0,0,0,0|3,0,0]=3 248 B15R2.43 N#CCc1ccccc1c2cscn2 271570a_100000066961_100000751502 [0,0,0,0,0,0|4,0,0]=4 249 B15R2.43 N#CCc1ccccc1c2ncc[nH]2 271570a_100000066961_100025796157 [0,0,0,0,0,0|4,0,0]=4 250 B15R2.43 N#CCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000033512 [0,0,0,0,0,0|4,0,0]=4 251 B15R2.43 N#CCc1ccccc1c2ncco2 271570a_100000066961_100011787736 [0,0,0,0,0,0|3,1,0]=4 252 B15R2.43 N#CCc1ccccc1c2nccs2 271570a_100000066961_100000211983 [0,0,0,0,0,0|3,0,0]=3 253 B15R2.43 N#CCc1ccccc1c2ncns2 271570a_100000066961_100000693119 [0,0,0,0,0,0|4,0,0]=4 254 B15R2.43 N#CCc1ccccc1c2nncs2 271570a_100000066961_100000739804 [0,0,0,0,0,0|4,0,0]=4 255 B15R2.43 N#CCc1cccnc1c2ccco2 271570a_100000750936_100000096391 [0,0,0,0,0,0|3,1,0]=4 256 B15R2.43 N#CCc1cccnc1c2cccs2 271570a_100000742291_100000096391 [0,0,0,0,0,0|3,0,0]=3 257 B15R2.43 N#CCc1cccnc1c2cncs2 271570a_100010231675_100000096391 [0,0,0,0,0,0|4,0,0]=4 258 B15R2.43 N#CCc1ncccc1c2ccco2 271570a_100000750936_100011824415 [0,0,0,0,0,0|3,1,0]=4 259 B15R2.43 N#CCc1ncccc1c2cccs2 271570a_100000742291_100011824415 [0,0,0,0,0,0|3,0,0]=3 260 B15R2.43 N#CCc1ncccc1c2cncs2 271570a_100010231675_100011824415 [0,0,0,0,0,0|4,0,0]=4 261 B15R2.43 NCCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000747383 [0,0,0,0,0,0|4,0,0]=4 262 B15R2.43 NCCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000747383 [0,0,0,0,0,0|4,0,0]=4 263 B15R2.43 NCCc1ccccc1c2ccco2 271570a_100000750936_100000747383 [0,0,0,0,0,0|2,1,0]=3 264 B15R2.43 NCCc1ccccc1c2cccs2 271570a_100000742291_100000747383 [0,0,0,0,0,0|2,0,0]=2 265 B15R2.43 NCCc1ccccc1c2ccoc2 271570a_100011218838_100000747383 [0,0,0,0,0,0|4,0,0]=4 266 B15R2.43 NCCc1ccccc1c2ccsc2 271570a_100011934443_100000747383 [0,0,0,0,0,0|4,0,0]=4 267 B15R2.43 NCCc1ccccc1c2cncs2 271570a_100010231675_100000747383 [0,0,0,0,0,0|3,0,0]=3 268 B15R2.43 NCCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000747383 [0,0,0,0,0,0|4,0,0]=4 269 B15R2.43 NNCc1ccccc1C2=CCCC2 271570a_100000089523_200016993956 [0,0,0,0,0,0|2,0,2]=4 270 B15R2.43 NNCc1ccccc1C2=CCOC2 271570a_100009872500_200016993956 [0,0,0,0,0,0|3,0,1]=4 271 B15R2.43 NNCc1ccccc1C2=COCC2 271570a_100000118173_200016993956 [0,0,0,0,0,0|3,0,1]=4 272 B15R2.43 NNCc1ccccc1c2cc[nH]c2 271570a_100000102155_200016993956 [0,0,0,0,0,0|3,0,0]=3 273 B15R2.43 NNCc1ccccc1c2cc[nH]n2 271570a_100000062414_200016993956 [0,0,0,0,0,0|3,0,0]=3 274 B15R2.43 NNCc1ccccc1c2ccco2 271570a_100000750936_200016993956 [0,0,0,0,0,0|1,1,0]=2 275 B15R2.43 NNCc1ccccc1c2cccs2 271570a_100000742291_200016993956 [0,0,0,0,0,0|1,0,0]=1 276 B15R2.43 NNCc1ccccc1c2ccoc2 271570a_100011218838_200016993956 [0,0,0,0,0,0|3,0,0]=3 277 B15R2.43 NNCc1ccccc1c2ccsc2 271570a_100011934443_200016993956 [0,0,0,0,0,0|3,0,0]=3 278 B15R2.43 NNCc1ccccc1c2cn[nH]c2 271570a_100000041997_200016993956 [0,0,0,0,0,0|4,0,0]=4 279 B15R2.43 NNCc1ccccc1c2cncs2 271570a_100010231675_200016993956 [0,0,0,0,0,0|2,0,0]=2 280 B15R2.43 NNCc1ccccc1c2ncc[nH]2 271570a_100016988920_200016993956 [0,0,0,0,0,0|3,0,0]=3 281 B15R2.43 O=CNc1ccccc1c2ccco2 271570a_200000040256_100009814098 [0,0,0,0,0,0|3,1,0]=4 282 B15R2.43 O=CNc1ccccc1c2cccs2 271570a_200000040256_100011215356 [0,0,0,0,0,0|3,0,0]=3 283 B15R2.43 O=CNc1ccccc1c2cncs2 271570a_200000040256_100011934649 [0,0,0,0,0,0|4,0,0]=4 284 B15R2.43 O=CNc1ccccc1c2nccs2 271570a_200000040256_100000211983 [0,0,0,0,0,0|4,0,0]=4 285 B15R2.43 OCCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000731337 [0,0,0,0,0,0|4,0,0]=4 286 B15R2.43 OCCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000731337 [0,0,0,0,0,0|4,0,0]=4 287 B15R2.43 OCCc1ccccc1c2ccco2 271570a_100000750936_100000731337 [0,0,0,0,0,0|2,1,0]=3 288 B15R2.43 OCCc1ccccc1c2cccs2 271570a_100000742291_100000731337 [0,0,0,0,0,0|2,0,0]=2 289 B15R2.43 OCCc1ccccc1c2ccoc2 271570a_100011218838_100000731337 [0,0,0,0,0,0|4,0,0]=4 290 B15R2.43 OCCc1ccccc1c2ccsc2 271570a_100011934443_100000731337 [0,0,0,0,0,0|4,0,0]=4 291 B15R2.43 OCCc1ccccc1c2cncs2 271570a_100010231675_100000731337 [0,0,0,0,0,0|3,0,0]=3 292 B15R2.43 OCCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000731337 [0,0,0,0,0,0|4,0,0]=4 293 B15R2.43 [13CH3]NCc1ccccc1c2ccco2 34a_100161156520_200025704644 [0,0,0,0,0,0|0,1,0]=1 294 B15R2.43 [13CH3]NCc1ccccc1c2cccs2 34a_100016995785_200025704644 [0,0,0,0,0,0|0,0,0]=0 295 B15R2.43 [13CH3]NCc1ccccc1n2cccn2 34a_100000743937_200025704644 [0,0,0,0,0,0|2,0,0]=2 296 B15R2.43 [13CH3]NCc1ccccc1n2cncn2 2230a_100011233637_200025704644 [0,0,0,0,0,0|3,0,0]=3 297 B15R2.43 [13CH3]NCc1cccnc1n2cncn2 2230a_100000739658_200025704644 [0,0,0,0,0,0|4,0,0]=4 298 B15R2.43 [13CH3]OCc1ccccc1c2ccco2 34a_100000067684_200025704644 [0,0,0,0,0,0|1,1,0]=2 299 B15R2.43 [13CH3]OCc1ccccc1c2ccco2 7a_100000067684_200025704644 [0,0,0,0,0,0|1,1,0]=2 300 B15R2.43 [13CH3]OCc1ccccc1c2cccs2 34a_100000067680_200025704644 [0,0,0,0,0,0|1,0,0]=1 301 B15R2.43 [13CH3]OCc1ccccc1c2cccs2 7a_100000067680_200025704644 [0,0,0,0,0,0|1,0,0]=1 302 B15R2.43 [13CH3]OCc1ccccc1n2cccc2 34a_200000179416_200025704644 [0,0,0,0,0,0|3,0,0]=3 303 B15R2.43 [13CH3]OCc1ccccc1n2cccc2 7a_200000179416_200025704644 [0,0,0,0,0,0|3,0,0]=3 304 B15R2.43 [13CH3]OCc1ccccc1n2cccn2 34a_200011247278_200025704644 [0,0,0,0,0,0|3,0,0]=3 305 B15R2.43 [13CH3]OCc1ccccc1n2cccn2 7a_200011247278_200025704644 [0,0,0,0,0,0|3,0,0]=3 306 B15R2.43 [13CH3]SCc1ccccc1n2cncn2 62a_200011247420_200025704644 [0,0,0,0,0,0|4,0,0]=4 307 B15R2.43 [13CH3]SCc1ccccc1n2cncn2 62a_200025704644_200011247420 [0,0,0,0,0,0|4,0,0]=4 308 B15R2.43 [N-]=[N+]=Nc1ccccc1c2ccco2 271570a_100000750936_100000762926 [0,0,0,0,0,0|2,1,1]=4 309 B15R2.43 [N-]=[N+]=Nc1ccccc1c2cccs2 271570a_100000742291_100000762926 [0,0,0,0,0,0|2,0,1]=3 310 B15R2.43 [N-]=[N+]=Nc1ccccc1c2cncs2 271570a_100010231675_100000762926 [0,0,0,0,0,0|3,0,1]=4 311 B15R2.43 [N-]=[N+]=Nc1ncccc1c2cccs2 271570a_100000742291_100012787798 [0,0,0,0,0,0|3,0,1]=4 312 B14R2.98 C#Cc1ccccc1c2ccco2 271570a_100000099761_100009814098 [1,0,0,0,0,0|0,1,2]=4 313 B14R2.98 C#Cc1ccccc1c2cccs2 271570a_100000099761_100011215356 [1,0,0,0,0,0|0,0,2]=3 314 B14R2.98 C#Cc1ccccc1c2cncs2 271570a_100000099761_100011934649 [1,0,0,0,0,0|1,0,2]=4 315 B14R2.98 C#Cc1ccccc1c2nccs2 271570a_100000099761_100000211983 [1,0,0,0,0,0|1,0,2]=4 316 B14R2.98 C=Cc1ccccc1c2ccco2 271570a_100000037480_100009814098 [1,0,0,0,0,0|0,1,2]=4 317 B14R2.98 C=Cc1ccccc1c2cccs2 271570a_100000037480_100011215356 [1,0,0,0,0,0|0,0,2]=3 318 B14R2.98 C=Cc1ccccc1c2cncs2 271570a_100000037480_100011934649 [1,0,0,0,0,0|1,0,2]=4 319 B14R2.98 C=Cc1ccccc1c2nccs2 271570a_100000037480_100000211983 [1,0,0,0,0,0|1,0,2]=4 320 B14R2.98 C=Cc1ccccc1c2nccs2 271570a_100011290941_103496549459 [1,0,0,0,0,0|1,0,2]=4 321 B14R2.98 CCc1ccccc1C2=CCCC2 271570a_100000089523_100011215823 [1,0,0,0,0,0|1,0,2]=4 322 B14R2.98 CCc1ccccc1C2=CCOC2 271570a_100009872500_100011215823 [1,0,0,0,0,0|2,0,1]=4 323 B14R2.98 CCc1ccccc1C2=COCC2 271570a_100000118173_100011215823 [1,0,0,0,0,0|2,0,1]=4 324 B14R2.98 CCc1ccccc1c2c[nH]cn2 271570a_100011216252_100000756875 [1,0,0,0,0,0|2,0,0]=3 325 B14R2.98 CCc1ccccc1c2cc[nH]c2 271570a_100000102155_100011215823 [1,0,0,0,0,0|2,0,0]=3 326 B14R2.98 CCc1ccccc1c2cc[nH]n2 271570a_100000062414_100011215823 [1,0,0,0,0,0|2,0,0]=3 327 B14R2.98 CCc1ccccc1c2cc[nH]n2 271570a_100011216252_100000062575 [1,0,0,0,0,0|2,0,0]=3 328 B14R2.98 CCc1ccccc1c2ccco2 271570a_100000750936_100011215823 [1,0,0,0,0,0|0,1,0]=2 329 B14R2.98 CCc1ccccc1c2ccco2 271570a_100011216252_100009814098 [1,0,0,0,0,0|0,1,0]=2 330 B14R2.98 CCc1ccccc1c2cccs2 271570a_100000742291_100011215823 [1,0,0,0,0,0|0,0,0]=1 331 B14R2.98 CCc1ccccc1c2cccs2 271570a_100011216252_100011215356 [1,0,0,0,0,0|0,0,0]=1 332 B14R2.98 CCc1ccccc1c2ccoc2 271570a_100011216252_100011215275 [1,0,0,0,0,0|2,0,0]=3 333 B14R2.98 CCc1ccccc1c2ccoc2 271570a_100011218838_100011215823 [1,0,0,0,0,0|2,0,0]=3 334 B14R2.98 CCc1ccccc1c2ccsc2 271570a_100011216252_100000738268 [1,0,0,0,0,0|2,0,0]=3 335 B14R2.98 CCc1ccccc1c2ccsc2 271570a_100011934443_100011215823 [1,0,0,0,0,0|2,0,0]=3 336 B14R2.98 CCc1ccccc1c2ccsn2 271570a_100011216252_100009818082 [1,0,0,0,0,0|2,0,0]=3 337 B14R2.98 CCc1ccccc1c2cn[nH]c2 271570a_100000041997_100011215823 [1,0,0,0,0,0|3,0,0]=4 338 B14R2.98 CCc1ccccc1c2cn[nH]c2 271570a_100011216252_100000238712 [1,0,0,0,0,0|3,0,0]=4 339 B14R2.98 CCc1ccccc1c2cnco2 271570a_100011216252_100020591547 [1,0,0,0,0,0|1,1,0]=3 340 B14R2.98 CCc1ccccc1c2cncs2 271570a_100010231675_100011215823 [1,0,0,0,0,0|1,0,0]=2 341 B14R2.98 CCc1ccccc1c2cncs2 271570a_100011216252_100011934649 [1,0,0,0,0,0|1,0,0]=2 342 B14R2.98 CCc1ccccc1c2cnoc2 271570a_100011216252_100009815712 [1,0,0,0,0,0|3,0,0]=4 343 B14R2.98 CCc1ccccc1c2cnsc2 271570a_100011216252_100009815736 [1,0,0,0,0,0|3,0,0]=4 344 B14R2.98 CCc1ccccc1c2cscn2 271570a_100011216252_100000751502 [1,0,0,0,0,0|2,0,0]=3 345 B14R2.98 CCc1ccccc1c2nc[nH]n2 271570a_100011216252_100000761765 [1,0,0,0,0,0|3,0,0]=4 346 B14R2.98 CCc1ccccc1c2ncc[nH]2 271570a_100011216252_100025796157 [1,0,0,0,0,0|2,0,0]=3 347 B14R2.98 CCc1ccccc1c2ncc[nH]2 271570a_100016988920_100011215823 [1,0,0,0,0,0|2,0,0]=3 348 B14R2.98 CCc1ccccc1c2ncco2 271570a_100011216252_100011787736 [1,0,0,0,0,0|1,1,0]=3 349 B14R2.98 CCc1ccccc1c2nccs2 271570a_100011216252_100000211983 [1,0,0,0,0,0|1,0,0]=2 350 B14R2.98 CCc1ccccc1c2ncns2 271570a_100011216252_100000693119 [1,0,0,0,0,0|2,0,0]=3 351 B14R2.98 CCc1ccccc1c2nncs2 271570a_100011216252_100000739804 [1,0,0,0,0,0|2,0,0]=3 352 B14R2.98 CCc1ccncc1c2cc[nH]c2 271570a_100000102155_100009819861 [1,0,0,0,0,0|3,0,0]=4 353 B14R2.98 CCc1ccncc1c2cc[nH]n2 271570a_100000062414_100009819861 [1,0,0,0,0,0|3,0,0]=4 354 B14R2.98 CCc1ccncc1c2ccco2 271570a_100000750936_100009819861 [1,0,0,0,0,0|1,1,0]=3 355 B14R2.98 CCc1ccncc1c2cccs2 271570a_100000742291_100009819861 [1,0,0,0,0,0|1,0,0]=2 356 B14R2.98 CCc1ccncc1c2ccoc2 271570a_100011218838_100009819861 [1,0,0,0,0,0|3,0,0]=4 357 B14R2.98 CCc1ccncc1c2ccsc2 271570a_100011934443_100009819861 [1,0,0,0,0,0|3,0,0]=4 358 B14R2.98 CCc1ccncc1c2cncs2 271570a_100010231675_100009819861 [1,0,0,0,0,0|2,0,0]=3 359 B14R2.98 CCc1ccncc1c2ncc[nH]2 271570a_100016988920_100009819861 [1,0,0,0,0,0|3,0,0]=4 360 B14R2.98 CCc1cnccc1c2cc[nH]c2 271570a_100000102155_100025704421 [1,0,0,0,0,0|3,0,0]=4 361 B14R2.98 CCc1cnccc1c2cc[nH]n2 271570a_100000062414_100025704421 [1,0,0,0,0,0|3,0,0]=4 362 B14R2.98 CCc1cnccc1c2ccco2 271570a_100000750936_100025704421 [1,0,0,0,0,0|1,1,0]=3 363 B14R2.98 CCc1cnccc1c2cccs2 271570a_100000742291_100025704421 [1,0,0,0,0,0|1,0,0]=2 364 B14R2.98 CCc1cnccc1c2ccoc2 271570a_100011218838_100025704421 [1,0,0,0,0,0|3,0,0]=4 365 B14R2.98 CCc1cnccc1c2ccsc2 271570a_100011934443_100025704421 [1,0,0,0,0,0|3,0,0]=4 366 B14R2.98 CCc1cnccc1c2cncs2 271570a_100010231675_100025704421 [1,0,0,0,0,0|2,0,0]=3 367 B14R2.98 CCc1cnccc1c2ncc[nH]2 271570a_100016988920_100025704421 [1,0,0,0,0,0|3,0,0]=4 368 B14R2.98 CCc1cncnc1c2ccco2 271570a_100000750936_200000100055 [1,0,0,0,0,0|2,1,0]=4 369 B14R2.98 CCc1cncnc1c2cccs2 271570a_100000742291_200000100055 [1,0,0,0,0,0|2,0,0]=3 370 B14R2.98 CCc1cncnc1c2cncs2 271570a_100010231675_200000100055 [1,0,0,0,0,0|3,0,0]=4 371 B14R2.98 CCc1ncccc1c2cc[nH]c2 271570a_100000102155_100009877225 [1,0,0,0,0,0|3,0,0]=4 372 B14R2.98 CCc1ncccc1c2cc[nH]n2 271570a_100000062414_100009877225 [1,0,0,0,0,0|3,0,0]=4 373 B14R2.98 CCc1ncccc1c2ccco2 271570a_100000750936_100009877225 [1,0,0,0,0,0|1,1,0]=3 374 B14R2.98 CCc1ncccc1c2cccs2 271570a_100000742291_100009877225 [1,0,0,0,0,0|1,0,0]=2 375 B14R2.98 CCc1ncccc1c2ccoc2 271570a_100011218838_100009877225 [1,0,0,0,0,0|3,0,0]=4 376 B14R2.98 CCc1ncccc1c2ccsc2 271570a_100011934443_100009877225 [1,0,0,0,0,0|3,0,0]=4 377 B14R2.98 CCc1ncccc1c2cncs2 271570a_100010231675_100009877225 [1,0,0,0,0,0|2,0,0]=3 378 B14R2.98 CCc1ncccc1c2ncc[nH]2 271570a_100016988920_100009877225 [1,0,0,0,0,0|3,0,0]=4 379 B14R2.98 CCc1nccnc1c2ccco2 271570a_100000750936_100011995844 [1,0,0,0,0,0|2,1,0]=4 380 B14R2.98 CCc1nccnc1c2cccs2 271570a_100000742291_100011995844 [1,0,0,0,0,0|2,0,0]=3 381 B14R2.98 CCc1nccnc1c2cncs2 271570a_100010231675_100011995844 [1,0,0,0,0,0|3,0,0]=4 382 B14R2.98 CCc1ncncc1c2ccco2 271570a_100000750936_100009816992 [1,0,0,0,0,0|2,1,0]=4 383 B14R2.98 CCc1ncncc1c2cccs2 271570a_100000742291_100009816992 [1,0,0,0,0,0|2,0,0]=3 384 B14R2.98 CCc1ncncc1c2cncs2 271570a_100010231675_100009816992 [1,0,0,0,0,0|3,0,0]=4 385 B14R2.98 CNc1ccccc1C2=CCCC2 271570a_100000089523_100020606079 [1,0,0,0,0,0|1,0,2]=4 386 B14R2.98 CNc1ccccc1C2=CCOC2 271570a_100009872500_100020606079 [1,0,0,0,0,0|2,0,1]=4 387 B14R2.98 CNc1ccccc1C2=COCC2 271570a_100000118173_100020606079 [1,0,0,0,0,0|2,0,1]=4 388 B14R2.98 CNc1ccccc1c2cc[nH]c2 271570a_100000102155_100020606079 [1,0,0,0,0,0|2,0,0]=3 389 B14R2.98 CNc1ccccc1c2cc[nH]n2 271570a_100000062414_100020606079 [1,0,0,0,0,0|2,0,0]=3 390 B14R2.98 CNc1ccccc1c2ccco2 271570a_100000750936_100020606079 [1,0,0,0,0,0|0,1,0]=2 391 B14R2.98 CNc1ccccc1c2ccco2 34a_200020605208_200000210301 [1,0,0,0,0,0|0,1,0]=2 392 B14R2.98 CNc1ccccc1c2cccs2 271570a_100000742291_100020606079 [1,0,0,0,0,0|0,0,0]=1 393 B14R2.98 CNc1ccccc1c2ccoc2 271570a_100011218838_100020606079 [1,0,0,0,0,0|2,0,0]=3 394 B14R2.98 CNc1ccccc1c2ccsc2 271570a_100011934443_100020606079 [1,0,0,0,0,0|2,0,0]=3 395 B14R2.98 CNc1ccccc1c2cn[nH]c2 271570a_100000041997_100020606079 [1,0,0,0,0,0|3,0,0]=4 396 B14R2.98 CNc1ccccc1c2cncs2 271570a_100010231675_100020606079 [1,0,0,0,0,0|1,0,0]=2 397 B14R2.98 CNc1ccccc1c2ncc[nH]2 271570a_100016988920_100020606079 [1,0,0,0,0,0|2,0,0]=3 398 B14R2.98 CNc1ccccc1n2cccc2 34a_100000187513_200000210301 [1,0,0,0,0,0|2,0,0]=3 399 B14R2.98 CNc1ccccc1n2cccn2 2230a_100000738828_200000210301 [1,0,0,0,0,0|2,0,0]=3 400 B14R2.98 CNc1ccccc1n2cccn2 34a_100000738828_200000210301 [1,0,0,0,0,0|2,0,0]=3 401 B14R2.98 CNc1ccccc1n2cncn2 2230a_100000736754_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B14R2.98 CNc1cccnc1c2cc[nH]c2 271570a_100000102155_200011806188 [1,0,0,0,0,0|3,0,0]=4 403 B14R2.98 CNc1cccnc1c2cc[nH]n2 271570a_100000062414_200011806188 [1,0,0,0,0,0|3,0,0]=4 404 B14R2.98 CNc1cccnc1c2ccco2 271570a_100000750936_200011806188 [1,0,0,0,0,0|1,1,0]=3 405 B14R2.98 CNc1cccnc1c2cccs2 271570a_100000742291_200011806188 [1,0,0,0,0,0|1,0,0]=2 406 B14R2.98 CNc1cccnc1c2ccoc2 271570a_100011218838_200011806188 [1,0,0,0,0,0|3,0,0]=4 407 B14R2.98 CNc1cccnc1c2ccsc2 271570a_100011934443_200011806188 [1,0,0,0,0,0|3,0,0]=4 408 B14R2.98 CNc1cccnc1c2cncs2 271570a_100010231675_200011806188 [1,0,0,0,0,0|2,0,0]=3 409 B14R2.98 CNc1cccnc1c2ncc[nH]2 271570a_100016988920_200011806188 [1,0,0,0,0,0|3,0,0]=4 410 B14R2.98 CNc1ccncc1c2cc[nH]c2 271570a_100000102155_100010069531 [1,0,0,0,0,0|3,0,0]=4 411 B14R2.98 CNc1ccncc1c2cc[nH]n2 271570a_100000062414_100010069531 [1,0,0,0,0,0|3,0,0]=4 412 B14R2.98 CNc1ccncc1c2ccco2 271570a_100000750936_100010069531 [1,0,0,0,0,0|1,1,0]=3 413 B14R2.98 CNc1ccncc1c2cccs2 271570a_100000742291_100010069531 [1,0,0,0,0,0|1,0,0]=2 414 B14R2.98 CNc1ccncc1c2ccoc2 271570a_100011218838_100010069531 [1,0,0,0,0,0|3,0,0]=4 415 B14R2.98 CNc1ccncc1c2ccsc2 271570a_100011934443_100010069531 [1,0,0,0,0,0|3,0,0]=4 416 B14R2.98 CNc1ccncc1c2cncs2 271570a_100010231675_100010069531 [1,0,0,0,0,0|2,0,0]=3 417 B14R2.98 CNc1ccncc1c2ncc[nH]2 271570a_100016988920_100010069531 [1,0,0,0,0,0|3,0,0]=4 418 B14R2.98 CNc1ncccc1c2cc[nH]c2 271570a_100000102155_100000700899 [1,0,0,0,0,0|3,0,0]=4 419 B14R2.98 CNc1ncccc1c2cc[nH]n2 271570a_100000062414_100000700899 [1,0,0,0,0,0|3,0,0]=4 420 B14R2.98 CNc1ncccc1c2ccco2 271570a_100000750936_100000700899 [1,0,0,0,0,0|1,1,0]=3 421 B14R2.98 CNc1ncccc1c2cccs2 271570a_100000742291_100000700899 [1,0,0,0,0,0|1,0,0]=2 422 B14R2.98 CNc1ncccc1c2ccoc2 271570a_100011218838_100000700899 [1,0,0,0,0,0|3,0,0]=4 423 B14R2.98 CNc1ncccc1c2ccsc2 271570a_100011934443_100000700899 [1,0,0,0,0,0|3,0,0]=4 424 B14R2.98 CNc1ncccc1c2cncs2 271570a_100010231675_100000700899 [1,0,0,0,0,0|2,0,0]=3 425 B14R2.98 CNc1ncccc1c2ncc[nH]2 271570a_100016988920_100000700899 [1,0,0,0,0,0|3,0,0]=4 426 B14R2.98 CNc1ncccc1n2cccc2 27a_100102657272_200000008450 [1,0,0,0,0,0|3,0,0]=4 427 B14R2.98 CNc1nccnc1c2ccco2 271570a_100000750936_100011529439 [1,0,0,0,0,0|2,1,0]=4 428 B14R2.98 CNc1nccnc1c2cccs2 271570a_100000742291_100011529439 [1,0,0,0,0,0|2,0,0]=3 429 B14R2.98 CNc1nccnc1c2cncs2 271570a_100010231675_100011529439 [1,0,0,0,0,0|3,0,0]=4 430 B14R2.98 CNc1ncncc1c2ccco2 271570a_100000750936_200012180720 [1,0,0,0,0,0|2,1,0]=4 431 B14R2.98 CNc1ncncc1c2cccs2 271570a_100000742291_200012180720 [1,0,0,0,0,0|2,0,0]=3 432 B14R2.98 CNc1ncncc1c2cncs2 271570a_100010231675_200012180720 [1,0,0,0,0,0|3,0,0]=4 433 B14R2.98 COc1ccccc1c2c[nH]cn2 271570a_100000756652_100000756875 [1,0,0,0,0,0|3,0,0]=4 434 B14R2.98 COc1ccccc1c2cc[nH]c2 271570a_100000102155_100000174000 [1,0,0,0,0,0|3,0,0]=4 435 B14R2.98 COc1ccccc1c2cc[nH]n2 271570a_100000062414_100000174000 [1,0,0,0,0,0|3,0,0]=4 436 B14R2.98 COc1ccccc1c2cc[nH]n2 271570a_100000756652_100000062575 [1,0,0,0,0,0|3,0,0]=4 437 B14R2.98 COc1ccccc1c2ccco2 271570a_100000750936_100000174000 [1,0,0,0,0,0|1,1,0]=3 438 B14R2.98 COc1ccccc1c2ccco2 271570a_100000756652_100009814098 [1,0,0,0,0,0|1,1,0]=3 439 B14R2.98 COc1ccccc1c2cccs2 271570a_100000742291_100000174000 [1,0,0,0,0,0|1,0,0]=2 440 B14R2.98 COc1ccccc1c2cccs2 271570a_100000756652_100011215356 [1,0,0,0,0,0|1,0,0]=2 441 B14R2.98 COc1ccccc1c2ccno2 34a_100000031527_200000210301 [1,0,0,0,0,0|2,1,0]=4 442 B14R2.98 COc1ccccc1c2ccoc2 271570a_100000756652_100011215275 [1,0,0,0,0,0|3,0,0]=4 443 B14R2.98 COc1ccccc1c2ccoc2 271570a_100011218838_100000174000 [1,0,0,0,0,0|3,0,0]=4 444 B14R2.98 COc1ccccc1c2ccsc2 271570a_100000756652_100000738268 [1,0,0,0,0,0|3,0,0]=4 445 B14R2.98 COc1ccccc1c2ccsc2 271570a_100011934443_100000174000 [1,0,0,0,0,0|3,0,0]=4 446 B14R2.98 COc1ccccc1c2ccsc2 34a_100011997965_200000210301 [1,0,0,0,0,0|3,0,0]=4 447 B14R2.98 COc1ccccc1c2ccsc2 7a_100011997965_200000210301 [1,0,0,0,0,0|3,0,0]=4 448 B14R2.98 COc1ccccc1c2ccsn2 271570a_100000756652_100009818082 [1,0,0,0,0,0|3,0,0]=4 449 B14R2.98 COc1ccccc1c2cnco2 271570a_100000756652_100020591547 [1,0,0,0,0,0|2,1,0]=4 450 B14R2.98 COc1ccccc1c2cncs2 271570a_100000756652_100011934649 [1,0,0,0,0,0|2,0,0]=3 451 B14R2.98 COc1ccccc1c2cncs2 271570a_100010231675_100000174000 [1,0,0,0,0,0|2,0,0]=3 452 B14R2.98 COc1ccccc1c2cscn2 271570a_100000756652_100000751502 [1,0,0,0,0,0|3,0,0]=4 453 B14R2.98 COc1ccccc1c2ncc[nH]2 271570a_100000756652_100025796157 [1,0,0,0,0,0|3,0,0]=4 454 B14R2.98 COc1ccccc1c2ncc[nH]2 271570a_100016988920_100000174000 [1,0,0,0,0,0|3,0,0]=4 455 B14R2.98 COc1ccccc1c2ncc[nH]2 34a_200000089398_200000210301 [1,0,0,0,0,0|3,0,0]=4 456 B14R2.98 COc1ccccc1c2ncco2 271570a_100000756652_100011787736 [1,0,0,0,0,0|2,1,0]=4 457 B14R2.98 COc1ccccc1c2nccs2 271570a_100000756652_100000211983 [1,0,0,0,0,0|2,0,0]=3 458 B14R2.98 COc1ccccc1c2ncns2 271570a_100000756652_100000693119 [1,0,0,0,0,0|3,0,0]=4 459 B14R2.98 COc1ccccc1c2nncs2 271570a_100000756652_100000739804 [1,0,0,0,0,0|3,0,0]=4 460 B14R2.98 COc1cccnc1c2ccco2 271570a_100000750936_100000690851 [1,0,0,0,0,0|2,1,0]=4 461 B14R2.98 COc1cccnc1c2cccs2 271570a_100000742291_100000690851 [1,0,0,0,0,0|2,0,0]=3 462 B14R2.98 COc1cccnc1c2cncs2 271570a_100010231675_100000690851 [1,0,0,0,0,0|3,0,0]=4 463 B14R2.98 COc1ccncc1c2ccco2 271570a_100000750936_100011997281 [1,0,0,0,0,0|2,1,0]=4 464 B14R2.98 COc1ccncc1c2ccco2 271570a_100011830476_100009814098 [1,0,0,0,0,0|2,1,0]=4 465 B14R2.98 COc1ccncc1c2cccs2 271570a_100000742291_100011997281 [1,0,0,0,0,0|2,0,0]=3 466 B14R2.98 COc1ccncc1c2cccs2 271570a_100011830476_100011215356 [1,0,0,0,0,0|2,0,0]=3 467 B14R2.98 COc1ccncc1c2cncs2 271570a_100010231675_100011997281 [1,0,0,0,0,0|3,0,0]=4 468 B14R2.98 COc1ccncc1c2cncs2 271570a_100011830476_100011934649 [1,0,0,0,0,0|3,0,0]=4 469 B14R2.98 COc1ccncc1c2nccs2 271570a_100011830476_100000211983 [1,0,0,0,0,0|3,0,0]=4 470 B14R2.98 COc1cnccc1c2ccco2 271570a_100000084644_100009814098 [1,0,0,0,0,0|2,1,0]=4 471 B14R2.98 COc1cnccc1c2ccco2 271570a_100000750936_100016988167 [1,0,0,0,0,0|2,1,0]=4 472 B14R2.98 COc1cnccc1c2cccs2 271570a_100000084644_100011215356 [1,0,0,0,0,0|2,0,0]=3 473 B14R2.98 COc1cnccc1c2cccs2 271570a_100000742291_100016988167 [1,0,0,0,0,0|2,0,0]=3 474 B14R2.98 COc1cnccc1c2cncs2 271570a_100000084644_100011934649 [1,0,0,0,0,0|3,0,0]=4 475 B14R2.98 COc1cnccc1c2cncs2 271570a_100010231675_100016988167 [1,0,0,0,0,0|3,0,0]=4 476 B14R2.98 COc1cnccc1c2nccs2 271570a_100000084644_100000211983 [1,0,0,0,0,0|3,0,0]=4 477 B14R2.98 COc1cncnc1c2cccs2 271570a_100000742291_100012001275 [1,0,0,0,0,0|3,0,0]=4 478 B14R2.98 COc1ncccc1c2ccco2 271570a_100000750936_100000047025 [1,0,0,0,0,0|2,1,0]=4 479 B14R2.98 COc1ncccc1c2ccco2 271570a_100011290909_100009814098 [1,0,0,0,0,0|2,1,0]=4 480 B14R2.98 COc1ncccc1c2cccs2 271570a_100000742291_100000047025 [1,0,0,0,0,0|2,0,0]=3 481 B14R2.98 COc1ncccc1c2cccs2 271570a_100011290909_100011215356 [1,0,0,0,0,0|2,0,0]=3 482 B14R2.98 COc1ncccc1c2cncs2 271570a_100010231675_100000047025 [1,0,0,0,0,0|3,0,0]=4 483 B14R2.98 COc1ncccc1c2cncs2 271570a_100011290909_100011934649 [1,0,0,0,0,0|3,0,0]=4 484 B14R2.98 COc1ncccc1c2nccs2 271570a_100011290909_100000211983 [1,0,0,0,0,0|3,0,0]=4 485 B14R2.98 COc1nccnc1c2cccs2 271570a_100000742291_100000749998 [1,0,0,0,0,0|3,0,0]=4 486 B14R2.98 COc1ncncc1c2cccs2 271570a_100000742291_100000719902 [1,0,0,0,0,0|3,0,0]=4 487 B14R2.98 CSc1ccccc1c2c[nH]cn2 271570a_100011218165_100000756875 [1,0,0,0,0,0|3,0,0]=4 488 B14R2.98 CSc1ccccc1c2cc[nH]c2 271570a_100000102155_100011217816 [1,0,0,0,0,0|3,0,0]=4 489 B14R2.98 CSc1ccccc1c2cc[nH]n2 271570a_100000062414_100011217816 [1,0,0,0,0,0|3,0,0]=4 490 B14R2.98 CSc1ccccc1c2cc[nH]n2 271570a_100011218165_100000062575 [1,0,0,0,0,0|3,0,0]=4 491 B14R2.98 CSc1ccccc1c2cc[nH]n2 62a_100011216357_200000210301 [1,0,0,0,0,0|3,0,0]=4 492 B14R2.98 CSc1ccccc1c2ccco2 271570a_100000750936_100011217816 [1,0,0,0,0,0|1,1,0]=3 493 B14R2.98 CSc1ccccc1c2ccco2 271570a_100011218165_100009814098 [1,0,0,0,0,0|1,1,0]=3 494 B14R2.98 CSc1ccccc1c2cccs2 271570a_100000742291_100011217816 [1,0,0,0,0,0|1,0,0]=2 495 B14R2.98 CSc1ccccc1c2cccs2 271570a_100011218165_100011215356 [1,0,0,0,0,0|1,0,0]=2 496 B14R2.98 CSc1ccccc1c2ccno2 62a_100011218344_200000210301 [1,0,0,0,0,0|2,1,0]=4 497 B14R2.98 CSc1ccccc1c2ccno2 62a_200000210301_100011218344 [1,0,0,0,0,0|2,1,0]=4 498 B14R2.98 CSc1ccccc1c2ccoc2 271570a_100011218165_100011215275 [1,0,0,0,0,0|3,0,0]=4 499 B14R2.98 CSc1ccccc1c2ccoc2 271570a_100011218838_100011217816 [1,0,0,0,0,0|3,0,0]=4 500 B14R2.98 CSc1ccccc1c2ccsc2 271570a_100011218165_100000738268 [1,0,0,0,0,0|3,0,0]=4 501 B14R2.98 CSc1ccccc1c2ccsc2 271570a_100011934443_100011217816 [1,0,0,0,0,0|3,0,0]=4 502 B14R2.98 CSc1ccccc1c2ccsn2 271570a_100011218165_100009818082 [1,0,0,0,0,0|3,0,0]=4 503 B14R2.98 CSc1ccccc1c2cnco2 271570a_100011218165_100020591547 [1,0,0,0,0,0|2,1,0]=4 504 B14R2.98 CSc1ccccc1c2cnco2 62a_100009816723_200000210301 [1,0,0,0,0,0|2,1,0]=4 505 B14R2.98 CSc1ccccc1c2cnco2 62a_200000210301_100009816723 [1,0,0,0,0,0|2,1,0]=4 506 B14R2.98 CSc1ccccc1c2cncs2 271570a_100010231675_100011217816 [1,0,0,0,0,0|2,0,0]=3 507 B14R2.98 CSc1ccccc1c2cncs2 271570a_100011218165_100011934649 [1,0,0,0,0,0|2,0,0]=3 508 B14R2.98 CSc1ccccc1c2cocn2 62a_100010198669_200000210301 [1,0,0,0,0,0|3,0,0]=4 509 B14R2.98 CSc1ccccc1c2cocn2 62a_200000210301_100010198669 [1,0,0,0,0,0|3,0,0]=4 510 B14R2.98 CSc1ccccc1c2cscn2 271570a_100011218165_100000751502 [1,0,0,0,0,0|3,0,0]=4 511 B14R2.98 CSc1ccccc1c2ncc[nH]2 271570a_100011218165_100025796157 [1,0,0,0,0,0|3,0,0]=4 512 B14R2.98 CSc1ccccc1c2ncc[nH]2 271570a_100016988920_100011217816 [1,0,0,0,0,0|3,0,0]=4 513 B14R2.98 CSc1ccccc1c2ncc[nH]2 62a_100011532729_200000210301 [1,0,0,0,0,0|3,0,0]=4 514 B14R2.98 CSc1ccccc1c2ncc[nH]2 62a_200000210301_100011532729 [1,0,0,0,0,0|3,0,0]=4 515 B14R2.98 CSc1ccccc1c2ncco2 271570a_100011218165_100011787736 [1,0,0,0,0,0|2,1,0]=4 516 B14R2.98 CSc1ccccc1c2ncco2 62a_100010188011_200000210301 [1,0,0,0,0,0|2,1,0]=4 517 B14R2.98 CSc1ccccc1c2ncco2 62a_200000210301_100010188011 [1,0,0,0,0,0|2,1,0]=4 518 B14R2.98 CSc1ccccc1c2nccs2 271570a_100011218165_100000211983 [1,0,0,0,0,0|2,0,0]=3 519 B14R2.98 CSc1ccccc1c2nccs2 62a_103496549459_200000210301 [1,0,0,0,0,0|2,0,0]=3 520 B14R2.98 CSc1ccccc1c2nccs2 62a_200000210301_103496549459 [1,0,0,0,0,0|2,0,0]=3 521 B14R2.98 CSc1ccccc1c2ncns2 271570a_100011218165_100000693119 [1,0,0,0,0,0|3,0,0]=4 522 B14R2.98 CSc1ccccc1c2nncs2 271570a_100011218165_100000739804 [1,0,0,0,0,0|3,0,0]=4 523 B14R2.98 CSc1ccccc1n2cccc2 62a_200000178846_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B14R2.98 CSc1ccccc1n2cccc2 62a_200000210301_200000178846 [1,0,0,0,0,0|3,0,0]=4 525 B14R2.98 CSc1ccccc1n2cccn2 62a_100011313175_200000210301 [1,0,0,0,0,0|3,0,0]=4 526 B14R2.98 CSc1ncccc1c2ccco2 271570a_100000750936_100011465278 [1,0,0,0,0,0|2,1,0]=4 527 B14R2.98 CSc1ncccc1c2cccs2 271570a_100000742291_100011465278 [1,0,0,0,0,0|2,0,0]=3 528 B14R2.98 CSc1ncccc1c2cncs2 271570a_100010231675_100011465278 [1,0,0,0,0,0|3,0,0]=4 529 B14R2.98 N#Cc1ccccc1c2ccco2 271570a_100000043008_100009814098 [1,0,0,0,0,0|0,1,2]=4 530 B14R2.98 N#Cc1ccccc1c2ccco2 271570a_100000750936_100000188569 [1,0,0,0,0,0|0,1,2]=4 531 B14R2.98 N#Cc1ccccc1c2cccs2 271570a_100000043008_100011215356 [1,0,0,0,0,0|0,0,2]=3 532 B14R2.98 N#Cc1ccccc1c2cccs2 271570a_100000742291_100000188569 [1,0,0,0,0,0|0,0,2]=3 533 B14R2.98 N#Cc1ccccc1c2cncs2 271570a_100000043008_100011934649 [1,0,0,0,0,0|1,0,2]=4 534 B14R2.98 N#Cc1ccccc1c2cncs2 271570a_100010231675_100000188569 [1,0,0,0,0,0|1,0,2]=4 535 B14R2.98 N#Cc1ccccc1c2nccs2 271570a_100000043008_100000211983 [1,0,0,0,0,0|1,0,2]=4 536 B14R2.98 N#Cc1cccnc1c2cccs2 271570a_100000742291_100000211984 [1,0,0,0,0,0|1,0,2]=4 537 B14R2.98 N#Cc1ccncc1c2cccs2 271570a_100000062271_100011215356 [1,0,0,0,0,0|1,0,2]=4 538 B14R2.98 N#Cc1ccncc1c2cccs2 271570a_100000742291_100000684818 [1,0,0,0,0,0|1,0,2]=4 539 B14R2.98 N#Cc1cnccc1c2cccs2 271570a_100000742291_100000687039 [1,0,0,0,0,0|1,0,2]=4 540 B14R2.98 N#Cc1cnccc1c2cccs2 271570a_200000062430_100011215356 [1,0,0,0,0,0|1,0,2]=4 541 B14R2.98 N#Cc1ncccc1c2cccs2 271570a_100000062270_100011215356 [1,0,0,0,0,0|1,0,2]=4 542 B14R2.98 N#Cc1ncccc1c2cccs2 271570a_100000742291_100000685805 [1,0,0,0,0,0|1,0,2]=4 543 B14R2.98 NCc1ccccc1C2=CCCC2 271570a_100000089523_100000689332 [1,0,0,0,0,0|1,0,2]=4 544 B14R2.98 NCc1ccccc1C2=CCOC2 271570a_100009872500_100000689332 [1,0,0,0,0,0|2,0,1]=4 545 B14R2.98 NCc1ccccc1C2=COCC2 271570a_100000118173_100000689332 [1,0,0,0,0,0|2,0,1]=4 546 B14R2.98 NCc1ccccc1c2c[nH]cn2 271570a_100020632975_100000756875 [1,0,0,0,0,0|2,0,0]=3 547 B14R2.98 NCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000689332 [1,0,0,0,0,0|2,0,0]=3 548 B14R2.98 NCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000689332 [1,0,0,0,0,0|2,0,0]=3 549 B14R2.98 NCc1ccccc1c2cc[nH]n2 271570a_100020632975_100000062575 [1,0,0,0,0,0|2,0,0]=3 550 B14R2.98 NCc1ccccc1c2ccco2 271570a_100000750936_100000689332 [1,0,0,0,0,0|0,1,0]=2 551 B14R2.98 NCc1ccccc1c2ccco2 271570a_100020632975_100009814098 [1,0,0,0,0,0|0,1,0]=2 552 B14R2.98 NCc1ccccc1c2cccs2 271570a_100000742291_100000689332 [1,0,0,0,0,0|0,0,0]=1 553 B14R2.98 NCc1ccccc1c2cccs2 271570a_100020632975_100011215356 [1,0,0,0,0,0|0,0,0]=1 554 B14R2.98 NCc1ccccc1c2ccoc2 271570a_100011218838_100000689332 [1,0,0,0,0,0|2,0,0]=3 555 B14R2.98 NCc1ccccc1c2ccoc2 271570a_100020632975_100011215275 [1,0,0,0,0,0|2,0,0]=3 556 B14R2.98 NCc1ccccc1c2ccsc2 271570a_100011934443_100000689332 [1,0,0,0,0,0|2,0,0]=3 557 B14R2.98 NCc1ccccc1c2ccsc2 271570a_100020632975_100000738268 [1,0,0,0,0,0|2,0,0]=3 558 B14R2.98 NCc1ccccc1c2ccsn2 271570a_100020632975_100009818082 [1,0,0,0,0,0|2,0,0]=3 559 B14R2.98 NCc1ccccc1c2cn[nH]c2 271570a_100000041997_100000689332 [1,0,0,0,0,0|3,0,0]=4 560 B14R2.98 NCc1ccccc1c2cn[nH]c2 271570a_100020632975_100000238712 [1,0,0,0,0,0|3,0,0]=4 561 B14R2.98 NCc1ccccc1c2cnco2 271570a_100020632975_100020591547 [1,0,0,0,0,0|1,1,0]=3 562 B14R2.98 NCc1ccccc1c2cncs2 271570a_100010231675_100000689332 [1,0,0,0,0,0|1,0,0]=2 563 B14R2.98 NCc1ccccc1c2cncs2 271570a_100020632975_100011934649 [1,0,0,0,0,0|1,0,0]=2 564 B14R2.98 NCc1ccccc1c2cnoc2 271570a_100020632975_100009815712 [1,0,0,0,0,0|3,0,0]=4 565 B14R2.98 NCc1ccccc1c2cnsc2 271570a_100020632975_100009815736 [1,0,0,0,0,0|3,0,0]=4 566 B14R2.98 NCc1ccccc1c2cscn2 271570a_100020632975_100000751502 [1,0,0,0,0,0|2,0,0]=3 567 B14R2.98 NCc1ccccc1c2nc[nH]n2 271570a_100020632975_100000761765 [1,0,0,0,0,0|3,0,0]=4 568 B14R2.98 NCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000689332 [1,0,0,0,0,0|2,0,0]=3 569 B14R2.98 NCc1ccccc1c2ncc[nH]2 271570a_100020632975_100025796157 [1,0,0,0,0,0|2,0,0]=3 570 B14R2.98 NCc1ccccc1c2ncco2 271570a_100020632975_100011787736 [1,0,0,0,0,0|1,1,0]=3 571 B14R2.98 NCc1ccccc1c2nccs2 271570a_100020632975_100000211983 [1,0,0,0,0,0|1,0,0]=2 572 B14R2.98 NCc1ccccc1c2ncns2 271570a_100020632975_100000693119 [1,0,0,0,0,0|2,0,0]=3 573 B14R2.98 NCc1ccccc1c2nncs2 271570a_100020632975_100000739804 [1,0,0,0,0,0|2,0,0]=3 574 B14R2.98 NCc1cccnc1c2cc[nH]c2 271570a_100000102155_100015189234 [1,0,0,0,0,0|3,0,0]=4 575 B14R2.98 NCc1cccnc1c2cc[nH]n2 271570a_100000062414_100015189234 [1,0,0,0,0,0|3,0,0]=4 576 B14R2.98 NCc1cccnc1c2ccco2 271570a_100000750936_100015189234 [1,0,0,0,0,0|1,1,0]=3 577 B14R2.98 NCc1cccnc1c2cccs2 271570a_100000742291_100015189234 [1,0,0,0,0,0|1,0,0]=2 578 B14R2.98 NCc1cccnc1c2ccoc2 271570a_100011218838_100015189234 [1,0,0,0,0,0|3,0,0]=4 579 B14R2.98 NCc1cccnc1c2ccsc2 271570a_100011934443_100015189234 [1,0,0,0,0,0|3,0,0]=4 580 B14R2.98 NCc1cccnc1c2cncs2 271570a_100010231675_100015189234 [1,0,0,0,0,0|2,0,0]=3 581 B14R2.98 NCc1cccnc1c2ncc[nH]2 271570a_100016988920_100015189234 [1,0,0,0,0,0|3,0,0]=4 582 B14R2.98 NCc1ccncc1c2cc[nH]c2 271570a_100000102155_100020640021 [1,0,0,0,0,0|3,0,0]=4 583 B14R2.98 NCc1ccncc1c2cc[nH]n2 271570a_100000062414_100020640021 [1,0,0,0,0,0|3,0,0]=4 584 B14R2.98 NCc1ccncc1c2ccco2 271570a_100000750936_100020640021 [1,0,0,0,0,0|1,1,0]=3 585 B14R2.98 NCc1ccncc1c2cccs2 271570a_100000742291_100020640021 [1,0,0,0,0,0|1,0,0]=2 586 B14R2.98 NCc1ccncc1c2ccoc2 271570a_100011218838_100020640021 [1,0,0,0,0,0|3,0,0]=4 587 B14R2.98 NCc1ccncc1c2ccsc2 271570a_100011934443_100020640021 [1,0,0,0,0,0|3,0,0]=4 588 B14R2.98 NCc1ccncc1c2cncs2 271570a_100010231675_100020640021 [1,0,0,0,0,0|2,0,0]=3 589 B14R2.98 NCc1ccncc1c2ncc[nH]2 271570a_100016988920_100020640021 [1,0,0,0,0,0|3,0,0]=4 590 B14R2.98 NCc1ncccc1c2cc[nH]c2 271570a_100000102155_100020591323 [1,0,0,0,0,0|3,0,0]=4 591 B14R2.98 NCc1ncccc1c2cc[nH]n2 271570a_100000062414_100020591323 [1,0,0,0,0,0|3,0,0]=4 592 B14R2.98 NCc1ncccc1c2ccco2 271570a_100000750936_100020591323 [1,0,0,0,0,0|1,1,0]=3 593 B14R2.98 NCc1ncccc1c2cccs2 271570a_100000742291_100020591323 [1,0,0,0,0,0|1,0,0]=2 594 B14R2.98 NCc1ncccc1c2ccoc2 271570a_100011218838_100020591323 [1,0,0,0,0,0|3,0,0]=4 595 B14R2.98 NCc1ncccc1c2ccsc2 271570a_100011934443_100020591323 [1,0,0,0,0,0|3,0,0]=4 596 B14R2.98 NCc1ncccc1c2cncs2 271570a_100010231675_100020591323 [1,0,0,0,0,0|2,0,0]=3 597 B14R2.98 NCc1ncccc1c2ncc[nH]2 271570a_100016988920_100020591323 [1,0,0,0,0,0|3,0,0]=4 598 B14R2.98 NCc1nccnc1c2ccco2 271570a_100000750936_100000729963 [1,0,0,0,0,0|2,1,0]=4 599 B14R2.98 NCc1nccnc1c2cccs2 271570a_100000742291_100000729963 [1,0,0,0,0,0|2,0,0]=3 600 B14R2.98 NCc1nccnc1c2cncs2 271570a_100010231675_100000729963 [1,0,0,0,0,0|3,0,0]=4 601 B14R2.98 NNc1ccccc1c2cc[nH]c2 271570a_100000102155_100000241748 [1,0,0,0,0,0|3,0,0]=4 602 B14R2.98 NNc1ccccc1c2cc[nH]n2 271570a_100000062414_100000241748 [1,0,0,0,0,0|3,0,0]=4 603 B14R2.98 NNc1ccccc1c2ccco2 271570a_100000750936_100000241748 [1,0,0,0,0,0|1,1,0]=3 604 B14R2.98 NNc1ccccc1c2cccs2 271570a_100000742291_100000241748 [1,0,0,0,0,0|1,0,0]=2 605 B14R2.98 NNc1ccccc1c2ccoc2 271570a_100011218838_100000241748 [1,0,0,0,0,0|3,0,0]=4 606 B14R2.98 NNc1ccccc1c2ccsc2 271570a_100011934443_100000241748 [1,0,0,0,0,0|3,0,0]=4 607 B14R2.98 NNc1ccccc1c2cncs2 271570a_100010231675_100000241748 [1,0,0,0,0,0|2,0,0]=3 608 B14R2.98 NNc1ccccc1c2ncc[nH]2 271570a_100016988920_100000241748 [1,0,0,0,0,0|3,0,0]=4 609 B14R2.98 NNc1ccncc1c2ccco2 271570a_100000750936_100013404636 [1,0,0,0,0,0|2,1,0]=4 610 B14R2.98 NNc1ccncc1c2cccs2 271570a_100000742291_100013404636 [1,0,0,0,0,0|2,0,0]=3 611 B14R2.98 NNc1ccncc1c2cncs2 271570a_100010231675_100013404636 [1,0,0,0,0,0|3,0,0]=4 612 B14R2.98 NNc1ncccc1c2ccco2 271570a_100000750936_100011464834 [1,0,0,0,0,0|2,1,0]=4 613 B14R2.98 NNc1ncccc1c2cccs2 271570a_100000742291_100011464834 [1,0,0,0,0,0|2,0,0]=3 614 B14R2.98 NNc1ncccc1c2cncs2 271570a_100010231675_100011464834 [1,0,0,0,0,0|3,0,0]=4 615 B14R2.98 NNc1nccnc1c2cccs2 271570a_100000742291_100000755098 [1,0,0,0,0,0|3,0,0]=4 616 B14R2.98 O=Cc1ccccc1c2ccco2 271570a_100000740022_100009814098 [1,0,0,0,0,0|1,1,1]=4 617 B14R2.98 O=Cc1ccccc1c2ccco2 271570a_100000750936_100000211189 [1,0,0,0,0,0|1,1,1]=4 618 B14R2.98 O=Cc1ccccc1c2cccs2 271570a_100000740022_100011215356 [1,0,0,0,0,0|1,0,1]=3 619 B14R2.98 O=Cc1ccccc1c2cccs2 271570a_100000742291_100000211189 [1,0,0,0,0,0|1,0,1]=3 620 B14R2.98 O=Cc1ccccc1c2cncs2 271570a_100000740022_100011934649 [1,0,0,0,0,0|2,0,1]=4 621 B14R2.98 O=Cc1ccccc1c2cncs2 271570a_100010231675_100000211189 [1,0,0,0,0,0|2,0,1]=4 622 B14R2.98 O=Cc1ccccc1c2nccs2 271570a_100000740022_100000211983 [1,0,0,0,0,0|2,0,1]=4 623 B14R2.98 O=Cc1cccnc1c2cccs2 271570a_100000742291_100009816751 [1,0,0,0,0,0|2,0,1]=4 624 B14R2.98 O=Cc1ccncc1c2cccs2 271570a_100000742291_100011934409 [1,0,0,0,0,0|2,0,1]=4 625 B14R2.98 O=Cc1cnccc1c2cccs2 271570a_100000742291_100000050567 [1,0,0,0,0,0|2,0,1]=4 626 B14R2.98 O=Cc1ncccc1c2cccs2 271570a_100000742291_100011934733 [1,0,0,0,0,0|2,0,1]=4 627 B14R2.98 OCc1ccccc1c2c[nH]cn2 271570a_100000066922_100000756875 [1,0,0,0,0,0|3,0,0]=4 628 B14R2.98 OCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000187465 [1,0,0,0,0,0|3,0,0]=4 629 B14R2.98 OCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000187465 [1,0,0,0,0,0|3,0,0]=4 630 B14R2.98 OCc1ccccc1c2cc[nH]n2 271570a_100000066922_100000062575 [1,0,0,0,0,0|3,0,0]=4 631 B14R2.98 OCc1ccccc1c2ccco2 271570a_100000066922_100009814098 [1,0,0,0,0,0|1,1,0]=3 632 B14R2.98 OCc1ccccc1c2ccco2 271570a_100000750936_100000187465 [1,0,0,0,0,0|1,1,0]=3 633 B14R2.98 OCc1ccccc1c2cccs2 271570a_100000066922_100011215356 [1,0,0,0,0,0|1,0,0]=2 634 B14R2.98 OCc1ccccc1c2cccs2 271570a_100000742291_100000187465 [1,0,0,0,0,0|1,0,0]=2 635 B14R2.98 OCc1ccccc1c2ccoc2 271570a_100000066922_100011215275 [1,0,0,0,0,0|3,0,0]=4 636 B14R2.98 OCc1ccccc1c2ccoc2 271570a_100011218838_100000187465 [1,0,0,0,0,0|3,0,0]=4 637 B14R2.98 OCc1ccccc1c2ccsc2 271570a_100000066922_100000738268 [1,0,0,0,0,0|3,0,0]=4 638 B14R2.98 OCc1ccccc1c2ccsc2 271570a_100011934443_100000187465 [1,0,0,0,0,0|3,0,0]=4 639 B14R2.98 OCc1ccccc1c2ccsn2 271570a_100000066922_100009818082 [1,0,0,0,0,0|3,0,0]=4 640 B14R2.98 OCc1ccccc1c2cnco2 271570a_100000066922_100020591547 [1,0,0,0,0,0|2,1,0]=4 641 B14R2.98 OCc1ccccc1c2cncs2 271570a_100000066922_100011934649 [1,0,0,0,0,0|2,0,0]=3 642 B14R2.98 OCc1ccccc1c2cncs2 271570a_100010231675_100000187465 [1,0,0,0,0,0|2,0,0]=3 643 B14R2.98 OCc1ccccc1c2cscn2 271570a_100000066922_100000751502 [1,0,0,0,0,0|3,0,0]=4 644 B14R2.98 OCc1ccccc1c2ncc[nH]2 271570a_100000066922_100025796157 [1,0,0,0,0,0|3,0,0]=4 645 B14R2.98 OCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000187465 [1,0,0,0,0,0|3,0,0]=4 646 B14R2.98 OCc1ccccc1c2ncco2 271570a_100000066922_100011787736 [1,0,0,0,0,0|2,1,0]=4 647 B14R2.98 OCc1ccccc1c2nccs2 271570a_100000066922_100000211983 [1,0,0,0,0,0|2,0,0]=3 648 B14R2.98 OCc1ccccc1c2ncns2 271570a_100000066922_100000693119 [1,0,0,0,0,0|3,0,0]=4 649 B14R2.98 OCc1ccccc1c2nncs2 271570a_100000066922_100000739804 [1,0,0,0,0,0|3,0,0]=4 650 B14R2.98 OCc1cccnc1c2ccco2 271570a_100000750936_100000748726 [1,0,0,0,0,0|2,1,0]=4 651 B14R2.98 OCc1cccnc1c2cccs2 271570a_100000742291_100000748726 [1,0,0,0,0,0|2,0,0]=3 652 B14R2.98 OCc1cccnc1c2cncs2 271570a_100010231675_100000748726 [1,0,0,0,0,0|3,0,0]=4 653 B14R2.98 OCc1ccncc1c2ccco2 271570a_100000750936_100009873359 [1,0,0,0,0,0|2,1,0]=4 654 B14R2.98 OCc1ccncc1c2cccs2 271570a_100000742291_100009873359 [1,0,0,0,0,0|2,0,0]=3 655 B14R2.98 OCc1ccncc1c2cncs2 271570a_100010231675_100009873359 [1,0,0,0,0,0|3,0,0]=4 656 B14R2.98 OCc1cnccc1c2ccco2 271570a_100000750936_100000117392 [1,0,0,0,0,0|2,1,0]=4 657 B14R2.98 OCc1cnccc1c2cccs2 271570a_100000742291_100000117392 [1,0,0,0,0,0|2,0,0]=3 658 B14R2.98 OCc1cnccc1c2cncs2 271570a_100010231675_100000117392 [1,0,0,0,0,0|3,0,0]=4 659 B14R2.98 OCc1ncccc1c2ccco2 271570a_100000750936_100011996772 [1,0,0,0,0,0|2,1,0]=4 660 B14R2.98 OCc1ncccc1c2cccs2 271570a_100000742291_100011996772 [1,0,0,0,0,0|2,0,0]=3 661 B14R2.98 OCc1ncccc1c2cncs2 271570a_100010231675_100011996772 [1,0,0,0,0,0|3,0,0]=4 662 B14R2.98 OCc1nccnc1c2cccs2 271570a_100000742291_100000057004 [1,0,0,0,0,0|3,0,0]=4 663 B14R2.98 [13CH3]Nc1ccccc1c2ccco2 34a_200020605208_200025704644 [1,0,0,0,0,0|0,1,0]=2 664 B14R2.98 [13CH3]Nc1ccccc1n2cccc2 34a_100000187513_200025704644 [1,0,0,0,0,0|2,0,0]=3 665 B14R2.98 [13CH3]Nc1ccccc1n2cccn2 2230a_100000738828_200025704644 [1,0,0,0,0,0|2,0,0]=3 666 B14R2.98 [13CH3]Nc1ccccc1n2cccn2 34a_100000738828_200025704644 [1,0,0,0,0,0|2,0,0]=3 667 B14R2.98 [13CH3]Nc1ccccc1n2cncn2 2230a_100000736754_200025704644 [1,0,0,0,0,0|3,0,0]=4 668 B14R2.98 [13CH3]Oc1ccccc1c2ccno2 34a_100000031527_200025704644 [1,0,0,0,0,0|2,1,0]=4 669 B14R2.98 [13CH3]Oc1ccccc1c2ccsc2 34a_100011997965_200025704644 [1,0,0,0,0,0|3,0,0]=4 670 B14R2.98 [13CH3]Oc1ccccc1c2ccsc2 7a_100011997965_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B14R2.98 [13CH3]Oc1ccccc1c2ncc[nH]2 34a_200000089398_200025704644 [1,0,0,0,0,0|3,0,0]=4 672 B14R2.98 [13CH3]Sc1ccccc1c2cc[nH]n2 62a_100011216357_200025704644 [1,0,0,0,0,0|3,0,0]=4 673 B14R2.98 [13CH3]Sc1ccccc1c2ccno2 62a_100011218344_200025704644 [1,0,0,0,0,0|2,1,0]=4 674 B14R2.98 [13CH3]Sc1ccccc1c2ccno2 62a_200025704644_100011218344 [1,0,0,0,0,0|2,1,0]=4 675 B14R2.98 [13CH3]Sc1ccccc1c2cnco2 62a_100009816723_200025704644 [1,0,0,0,0,0|2,1,0]=4 676 B14R2.98 [13CH3]Sc1ccccc1c2cnco2 62a_200025704644_100009816723 [1,0,0,0,0,0|2,1,0]=4 677 B14R2.98 [13CH3]Sc1ccccc1c2cocn2 62a_100010198669_200025704644 [1,0,0,0,0,0|3,0,0]=4 678 B14R2.98 [13CH3]Sc1ccccc1c2cocn2 62a_200025704644_100010198669 [1,0,0,0,0,0|3,0,0]=4 679 B14R2.98 [13CH3]Sc1ccccc1c2ncc[nH]2 62a_100011532729_200025704644 [1,0,0,0,0,0|3,0,0]=4 680 B14R2.98 [13CH3]Sc1ccccc1c2ncc[nH]2 62a_200025704644_100011532729 [1,0,0,0,0,0|3,0,0]=4 681 B14R2.98 [13CH3]Sc1ccccc1c2ncco2 62a_100010188011_200025704644 [1,0,0,0,0,0|2,1,0]=4 682 B14R2.98 [13CH3]Sc1ccccc1c2ncco2 62a_200025704644_100010188011 [1,0,0,0,0,0|2,1,0]=4 683 B14R2.98 [13CH3]Sc1ccccc1c2nccs2 62a_103496549459_200025704644 [1,0,0,0,0,0|2,0,0]=3 684 B14R2.98 [13CH3]Sc1ccccc1c2nccs2 62a_200025704644_103496549459 [1,0,0,0,0,0|2,0,0]=3 685 B14R2.98 [13CH3]Sc1ccccc1n2cccc2 62a_200000178846_200025704644 [1,0,0,0,0,0|3,0,0]=4 686 B14R2.98 [13CH3]Sc1ccccc1n2cccc2 62a_200025704644_200000178846 [1,0,0,0,0,0|3,0,0]=4 687 B14R2.98 [13CH3]Sc1ccccc1n2cccn2 62a_100011313175_200025704644 [1,0,0,0,0,0|3,0,0]=4 688 B16R2.55 C=CCc1ccccc1c2cc(cs2)C 271570a_100000038307_100009828059 [0,1,0,0,0,0|1,0,1]=3 689 B16R2.55 C=CCc1ccccc1c2cc(cs2)C 271570a_200010742005_100009876951 [0,1,0,0,0,0|1,0,1]=3 690 B16R2.55 C=CCc1ccccc1c2cc(ns2)C 271570a_200010742005_100009815735 [0,1,0,0,0,0|2,0,1]=4 691 B16R2.55 C=CCc1ccccc1c2ccc(o2)C 271570a_100000061910_100009828059 [0,1,0,0,0,0|1,1,1]=4 692 B16R2.55 C=CCc1ccccc1c2ccc(s2)Br 271570a_200010742005_100010197418 [0,1,0,0,0,0|1,0,1]=3 693 B16R2.55 C=CCc1ccccc1c2ccc(s2)C 271570a_100011934456_100009828059 [0,1,0,0,0,0|1,0,1]=3 694 B16R2.55 C=CCc1ccccc1c2ccc(s2)C 271570a_200010742005_100000761539 [0,1,0,0,0,0|1,0,1]=3 695 B16R2.55 C=CCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100009828059 [0,1,0,0,0,0|1,0,1]=3 696 B16R2.55 C=CCc1ccccc1c2cnc(s2)C 271570a_100000696845_100009828059 [0,1,0,0,0,0|2,0,1]=4 697 B16R2.55 C=CCc1ccccc1c2cnc(s2)C 271570a_200010742005_100000764884 [0,1,0,0,0,0|2,0,1]=4 698 B16R2.55 C=CCc1ccccc1c2nc(cs2)Br 271570a_200010742005_200016082925 [0,1,0,0,0,0|2,0,1]=4 699 B16R2.55 C=CCc1ccccc1c2nc(cs2)C 271570a_200010742005_100011291629 [0,1,0,0,0,0|2,0,1]=4 700 B16R2.55 C=CCc1ccccc1c2nc(cs2)N 271570a_200010742005_200015188442 [0,1,0,0,0,0|2,0,1]=4 701 B16R2.55 C=CCc1ccccc1c2ncc(s2)C 271570a_200010742005_100000690809 [0,1,0,0,0,0|2,0,1]=4 702 B16R2.55 CCCc1ncncc1c2cc(cs2)C 271570a_100000038307_100009816987 [0,1,0,0,0,0|3,0,0]=4 703 B16R2.55 CCCc1ncncc1c2ccc(s2)C 271570a_100011934456_100009816987 [0,1,0,0,0,0|3,0,0]=4 704 B16R2.55 CCCc1ncncc1c2ccc(s2)Cl 271570a_100000708867_100009816987 [0,1,0,0,0,0|3,0,0]=4 705 B16R2.55 CCNc1ccccc1c2cc(cs2)C 271570a_100000038307_114873767003 [0,1,0,0,0,0|2,0,0]=3 706 B16R2.55 CCNc1ccccc1c2ccc(o2)C 271570a_100000061910_114873767003 [0,1,0,0,0,0|2,1,0]=4 707 B16R2.55 CCNc1ccccc1c2ccc(o2)C 34a_100015293392_100000210202 [0,1,0,0,0,0|2,1,0]=4 708 B16R2.55 CCNc1ccccc1c2ccc(o2)C 7a_100015293392_100000210202 [0,1,0,0,0,0|2,1,0]=4 709 B16R2.55 CCNc1ccccc1c2ccc(s2)C 271570a_100011934456_114873767003 [0,1,0,0,0,0|2,0,0]=3 710 B16R2.55 CCNc1ccccc1c2ccc(s2)Cl 271570a_100000708867_114873767003 [0,1,0,0,0,0|2,0,0]=3 711 B16R2.55 CCNc1ccccc1c2cnc(s2)C 271570a_100000696845_114873767003 [0,1,0,0,0,0|3,0,0]=4 712 B16R2.55 CCOc1ccccc1c2cc(cs2)C 271570a_100000038307_100000230754 [0,1,0,0,0,0|2,0,0]=3 713 B16R2.55 CCOc1ccccc1c2cc(cs2)C 271570a_100011217569_100009876951 [0,1,0,0,0,0|2,0,0]=3 714 B16R2.55 CCOc1ccccc1c2cc(ns2)C 271570a_100011217569_100009815735 [0,1,0,0,0,0|3,0,0]=4 715 B16R2.55 CCOc1ccccc1c2ccc(o2)C 271570a_100000061910_100000230754 [0,1,0,0,0,0|2,1,0]=4 716 B16R2.55 CCOc1ccccc1c2ccc(s2)Br 271570a_100011217569_100010197418 [0,1,0,0,0,0|2,0,0]=3 717 B16R2.55 CCOc1ccccc1c2ccc(s2)C 271570a_100011217569_100000761539 [0,1,0,0,0,0|2,0,0]=3 718 B16R2.55 CCOc1ccccc1c2ccc(s2)C 271570a_100011934456_100000230754 [0,1,0,0,0,0|2,0,0]=3 719 B16R2.55 CCOc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000230754 [0,1,0,0,0,0|2,0,0]=3 720 B16R2.55 CCOc1ccccc1c2cnc(s2)C 271570a_100000696845_100000230754 [0,1,0,0,0,0|3,0,0]=4 721 B16R2.55 CCOc1ccccc1c2cnc(s2)C 271570a_100011217569_100000764884 [0,1,0,0,0,0|3,0,0]=4 722 B16R2.55 CCOc1ccccc1c2nc(cs2)Br 271570a_100011217569_200016082925 [0,1,0,0,0,0|3,0,0]=4 723 B16R2.55 CCOc1ccccc1c2nc(cs2)C 271570a_100011217569_100011291629 [0,1,0,0,0,0|3,0,0]=4 724 B16R2.55 CCOc1ccccc1c2nc(cs2)N 271570a_100011217569_200015188442 [0,1,0,0,0,0|3,0,0]=4 725 B16R2.55 CCOc1ccccc1c2ncc(s2)C 271570a_100011217569_100000690809 [0,1,0,0,0,0|3,0,0]=4 726 B16R2.55 CCOc1cccnc1c2cc(cs2)C 271570a_100000038307_100011597540 [0,1,0,0,0,0|3,0,0]=4 727 B16R2.55 CCOc1cccnc1c2ccc(s2)C 271570a_100011934456_100011597540 [0,1,0,0,0,0|3,0,0]=4 728 B16R2.55 CCOc1cccnc1c2ccc(s2)Cl 271570a_100000708867_100011597540 [0,1,0,0,0,0|3,0,0]=4 729 B16R2.55 CCOc1ncccc1c2cc(cs2)C 271570a_100000038307_100011465154 [0,1,0,0,0,0|3,0,0]=4 730 B16R2.55 CCOc1ncccc1c2cc(cs2)C 271570a_100000047259_100009876951 [0,1,0,0,0,0|3,0,0]=4 731 B16R2.55 CCOc1ncccc1c2ccc(s2)Br 271570a_100000047259_100010197418 [0,1,0,0,0,0|3,0,0]=4 732 B16R2.55 CCOc1ncccc1c2ccc(s2)C 271570a_100000047259_100000761539 [0,1,0,0,0,0|3,0,0]=4 733 B16R2.55 CCOc1ncccc1c2ccc(s2)C 271570a_100011934456_100011465154 [0,1,0,0,0,0|3,0,0]=4 734 B16R2.55 CCOc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100011465154 [0,1,0,0,0,0|3,0,0]=4 735 B16R2.55 CCSc1ccccc1c2cc(cs2)C 271570a_100000038307_100000230856 [0,1,0,0,0,0|2,0,0]=3 736 B16R2.55 CCSc1ccccc1c2cc(cs2)C 271570a_200000040582_100009876951 [0,1,0,0,0,0|2,0,0]=3 737 B16R2.55 CCSc1ccccc1c2cc(ns2)C 271570a_200000040582_100009815735 [0,1,0,0,0,0|3,0,0]=4 738 B16R2.55 CCSc1ccccc1c2ccc(o2)C 271570a_100000061910_100000230856 [0,1,0,0,0,0|2,1,0]=4 739 B16R2.55 CCSc1ccccc1c2ccc(s2)C 271570a_100011934456_100000230856 [0,1,0,0,0,0|2,0,0]=3 740 B16R2.55 CCSc1ccccc1c2ccc(s2)C 271570a_200000040582_100000761539 [0,1,0,0,0,0|2,0,0]=3 741 B16R2.55 CCSc1ccccc1c2cnc(s2)C 271570a_100000696845_100000230856 [0,1,0,0,0,0|3,0,0]=4 742 B16R2.55 CCSc1ccccc1c2cnc(s2)C 271570a_200000040582_100000764884 [0,1,0,0,0,0|3,0,0]=4 743 B16R2.55 CCSc1ccccc1c2nc(cs2)Br 271570a_200000040582_200016082925 [0,1,0,0,0,0|3,0,0]=4 744 B16R2.55 CCSc1ccccc1c2nc(cs2)C 271570a_200000040582_100011291629 [0,1,0,0,0,0|3,0,0]=4 745 B16R2.55 CCSc1ccccc1c2nc(cs2)N 271570a_200000040582_200015188442 [0,1,0,0,0,0|3,0,0]=4 746 B16R2.55 CCSc1ccccc1c2ncc(s2)C 271570a_200000040582_100000690809 [0,1,0,0,0,0|3,0,0]=4 747 B16R2.55 CNCc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000184654 [0,1,0,0,0,0|1,0,1]=3 748 B16R2.55 CNCc1ccccc1c2cc([nH]n2)C 271570a_100009872134_100000184654 [0,1,0,0,0,0|2,0,0]=3 749 B16R2.55 CNCc1ccccc1c2cc(cs2)C 271570a_100000038307_100000184654 [0,1,0,0,0,0|0,0,0]=1 750 B16R2.55 CNCc1ccccc1c2ccc(o2)C 207a_100102657272_200000035963 [0,1,0,0,0,0|0,1,0]=2 751 B16R2.55 CNCc1ccccc1c2ccc(o2)C 270004a_106832991635_200000035963 [0,1,0,0,0,0|0,1,0]=2 752 B16R2.55 CNCc1ccccc1c2ccc(o2)C 271570a_100000061910_100000184654 [0,1,0,0,0,0|0,1,0]=2 753 B16R2.55 CNCc1ccccc1c2ccc(s2)C 271570a_100011934456_100000184654 [0,1,0,0,0,0|0,0,0]=1 754 B16R2.55 CNCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000184654 [0,1,0,0,0,0|0,0,0]=1 755 B16R2.55 CNCc1ccccc1c2ccn(c2)C 271570a_100010172022_100000184654 [0,1,0,0,0,0|2,0,0]=3 756 B16R2.55 CNCc1ccccc1c2ccn(n2)C 26a_100102657272_100012177179 [0,1,0,0,0,0|2,0,0]=3 757 B16R2.55 CNCc1ccccc1c2ccn(n2)C 271570a_100012348833_100000184654 [0,1,0,0,0,0|2,0,0]=3 758 B16R2.55 CNCc1ccccc1c2cnc(s2)C 271570a_100000696845_100000184654 [0,1,0,0,0,0|1,0,0]=2 759 B16R2.55 CNCc1ccccc1c2cnn(c2)C 271570a_100000685319_100000184654 [0,1,0,0,0,0|3,0,0]=4 760 B16R2.55 CNCc1ccccc1c2csc(c2)C 271570a_100000699828_100000184654 [0,1,0,0,0,0|2,0,0]=3 761 B16R2.55 CNCc1ccccc1c2nc(no2)C 2230a_106832991635_100010202748 [0,1,0,0,0,0|2,1,0]=4 762 B16R2.55 CNCc1ccccc1c2nc(no2)C 34a_100102657272_100010202748 [0,1,0,0,0,0|2,1,0]=4 763 B16R2.55 CNCc1ccccc1c2nc(no2)C 7a_106832991635_100010202748 [0,1,0,0,0,0|2,1,0]=4 764 B16R2.55 CNCc1ccccc1c2noc(n2)C 270196a_100000225633_100000070787 [0,1,0,0,0,0|3,0,0]=4 765 B16R2.55 CNCc1ccccc1c2noc(n2)O 270196a_100000225633_100015183105 [0,1,0,0,0,0|3,0,0]=4 766 B16R2.55 CNCc1cccnc1C2=CC(=O)CC2 271570a_100010737933_103496529121 [0,1,0,0,0,0|2,0,1]=4 767 B16R2.55 CNCc1cccnc1c2cc([nH]n2)C 271570a_100009872134_103496529121 [0,1,0,0,0,0|3,0,0]=4 768 B16R2.55 CNCc1cccnc1c2cc(cs2)C 271570a_100000038307_103496529121 [0,1,0,0,0,0|1,0,0]=2 769 B16R2.55 CNCc1cccnc1c2ccc(o2)C 271570a_100000061910_103496529121 [0,1,0,0,0,0|1,1,0]=3 770 B16R2.55 CNCc1cccnc1c2ccc(s2)C 271570a_100011934456_103496529121 [0,1,0,0,0,0|1,0,0]=2 771 B16R2.55 CNCc1cccnc1c2ccc(s2)Cl 271570a_100000708867_103496529121 [0,1,0,0,0,0|1,0,0]=2 772 B16R2.55 CNCc1cccnc1c2ccn(c2)C 271570a_100010172022_103496529121 [0,1,0,0,0,0|3,0,0]=4 773 B16R2.55 CNCc1cccnc1c2ccn(n2)C 271570a_100012348833_103496529121 [0,1,0,0,0,0|3,0,0]=4 774 B16R2.55 CNCc1cccnc1c2cnc(s2)C 271570a_100000696845_103496529121 [0,1,0,0,0,0|2,0,0]=3 775 B16R2.55 CNCc1cccnc1c2csc(c2)C 271570a_100000699828_103496529121 [0,1,0,0,0,0|3,0,0]=4 776 B16R2.55 COCc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100011493684 [0,1,0,0,0,0|2,0,1]=4 777 B16R2.55 COCc1ccccc1c2c[nH]c(n2)C 271570a_100011216666_100009814057 [0,1,0,0,0,0|3,0,0]=4 778 B16R2.55 COCc1ccccc1c2cc([nH]n2)C 271570a_100009872134_100011493684 [0,1,0,0,0,0|3,0,0]=4 779 B16R2.55 COCc1ccccc1c2cc([nH]n2)C 271570a_100011216666_100015199547 [0,1,0,0,0,0|3,0,0]=4 780 B16R2.55 COCc1ccccc1c2cc([nH]n2)N 271570a_100011216666_100009822546 [0,1,0,0,0,0|3,0,0]=4 781 B16R2.55 COCc1ccccc1c2cc(cs2)C 271570a_100000038307_100011493684 [0,1,0,0,0,0|1,0,0]=2 782 B16R2.55 COCc1ccccc1c2cc(cs2)C 271570a_100011216666_100009876951 [0,1,0,0,0,0|1,0,0]=2 783 B16R2.55 COCc1ccccc1c2cc(n[nH]2)Br 271570a_100011216666_100160470719 [0,1,0,0,0,0|3,0,0]=4 784 B16R2.55 COCc1ccccc1c2cc(ns2)C 271570a_100011216666_100009815735 [0,1,0,0,0,0|2,0,0]=3 785 B16R2.55 COCc1ccccc1c2ccc(o2)C 271570a_100000061910_100011493684 [0,1,0,0,0,0|1,1,0]=3 786 B16R2.55 COCc1ccccc1c2ccc(s2)Br 271570a_100011216666_100010197418 [0,1,0,0,0,0|1,0,0]=2 787 B16R2.55 COCc1ccccc1c2ccc(s2)C 271570a_100011216666_100000761539 [0,1,0,0,0,0|1,0,0]=2 788 B16R2.55 COCc1ccccc1c2ccc(s2)C 271570a_100011934456_100011493684 [0,1,0,0,0,0|1,0,0]=2 789 B16R2.55 COCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100011493684 [0,1,0,0,0,0|1,0,0]=2 790 B16R2.55 COCc1ccccc1c2ccn(c2)C 271570a_100010172022_100011493684 [0,1,0,0,0,0|3,0,0]=4 791 B16R2.55 COCc1ccccc1c2ccn(n2)C 271570a_100011216666_100000752436 [0,1,0,0,0,0|3,0,0]=4 792 B16R2.55 COCc1ccccc1c2ccn(n2)C 271570a_100012348833_100011493684 [0,1,0,0,0,0|3,0,0]=4 793 B16R2.55 COCc1ccccc1c2cn(cn2)C 271570a_100011216666_100000040308 [0,1,0,0,0,0|3,0,0]=4 794 B16R2.55 COCc1ccccc1c2cnc(s2)C 271570a_100000696845_100011493684 [0,1,0,0,0,0|2,0,0]=3 795 B16R2.55 COCc1ccccc1c2cnc(s2)C 271570a_100011216666_100000764884 [0,1,0,0,0,0|2,0,0]=3 796 B16R2.55 COCc1ccccc1c2csc(c2)C 271570a_100000699828_100011493684 [0,1,0,0,0,0|3,0,0]=4 797 B16R2.55 COCc1ccccc1c2csc(c2)C 271570a_100011216666_100000759034 [0,1,0,0,0,0|3,0,0]=4 798 B16R2.55 COCc1ccccc1c2csc(n2)C 271570a_100011216666_100011934587 [0,1,0,0,0,0|3,0,0]=4 799 B16R2.55 COCc1ccccc1c2csc(n2)N 271570a_100011216666_100011998049 [0,1,0,0,0,0|3,0,0]=4 800 B16R2.55 COCc1ccccc1c2nc(c[nH]2)C 271570a_100011216666_100161115468 [0,1,0,0,0,0|3,0,0]=4 801 B16R2.55 COCc1ccccc1c2nc(cs2)Br 271570a_100011216666_200016082925 [0,1,0,0,0,0|2,0,0]=3 802 B16R2.55 COCc1ccccc1c2nc(cs2)C 271570a_100011216666_100011291629 [0,1,0,0,0,0|2,0,0]=3 803 B16R2.55 COCc1ccccc1c2nc(cs2)N 271570a_100011216666_200015188442 [0,1,0,0,0,0|2,0,0]=3 804 B16R2.55 COCc1ccccc1c2nc(ns2)C 271570a_100011216666_100000709739 [0,1,0,0,0,0|3,0,0]=4 805 B16R2.55 COCc1ccccc1c2ncc(s2)C 271570a_100011216666_100000690809 [0,1,0,0,0,0|2,0,0]=3 806 B16R2.55 COCc1ccccc1c2nnc(s2)C 271570a_100011216666_100000686958 [0,1,0,0,0,0|3,0,0]=4 807 B16R2.55 COCc1ccccc1c2nnc(s2)N 271570a_100011216666_100000738278 [0,1,0,0,0,0|3,0,0]=4 808 B16R2.55 CSCc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000148299 [0,1,0,0,0,0|2,0,1]=4 809 B16R2.55 CSCc1ccccc1c2cc([nH]n2)C 271570a_100009872134_100000148299 [0,1,0,0,0,0|3,0,0]=4 810 B16R2.55 CSCc1ccccc1c2cc(cs2)C 271570a_100000038307_100000148299 [0,1,0,0,0,0|1,0,0]=2 811 B16R2.55 CSCc1ccccc1c2ccc(o2)C 271570a_100000061910_100000148299 [0,1,0,0,0,0|1,1,0]=3 812 B16R2.55 CSCc1ccccc1c2ccc(s2)C 271570a_100011934456_100000148299 [0,1,0,0,0,0|1,0,0]=2 813 B16R2.55 CSCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000148299 [0,1,0,0,0,0|1,0,0]=2 814 B16R2.55 CSCc1ccccc1c2ccn(c2)C 271570a_100010172022_100000148299 [0,1,0,0,0,0|3,0,0]=4 815 B16R2.55 CSCc1ccccc1c2ccn(n2)C 271570a_100012348833_100000148299 [0,1,0,0,0,0|3,0,0]=4 816 B16R2.55 CSCc1ccccc1c2cnc(s2)C 271570a_100000696845_100000148299 [0,1,0,0,0,0|2,0,0]=3 817 B16R2.55 CSCc1ccccc1c2csc(c2)C 271570a_100000699828_100000148299 [0,1,0,0,0,0|3,0,0]=4 818 B16R2.55 Cc1cc(cs1)c2ccccc2CNN 271570a_100000699828_200016993956 [0,1,0,0,0,0|3,0,0]=4 819 B16R2.55 Cc1cc(n[nH]1)c2ccccc2CNN 271570a_100009872134_200016993956 [0,1,0,0,0,0|3,0,0]=4 820 B16R2.55 Cc1cc(sn1)c2ccccc2CC#N 271570a_100000066961_100009815735 [0,1,0,0,0,0|3,0,0]=4 821 B16R2.55 Cc1ccc(o1)c2ccccc2CC#N 271570a_100000061910_100000033512 [0,1,0,0,0,0|2,1,0]=4 822 B16R2.55 Cc1ccc(o1)c2ccccc2CCN 271570a_100000061910_100000747383 [0,1,0,0,0,0|2,1,0]=4 823 B16R2.55 Cc1ccc(o1)c2ccccc2CCO 271570a_100000061910_100000731337 [0,1,0,0,0,0|2,1,0]=4 824 B16R2.55 Cc1ccc(o1)c2ccccc2CNN 271570a_100000061910_200016993956 [0,1,0,0,0,0|1,1,0]=3 825 B16R2.55 Cc1ccc(s1)c2ccccc2CC#N 271570a_100000066961_100000761539 [0,1,0,0,0,0|2,0,0]=3 826 B16R2.55 Cc1ccc(s1)c2ccccc2CC#N 271570a_100011934456_100000033512 [0,1,0,0,0,0|2,0,0]=3 827 B16R2.55 Cc1ccc(s1)c2ccccc2CCN 271570a_100011934456_100000747383 [0,1,0,0,0,0|2,0,0]=3 828 B16R2.55 Cc1ccc(s1)c2ccccc2CCO 271570a_100011934456_100000731337 [0,1,0,0,0,0|2,0,0]=3 829 B16R2.55 Cc1ccc(s1)c2ccccc2CNN 271570a_100011934456_200016993956 [0,1,0,0,0,0|1,0,0]=2 830 B16R2.55 Cc1ccc(s1)c2ccccc2N=[N+]=[N-] 271570a_100011934456_100000762926 [0,1,0,0,0,0|2,0,1]=4 831 B16R2.55 Cc1ccc(s1)c2ccccc2NC=O 271570a_200000040256_100000761539 [0,1,0,0,0,0|3,0,0]=4 832 B16R2.55 Cc1ccc(s1)c2cccnc2CC#N 271570a_100011934456_100011824415 [0,1,0,0,0,0|3,0,0]=4 833 B16R2.55 Cc1ccc(s1)c2ncccc2CC#N 271570a_100011934456_100000096391 [0,1,0,0,0,0|3,0,0]=4 834 B16R2.55 Cc1cnc(s1)c2ccccc2CC#N 271570a_100000066961_100000690809 [0,1,0,0,0,0|3,0,0]=4 835 B16R2.55 Cc1csc(c1)c2ccccc2CC#N 271570a_100000038307_100000033512 [0,1,0,0,0,0|2,0,0]=3 836 B16R2.55 Cc1csc(c1)c2ccccc2CC#N 271570a_100000066961_100009876951 [0,1,0,0,0,0|2,0,0]=3 837 B16R2.55 Cc1csc(c1)c2ccccc2CCN 271570a_100000038307_100000747383 [0,1,0,0,0,0|2,0,0]=3 838 B16R2.55 Cc1csc(c1)c2ccccc2CCO 271570a_100000038307_100000731337 [0,1,0,0,0,0|2,0,0]=3 839 B16R2.55 Cc1csc(c1)c2ccccc2CNN 271570a_100000038307_200016993956 [0,1,0,0,0,0|1,0,0]=2 840 B16R2.55 Cc1csc(c1)c2ccccc2N=[N+]=[N-] 271570a_100000038307_100000762926 [0,1,0,0,0,0|2,0,1]=4 841 B16R2.55 Cc1csc(c1)c2ccccc2NC=O 271570a_200000040256_100009876951 [0,1,0,0,0,0|3,0,0]=4 842 B16R2.55 Cc1csc(c1)c2cccnc2CC#N 271570a_100000038307_100011824415 [0,1,0,0,0,0|3,0,0]=4 843 B16R2.55 Cc1csc(c1)c2ncccc2CC#N 271570a_100000038307_100000096391 [0,1,0,0,0,0|3,0,0]=4 844 B16R2.55 Cc1csc(n1)c2ccccc2CC#N 271570a_100000066961_100011291629 [0,1,0,0,0,0|3,0,0]=4 845 B16R2.55 Cc1ncc(s1)c2ccccc2CC#N 271570a_100000066961_100000764884 [0,1,0,0,0,0|3,0,0]=4 846 B16R2.55 Cc1ncc(s1)c2ccccc2CC#N 271570a_100000696845_100000033512 [0,1,0,0,0,0|3,0,0]=4 847 B16R2.55 Cc1ncc(s1)c2ccccc2CCN 271570a_100000696845_100000747383 [0,1,0,0,0,0|3,0,0]=4 848 B16R2.55 Cc1ncc(s1)c2ccccc2CCO 271570a_100000696845_100000731337 [0,1,0,0,0,0|3,0,0]=4 849 B16R2.55 Cc1ncc(s1)c2ccccc2CNN 271570a_100000696845_200016993956 [0,1,0,0,0,0|2,0,0]=3 850 B16R2.55 Cn1ccc(c1)c2ccccc2CNN 271570a_100010172022_200016993956 [0,1,0,0,0,0|3,0,0]=4 851 B16R2.55 Cn1ccc(n1)c2ccccc2CNN 271570a_100012348833_200016993956 [0,1,0,0,0,0|3,0,0]=4 852 B16R2.55 N#CCc1ccccc1c2ccc(s2)Br 271570a_100000066961_100010197418 [0,1,0,0,0,0|2,0,0]=3 853 B16R2.55 N#CCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000033512 [0,1,0,0,0,0|2,0,0]=3 854 B16R2.55 N#CCc1ccccc1c2nc(cs2)Br 271570a_100000066961_200016082925 [0,1,0,0,0,0|3,0,0]=4 855 B16R2.55 N#CCc1ccccc1c2nc(cs2)N 271570a_100000066961_200015188442 [0,1,0,0,0,0|3,0,0]=4 856 B16R2.55 N#CCc1cccnc1c2ccc(s2)Cl 271570a_100000708867_100000096391 [0,1,0,0,0,0|3,0,0]=4 857 B16R2.55 N#CCc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100011824415 [0,1,0,0,0,0|3,0,0]=4 858 B16R2.55 NCCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000747383 [0,1,0,0,0,0|2,0,0]=3 859 B16R2.55 NNCc1ccccc1C2=CC(=O)CC2 271570a_100010737933_200016993956 [0,1,0,0,0,0|2,0,1]=4 860 B16R2.55 NNCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200016993956 [0,1,0,0,0,0|1,0,0]=2 861 B16R2.55 O=CNc1ccccc1c2ccc(s2)Br 271570a_200000040256_100010197418 [0,1,0,0,0,0|3,0,0]=4 862 B16R2.55 OCCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000731337 [0,1,0,0,0,0|2,0,0]=3 863 B16R2.111 C#CCNc1ccccc1c2ccco2 34a_200020605208_100000184674 [0,1,0,0,0,0|1,1,1]=4 864 B16R2.111 C#CCOc1ccccc1c2ccco2 271570a_100120463016_100009814098 [0,1,0,0,0,0|1,1,1]=4 865 B16R2.111 C#CCOc1ccccc1c2cccs2 271570a_100120463016_100011215356 [0,1,0,0,0,0|1,0,1]=3 866 B16R2.111 C#CCOc1ccccc1c2cncs2 271570a_100120463016_100011934649 [0,1,0,0,0,0|2,0,1]=4 867 B16R2.111 C#CCOc1ccccc1c2nccs2 271570a_100120463016_100000211983 [0,1,0,0,0,0|2,0,1]=4 868 B16R2.111 C#CCSc1ccccc1c2nccs2 62a_100000038162_103496549459 [0,1,0,0,0,0|2,0,1]=4 869 B16R2.111 C=CCNc1ccccc1c2ccco2 34a_200020605208_100015514636 [0,1,0,0,0,0|1,1,1]=4 870 B16R2.111 C=CCOc1ccccc1c2ccco2 271570a_100011263033_100009814098 [0,1,0,0,0,0|1,1,1]=4 871 B16R2.111 C=CCOc1ccccc1c2cccs2 271570a_100011263033_100011215356 [0,1,0,0,0,0|1,0,1]=3 872 B16R2.111 C=CCOc1ccccc1c2cncs2 271570a_100011263033_100011934649 [0,1,0,0,0,0|2,0,1]=4 873 B16R2.111 C=CCOc1ccccc1c2nccs2 271570a_100011263033_100000211983 [0,1,0,0,0,0|2,0,1]=4 874 B16R2.111 C=CCSc1ccccc1c2nccs2 62a_100000210623_103496549459 [0,1,0,0,0,0|2,0,1]=4 875 B16R2.111 C=CCSc1ccccc1c2nccs2 62a_103496549459_100000210623 [0,1,0,0,0,0|2,0,1]=4 876 B16R2.111 CCCCc1ccccc1c2cc[nH]n2 271570a_100020621405_100011216357 [0,1,0,0,0,0|3,0,0]=4 877 B16R2.111 CCCCc1ccccc1c2ccno2 271570a_100020621405_100011218344 [0,1,0,0,0,0|2,1,0]=4 878 B16R2.111 CCCCc1ccccc1c2cnco2 271570a_100020621405_100009816723 [0,1,0,0,0,0|2,1,0]=4 879 B16R2.111 CCCCc1ccccc1c2cocn2 271570a_100020621405_100010198669 [0,1,0,0,0,0|3,0,0]=4 880 B16R2.111 CCCCc1ccccc1c2ncc[nH]2 271570a_100020621405_100011532729 [0,1,0,0,0,0|3,0,0]=4 881 B16R2.111 CCCCc1ccccc1c2ncco2 271570a_100020621405_100010188011 [0,1,0,0,0,0|2,1,0]=4 882 B16R2.111 CCCCc1ccccc1c2nccs2 271570a_100020621405_103496549459 [0,1,0,0,0,0|2,0,0]=3 883 B16R2.111 CCCCc1ccccc1n2cccc2 271570a_100020621405_200000178846 [0,1,0,0,0,0|3,0,0]=4 884 B16R2.111 CCCCc1ccccc1n2cccn2 271570a_100020621405_100011313175 [0,1,0,0,0,0|3,0,0]=4 885 B16R2.111 CCCCc1ncncc1c2cccs2 271570a_100000742291_200009816989 [0,1,0,0,0,0|3,0,0]=4 886 B16R2.111 CCCNc1ccccc1c2ccco2 34a_200020605208_100000210303 [0,1,0,0,0,0|1,1,0]=3 887 B16R2.111 CCCNc1ccccc1n2cccc2 34a_100000187513_100000210303 [0,1,0,0,0,0|3,0,0]=4 888 B16R2.111 CCCNc1ccccc1n2cccn2 2230a_100000738828_100000210303 [0,1,0,0,0,0|3,0,0]=4 889 B16R2.111 CCCNc1ccccc1n2cccn2 34a_100000738828_100000210303 [0,1,0,0,0,0|3,0,0]=4 890 B16R2.111 CCCOc1ccccc1c2c[nH]cn2 271570a_100011216077_100000756875 [0,1,0,0,0,0|3,0,0]=4 891 B16R2.111 CCCOc1ccccc1c2cc[nH]c2 271570a_100000102155_100000174042 [0,1,0,0,0,0|3,0,0]=4 892 B16R2.111 CCCOc1ccccc1c2cc[nH]n2 271570a_100000062414_100000174042 [0,1,0,0,0,0|3,0,0]=4 893 B16R2.111 CCCOc1ccccc1c2cc[nH]n2 271570a_100011216077_100000062575 [0,1,0,0,0,0|3,0,0]=4 894 B16R2.111 CCCOc1ccccc1c2ccco2 271570a_100000750936_100000174042 [0,1,0,0,0,0|1,1,0]=3 895 B16R2.111 CCCOc1ccccc1c2ccco2 271570a_100011216077_100009814098 [0,1,0,0,0,0|1,1,0]=3 896 B16R2.111 CCCOc1ccccc1c2cccs2 271570a_100000742291_100000174042 [0,1,0,0,0,0|1,0,0]=2 897 B16R2.111 CCCOc1ccccc1c2cccs2 271570a_100011216077_100011215356 [0,1,0,0,0,0|1,0,0]=2 898 B16R2.111 CCCOc1ccccc1c2ccno2 34a_100000031527_100000210303 [0,1,0,0,0,0|2,1,0]=4 899 B16R2.111 CCCOc1ccccc1c2ccoc2 271570a_100011216077_100011215275 [0,1,0,0,0,0|3,0,0]=4 900 B16R2.111 CCCOc1ccccc1c2ccoc2 271570a_100011218838_100000174042 [0,1,0,0,0,0|3,0,0]=4 901 B16R2.111 CCCOc1ccccc1c2ccsc2 271570a_100011216077_100000738268 [0,1,0,0,0,0|3,0,0]=4 902 B16R2.111 CCCOc1ccccc1c2ccsc2 271570a_100011934443_100000174042 [0,1,0,0,0,0|3,0,0]=4 903 B16R2.111 CCCOc1ccccc1c2ccsc2 34a_100011997965_100000210303 [0,1,0,0,0,0|3,0,0]=4 904 B16R2.111 CCCOc1ccccc1c2ccsc2 7a_100011997965_100000210303 [0,1,0,0,0,0|3,0,0]=4 905 B16R2.111 CCCOc1ccccc1c2ccsn2 271570a_100011216077_100009818082 [0,1,0,0,0,0|3,0,0]=4 906 B16R2.111 CCCOc1ccccc1c2cnco2 271570a_100011216077_100020591547 [0,1,0,0,0,0|2,1,0]=4 907 B16R2.111 CCCOc1ccccc1c2cncs2 271570a_100010231675_100000174042 [0,1,0,0,0,0|2,0,0]=3 908 B16R2.111 CCCOc1ccccc1c2cncs2 271570a_100011216077_100011934649 [0,1,0,0,0,0|2,0,0]=3 909 B16R2.111 CCCOc1ccccc1c2cscn2 271570a_100011216077_100000751502 [0,1,0,0,0,0|3,0,0]=4 910 B16R2.111 CCCOc1ccccc1c2ncc[nH]2 271570a_100011216077_100025796157 [0,1,0,0,0,0|3,0,0]=4 911 B16R2.111 CCCOc1ccccc1c2ncc[nH]2 271570a_100016988920_100000174042 [0,1,0,0,0,0|3,0,0]=4 912 B16R2.111 CCCOc1ccccc1c2ncc[nH]2 34a_200000089398_100000210303 [0,1,0,0,0,0|3,0,0]=4 913 B16R2.111 CCCOc1ccccc1c2ncco2 271570a_100011216077_100011787736 [0,1,0,0,0,0|2,1,0]=4 914 B16R2.111 CCCOc1ccccc1c2nccs2 271570a_100011216077_100000211983 [0,1,0,0,0,0|2,0,0]=3 915 B16R2.111 CCCOc1ccccc1c2ncns2 271570a_100011216077_100000693119 [0,1,0,0,0,0|3,0,0]=4 916 B16R2.111 CCCOc1ccccc1c2nncs2 271570a_100011216077_100000739804 [0,1,0,0,0,0|3,0,0]=4 917 B16R2.111 CCCOc1ncccc1c2ccco2 271570a_100000047057_100009814098 [0,1,0,0,0,0|2,1,0]=4 918 B16R2.111 CCCOc1ncccc1c2ccco2 271570a_100000750936_200011465209 [0,1,0,0,0,0|2,1,0]=4 919 B16R2.111 CCCOc1ncccc1c2cccs2 271570a_100000047057_100011215356 [0,1,0,0,0,0|2,0,0]=3 920 B16R2.111 CCCOc1ncccc1c2cccs2 271570a_100000742291_200011465209 [0,1,0,0,0,0|2,0,0]=3 921 B16R2.111 CCCOc1ncccc1c2cncs2 271570a_100000047057_100011934649 [0,1,0,0,0,0|3,0,0]=4 922 B16R2.111 CCCOc1ncccc1c2cncs2 271570a_100010231675_200011465209 [0,1,0,0,0,0|3,0,0]=4 923 B16R2.111 CCCOc1ncccc1c2nccs2 271570a_100000047057_100000211983 [0,1,0,0,0,0|3,0,0]=4 924 B16R2.111 CCCSc1ccccc1c2cc[nH]n2 62a_100011216357_100000210303 [0,1,0,0,0,0|3,0,0]=4 925 B16R2.111 CCCSc1ccccc1c2ccno2 62a_100000210303_100011218344 [0,1,0,0,0,0|2,1,0]=4 926 B16R2.111 CCCSc1ccccc1c2ccno2 62a_100011218344_100000210303 [0,1,0,0,0,0|2,1,0]=4 927 B16R2.111 CCCSc1ccccc1c2cnco2 62a_100000210303_100009816723 [0,1,0,0,0,0|2,1,0]=4 928 B16R2.111 CCCSc1ccccc1c2cnco2 62a_100009816723_100000210303 [0,1,0,0,0,0|2,1,0]=4 929 B16R2.111 CCCSc1ccccc1c2cocn2 62a_100000210303_100010198669 [0,1,0,0,0,0|3,0,0]=4 930 B16R2.111 CCCSc1ccccc1c2cocn2 62a_100010198669_100000210303 [0,1,0,0,0,0|3,0,0]=4 931 B16R2.111 CCCSc1ccccc1c2ncc[nH]2 62a_100000210303_100011532729 [0,1,0,0,0,0|3,0,0]=4 932 B16R2.111 CCCSc1ccccc1c2ncc[nH]2 62a_100011532729_100000210303 [0,1,0,0,0,0|3,0,0]=4 933 B16R2.111 CCCSc1ccccc1c2ncco2 62a_100000210303_100010188011 [0,1,0,0,0,0|2,1,0]=4 934 B16R2.111 CCCSc1ccccc1c2ncco2 62a_100010188011_100000210303 [0,1,0,0,0,0|2,1,0]=4 935 B16R2.111 CCCSc1ccccc1c2nccs2 62a_100000210303_103496549459 [0,1,0,0,0,0|2,0,0]=3 936 B16R2.111 CCCSc1ccccc1c2nccs2 62a_103496549459_100000210303 [0,1,0,0,0,0|2,0,0]=3 937 B16R2.111 CCCSc1ccccc1n2cccc2 62a_100000210303_200000178846 [0,1,0,0,0,0|3,0,0]=4 938 B16R2.111 CCCSc1ccccc1n2cccc2 62a_200000178846_100000210303 [0,1,0,0,0,0|3,0,0]=4 939 B16R2.111 CCCSc1ccccc1n2cccn2 62a_100011313175_100000210303 [0,1,0,0,0,0|3,0,0]=4 940 B16R2.111 CCNCc1ccccc1c2ccco2 207a_100015525214_100011217036 [0,1,0,0,0,0|0,1,0]=2 941 B16R2.111 CCNCc1ccccc1c2ccco2 270004a_100015525214_100011217036 [0,1,0,0,0,0|0,1,0]=2 942 B16R2.111 CCNCc1ccccc1c2ccco2 34a_100161156520_100000210202 [0,1,0,0,0,0|0,1,0]=2 943 B16R2.111 CCNCc1ccccc1c2cccs2 207a_100015525214_200011191916 [0,1,0,0,0,0|0,0,0]=1 944 B16R2.111 CCNCc1ccccc1c2cccs2 270004a_100015525214_200011191916 [0,1,0,0,0,0|0,0,0]=1 945 B16R2.111 CCNCc1ccccc1c2cccs2 34a_100016995785_100000210202 [0,1,0,0,0,0|0,0,0]=1 946 B16R2.111 CCNCc1ccccc1c2ccsc2 207a_100015525214_200011217932 [0,1,0,0,0,0|2,0,0]=3 947 B16R2.111 CCNCc1ccccc1c2ccsc2 270004a_100015525214_200011217932 [0,1,0,0,0,0|2,0,0]=3 948 B16R2.111 CCNCc1ccccc1c2nccs2 207a_100015525214_100000068343 [0,1,0,0,0,0|1,0,0]=2 949 B16R2.111 CCNCc1ccccc1c2nccs2 270004a_100015525214_100000068343 [0,1,0,0,0,0|1,0,0]=2 950 B16R2.111 CCNCc1ccccc1n2cccc2 207a_100015525214_100000050373 [0,1,0,0,0,0|2,0,0]=3 951 B16R2.111 CCNCc1ccccc1n2cccc2 270004a_100015525214_100000050373 [0,1,0,0,0,0|2,0,0]=3 952 B16R2.111 CCNCc1ccccc1n2cccn2 207a_100015525214_100102946334 [0,1,0,0,0,0|2,0,0]=3 953 B16R2.111 CCNCc1ccccc1n2cccn2 270004a_100015525214_100102946334 [0,1,0,0,0,0|2,0,0]=3 954 B16R2.111 CCNCc1ccccc1n2cccn2 34a_100000743937_100000210202 [0,1,0,0,0,0|2,0,0]=3 955 B16R2.111 CCNCc1ccccc1n2ccnc2 207a_100015525214_100000748775 [0,1,0,0,0,0|3,0,0]=4 956 B16R2.111 CCNCc1ccccc1n2ccnc2 270004a_100015525214_100000748775 [0,1,0,0,0,0|3,0,0]=4 957 B16R2.111 CCNCc1ccccc1n2cncn2 207a_100015525214_100000744974 [0,1,0,0,0,0|3,0,0]=4 958 B16R2.111 CCNCc1ccccc1n2cncn2 2230a_100011233637_100000210202 [0,1,0,0,0,0|3,0,0]=4 959 B16R2.111 CCNCc1ccccc1n2cncn2 2230a_100015525214_200011247420 [0,1,0,0,0,0|3,0,0]=4 960 B16R2.111 CCNCc1ccccc1n2cncn2 270004a_100015525214_100000744974 [0,1,0,0,0,0|3,0,0]=4 961 B16R2.111 CCOCc1ccccc1c2cc[nH]c2 271570a_100000102155_200011493690 [0,1,0,0,0,0|3,0,0]=4 962 B16R2.111 CCOCc1ccccc1c2cc[nH]n2 271570a_100000062414_200011493690 [0,1,0,0,0,0|3,0,0]=4 963 B16R2.111 CCOCc1ccccc1c2ccco2 271570a_100000750936_200011493690 [0,1,0,0,0,0|1,1,0]=3 964 B16R2.111 CCOCc1ccccc1c2ccco2 34a_100000067684_100000210202 [0,1,0,0,0,0|1,1,0]=3 965 B16R2.111 CCOCc1ccccc1c2ccco2 7a_100000067684_100000210202 [0,1,0,0,0,0|1,1,0]=3 966 B16R2.111 CCOCc1ccccc1c2cccs2 271570a_100000742291_200011493690 [0,1,0,0,0,0|1,0,0]=2 967 B16R2.111 CCOCc1ccccc1c2cccs2 34a_100000067680_100000210202 [0,1,0,0,0,0|1,0,0]=2 968 B16R2.111 CCOCc1ccccc1c2cccs2 7a_100000067680_100000210202 [0,1,0,0,0,0|1,0,0]=2 969 B16R2.111 CCOCc1ccccc1c2ccoc2 271570a_100011218838_200011493690 [0,1,0,0,0,0|3,0,0]=4 970 B16R2.111 CCOCc1ccccc1c2ccsc2 271570a_100011934443_200011493690 [0,1,0,0,0,0|3,0,0]=4 971 B16R2.111 CCOCc1ccccc1c2cncs2 271570a_100010231675_200011493690 [0,1,0,0,0,0|2,0,0]=3 972 B16R2.111 CCOCc1ccccc1c2ncc[nH]2 271570a_100016988920_200011493690 [0,1,0,0,0,0|3,0,0]=4 973 B16R2.111 CCOCc1ccccc1n2cccc2 34a_200000179416_100000210202 [0,1,0,0,0,0|3,0,0]=4 974 B16R2.111 CCOCc1ccccc1n2cccc2 7a_200000179416_100000210202 [0,1,0,0,0,0|3,0,0]=4 975 B16R2.111 CCOCc1ccccc1n2cccn2 34a_200011247278_100000210202 [0,1,0,0,0,0|3,0,0]=4 976 B16R2.111 CCOCc1ccccc1n2cccn2 7a_200011247278_100000210202 [0,1,0,0,0,0|3,0,0]=4 977 B16R2.111 CCSCc1ccccc1c2cc[nH]c2 271570a_100000102155_200000173030 [0,1,0,0,0,0|3,0,0]=4 978 B16R2.111 CCSCc1ccccc1c2cc[nH]n2 271570a_100000062414_200000173030 [0,1,0,0,0,0|3,0,0]=4 979 B16R2.111 CCSCc1ccccc1c2ccco2 271570a_100000750936_200000173030 [0,1,0,0,0,0|1,1,0]=3 980 B16R2.111 CCSCc1ccccc1c2cccs2 271570a_100000742291_200000173030 [0,1,0,0,0,0|1,0,0]=2 981 B16R2.111 CCSCc1ccccc1c2ccoc2 271570a_100011218838_200000173030 [0,1,0,0,0,0|3,0,0]=4 982 B16R2.111 CCSCc1ccccc1c2ccsc2 271570a_100011934443_200000173030 [0,1,0,0,0,0|3,0,0]=4 983 B16R2.111 CCSCc1ccccc1c2cncs2 271570a_100010231675_200000173030 [0,1,0,0,0,0|2,0,0]=3 984 B16R2.111 CCSCc1ccccc1c2ncc[nH]2 271570a_100016988920_200000173030 [0,1,0,0,0,0|3,0,0]=4 985 B16R2.111 COCNc1ccccc1n2cccn2 2230a_100000738828_100000766300 [0,1,0,0,0,0|3,0,0]=4 986 B16R2.111 COCOc1ccccc1c2c[nH]cn2 271570a_100012001573_100000756875 [0,1,0,0,0,0|3,0,0]=4 987 B16R2.111 COCOc1ccccc1c2cc[nH]c2 271570a_100000102155_200000230759 [0,1,0,0,0,0|3,0,0]=4 988 B16R2.111 COCOc1ccccc1c2cc[nH]n2 271570a_100000062414_200000230759 [0,1,0,0,0,0|3,0,0]=4 989 B16R2.111 COCOc1ccccc1c2cc[nH]n2 271570a_100012001573_100000062575 [0,1,0,0,0,0|3,0,0]=4 990 B16R2.111 COCOc1ccccc1c2ccco2 271570a_100000750936_200000230759 [0,1,0,0,0,0|1,1,0]=3 991 B16R2.111 COCOc1ccccc1c2ccco2 271570a_100012001573_100009814098 [0,1,0,0,0,0|1,1,0]=3 992 B16R2.111 COCOc1ccccc1c2cccs2 271570a_100000742291_200000230759 [0,1,0,0,0,0|1,0,0]=2 993 B16R2.111 COCOc1ccccc1c2cccs2 271570a_100012001573_100011215356 [0,1,0,0,0,0|1,0,0]=2 994 B16R2.111 COCOc1ccccc1c2ccoc2 271570a_100011218838_200000230759 [0,1,0,0,0,0|3,0,0]=4 995 B16R2.111 COCOc1ccccc1c2ccoc2 271570a_100012001573_100011215275 [0,1,0,0,0,0|3,0,0]=4 996 B16R2.111 COCOc1ccccc1c2ccsc2 271570a_100011934443_200000230759 [0,1,0,0,0,0|3,0,0]=4 997 B16R2.111 COCOc1ccccc1c2ccsc2 271570a_100012001573_100000738268 [0,1,0,0,0,0|3,0,0]=4 998 B16R2.111 COCOc1ccccc1c2ccsn2 271570a_100012001573_100009818082 [0,1,0,0,0,0|3,0,0]=4 999 B16R2.111 COCOc1ccccc1c2cnco2 271570a_100012001573_100020591547 [0,1,0,0,0,0|2,1,0]=4 1000 B16R2.111 COCOc1ccccc1c2cncs2 271570a_100010231675_200000230759 [0,1,0,0,0,0|2,0,0]=3 1001 B16R2.111 COCOc1ccccc1c2cncs2 271570a_100012001573_100011934649 [0,1,0,0,0,0|2,0,0]=3 1002 B16R2.111 COCOc1ccccc1c2cscn2 271570a_100012001573_100000751502 [0,1,0,0,0,0|3,0,0]=4 1003 B16R2.111 COCOc1ccccc1c2ncc[nH]2 271570a_100012001573_100025796157 [0,1,0,0,0,0|3,0,0]=4 1004 B16R2.111 COCOc1ccccc1c2ncc[nH]2 271570a_100016988920_200000230759 [0,1,0,0,0,0|3,0,0]=4 1005 B16R2.111 COCOc1ccccc1c2ncco2 271570a_100012001573_100011787736 [0,1,0,0,0,0|2,1,0]=4 1006 B16R2.111 COCOc1ccccc1c2nccs2 271570a_100012001573_100000211983 [0,1,0,0,0,0|2,0,0]=3 1007 B16R2.111 COCOc1ccccc1c2ncns2 271570a_100012001573_100000693119 [0,1,0,0,0,0|3,0,0]=4 1008 B16R2.111 COCOc1ccccc1c2nncs2 271570a_100012001573_100000739804 [0,1,0,0,0,0|3,0,0]=4 1009 B16R2.111 COCOc1cccnc1c2ccco2 271570a_100000750936_100011935308 [0,1,0,0,0,0|2,1,0]=4 1010 B16R2.111 COCOc1cccnc1c2cccs2 271570a_100000742291_100011935308 [0,1,0,0,0,0|2,0,0]=3 1011 B16R2.111 COCOc1cccnc1c2cncs2 271570a_100010231675_100011935308 [0,1,0,0,0,0|3,0,0]=4 1012 B16R2.111 COCSc1ccccc1c2cc[nH]n2 62a_100011216357_100000766300 [0,1,0,0,0,0|3,0,0]=4 1013 B16R2.111 COCSc1ccccc1c2ccno2 62a_100000766300_100011218344 [0,1,0,0,0,0|2,1,0]=4 1014 B16R2.111 COCSc1ccccc1c2ccno2 62a_100011218344_100000766300 [0,1,0,0,0,0|2,1,0]=4 1015 B16R2.111 COCSc1ccccc1c2cnco2 62a_100000766300_100009816723 [0,1,0,0,0,0|2,1,0]=4 1016 B16R2.111 COCSc1ccccc1c2cnco2 62a_100009816723_100000766300 [0,1,0,0,0,0|2,1,0]=4 1017 B16R2.111 COCSc1ccccc1c2cocn2 62a_100000766300_100010198669 [0,1,0,0,0,0|3,0,0]=4 1018 B16R2.111 COCSc1ccccc1c2cocn2 62a_100010198669_100000766300 [0,1,0,0,0,0|3,0,0]=4 1019 B16R2.111 COCSc1ccccc1c2ncc[nH]2 62a_100000766300_100011532729 [0,1,0,0,0,0|3,0,0]=4 1020 B16R2.111 COCSc1ccccc1c2ncc[nH]2 62a_100011532729_100000766300 [0,1,0,0,0,0|3,0,0]=4 1021 B16R2.111 COCSc1ccccc1c2ncco2 62a_100000766300_100010188011 [0,1,0,0,0,0|2,1,0]=4 1022 B16R2.111 COCSc1ccccc1c2ncco2 62a_100010188011_100000766300 [0,1,0,0,0,0|2,1,0]=4 1023 B16R2.111 COCSc1ccccc1c2nccs2 62a_100000766300_103496549459 [0,1,0,0,0,0|2,0,0]=3 1024 B16R2.111 COCSc1ccccc1c2nccs2 62a_103496549459_100000766300 [0,1,0,0,0,0|2,0,0]=3 1025 B16R2.111 COCSc1ccccc1n2cccc2 62a_100000766300_200000178846 [0,1,0,0,0,0|3,0,0]=4 1026 B16R2.111 COCSc1ccccc1n2cccc2 62a_200000178846_100000766300 [0,1,0,0,0,0|3,0,0]=4 1027 B16R2.111 COCSc1ccccc1n2cccn2 62a_100011313175_100000766300 [0,1,0,0,0,0|3,0,0]=4 1028 B16R2.111 CSCNc1ccccc1c2ccco2 34a_200020605208_100011218213 [0,1,0,0,0,0|1,1,0]=3 1029 B16R2.111 CSCNc1ccccc1n2cccc2 34a_100000187513_100011218213 [0,1,0,0,0,0|3,0,0]=4 1030 B16R2.111 CSCNc1ccccc1n2cccn2 2230a_100000738828_100011218213 [0,1,0,0,0,0|3,0,0]=4 1031 B16R2.111 CSCNc1ccccc1n2cccn2 34a_100000738828_100011218213 [0,1,0,0,0,0|3,0,0]=4 1032 B16R2.111 CSCOc1ccccc1c2ccno2 34a_100000031527_100011218213 [0,1,0,0,0,0|2,1,0]=4 1033 B16R2.111 CSCOc1ccccc1c2ccsc2 34a_100011997965_100011218213 [0,1,0,0,0,0|3,0,0]=4 1034 B16R2.111 CSCOc1ccccc1c2ncc[nH]2 34a_200000089398_100011218213 [0,1,0,0,0,0|3,0,0]=4 1035 B16R2.111 CSCSc1ccccc1c2cc[nH]n2 62a_100011216357_100011218213 [0,1,0,0,0,0|3,0,0]=4 1036 B16R2.111 CSCSc1ccccc1c2ccno2 62a_100011218213_100011218344 [0,1,0,0,0,0|2,1,0]=4 1037 B16R2.111 CSCSc1ccccc1c2ccno2 62a_100011218344_100011218213 [0,1,0,0,0,0|2,1,0]=4 1038 B16R2.111 CSCSc1ccccc1c2cnco2 62a_100009816723_100011218213 [0,1,0,0,0,0|2,1,0]=4 1039 B16R2.111 CSCSc1ccccc1c2cnco2 62a_100011218213_100009816723 [0,1,0,0,0,0|2,1,0]=4 1040 B16R2.111 CSCSc1ccccc1c2cocn2 62a_100010198669_100011218213 [0,1,0,0,0,0|3,0,0]=4 1041 B16R2.111 CSCSc1ccccc1c2cocn2 62a_100011218213_100010198669 [0,1,0,0,0,0|3,0,0]=4 1042 B16R2.111 CSCSc1ccccc1c2ncc[nH]2 62a_100011218213_100011532729 [0,1,0,0,0,0|3,0,0]=4 1043 B16R2.111 CSCSc1ccccc1c2ncc[nH]2 62a_100011532729_100011218213 [0,1,0,0,0,0|3,0,0]=4 1044 B16R2.111 CSCSc1ccccc1c2ncco2 62a_100010188011_100011218213 [0,1,0,0,0,0|2,1,0]=4 1045 B16R2.111 CSCSc1ccccc1c2ncco2 62a_100011218213_100010188011 [0,1,0,0,0,0|2,1,0]=4 1046 B16R2.111 CSCSc1ccccc1c2nccs2 62a_100011218213_103496549459 [0,1,0,0,0,0|2,0,0]=3 1047 B16R2.111 CSCSc1ccccc1c2nccs2 62a_103496549459_100011218213 [0,1,0,0,0,0|2,0,0]=3 1048 B16R2.111 CSCSc1ccccc1n2cccc2 62a_100011218213_200000178846 [0,1,0,0,0,0|3,0,0]=4 1049 B16R2.111 CSCSc1ccccc1n2cccc2 62a_200000178846_100011218213 [0,1,0,0,0,0|3,0,0]=4 1050 B16R2.111 CSCSc1ccccc1n2cccn2 62a_100011313175_100011218213 [0,1,0,0,0,0|3,0,0]=4 1051 B16R2.111 FCCNc1ccccc1c2ccco2 34a_200020605208_100011217306 [0,1,0,0,0,0|2,1,0]=4 1052 B16R2.111 FCCOc1cccnc1c2cccs2 271570a_100000742291_100012814765 [0,1,0,0,0,0|3,0,0]=4 1053 B16R2.111 FCCSc1ccccc1c2nccs2 62a_100011217306_103496549459 [0,1,0,0,0,0|3,0,0]=4 1054 B16R2.111 FCCSc1ccccc1c2nccs2 62a_103496549459_100011217306 [0,1,0,0,0,0|3,0,0]=4 1055 B16R2.111 FCNCc1ccccc1c2ccco2 34a_100161156520_100015361967 [0,1,0,0,0,0|0,1,0]=2 1056 B16R2.111 FCNCc1ccccc1c2cccs2 34a_100016995785_100015361967 [0,1,0,0,0,0|0,0,0]=1 1057 B16R2.111 FCNCc1ccccc1n2cccn2 34a_100000743937_100015361967 [0,1,0,0,0,0|2,0,0]=3 1058 B16R2.111 FCOCc1ccccc1c2ccco2 34a_100000067684_100015361967 [0,1,0,0,0,0|1,1,0]=3 1059 B16R2.111 FCOCc1ccccc1c2ccco2 7a_100000067684_100015361967 [0,1,0,0,0,0|1,1,0]=3 1060 B16R2.111 FCOCc1ccccc1c2cccs2 34a_100000067680_100015361967 [0,1,0,0,0,0|1,0,0]=2 1061 B16R2.111 FCOCc1ccccc1c2cccs2 7a_100000067680_100015361967 [0,1,0,0,0,0|1,0,0]=2 1062 B16R2.111 FCOCc1ccccc1n2cccc2 34a_200000179416_100015361967 [0,1,0,0,0,0|3,0,0]=4 1063 B16R2.111 FCOCc1ccccc1n2cccc2 7a_200000179416_100015361967 [0,1,0,0,0,0|3,0,0]=4 1064 B16R2.111 FCOCc1ccccc1n2cccn2 34a_200011247278_100015361967 [0,1,0,0,0,0|3,0,0]=4 1065 B16R2.111 FCOCc1ccccc1n2cccn2 7a_200011247278_100015361967 [0,1,0,0,0,0|3,0,0]=4 1066 B16R2.111 N#CCOc1ccccc1c2ccco2 271570a_100000750936_200000173881 [0,1,0,0,0,0|2,1,0]=4 1067 B16R2.111 N#CCOc1ccccc1c2cccs2 271570a_100000742291_200000173881 [0,1,0,0,0,0|2,0,0]=3 1068 B16R2.111 N#CCOc1ccccc1c2cncs2 271570a_100010231675_200000173881 [0,1,0,0,0,0|3,0,0]=4 1069 B16R2.111 N#CCSc1ccccc1c2nccs2 62a_100011215382_103496549459 [0,1,0,0,0,0|3,0,0]=4 1070 B16R2.111 N#CCSc1ccccc1c2nccs2 62a_103496549459_100011215382 [0,1,0,0,0,0|3,0,0]=4 1071 B16R2.111 N#CSCc1ccccc1c2ccco2 271570a_100000750936_200010199460 [0,1,0,0,0,0|1,1,1]=4 1072 B16R2.111 N#CSCc1ccccc1c2cccs2 271570a_100000742291_200010199460 [0,1,0,0,0,0|1,0,1]=3 1073 B16R2.111 N#CSCc1ccccc1c2cncs2 271570a_100010231675_200010199460 [0,1,0,0,0,0|2,0,1]=4 1074 B16R2.111 NCCOc1ccccc1c2ccco2 271570a_100000750936_100000744007 [0,1,0,0,0,0|2,1,0]=4 1075 B16R2.111 NCCOc1ccccc1c2cccs2 271570a_100000742291_100000744007 [0,1,0,0,0,0|2,0,0]=3 1076 B16R2.111 NCCOc1ccccc1c2cncs2 271570a_100010231675_100000744007 [0,1,0,0,0,0|3,0,0]=4 1077 B16R2.111 O=CCCc1ccccc1c2ccco2 271570a_100000750936_100011713448 [0,1,0,0,0,0|1,1,1]=4 1078 B16R2.111 O=CCCc1ccccc1c2cccs2 271570a_100000742291_100011713448 [0,1,0,0,0,0|1,0,1]=3 1079 B16R2.111 O=CCCc1ccccc1c2cncs2 271570a_100010231675_100011713448 [0,1,0,0,0,0|2,0,1]=4 1080 B16R2.111 O=CCNc1ccccc1c2ccco2 34a_200020605208_200009817547 [0,1,0,0,0,0|2,1,0]=4 1081 B16R2.111 O=CCSc1ccccc1c2nccs2 62a_103496549459_200015260668 [0,1,0,0,0,0|3,0,0]=4 1082 B16R2.111 O=CCSc1ccccc1c2nccs2 62a_200015260668_103496549459 [0,1,0,0,0,0|3,0,0]=4 1083 B16R2.111 OCC#Cc1ccccc1c2ccco2 271570a_100000750936_100009814404 [0,1,0,0,0,0|1,1,1]=4 1084 B16R2.111 OCC#Cc1ccccc1c2cccs2 271570a_100000742291_100009814404 [0,1,0,0,0,0|1,0,1]=3 1085 B16R2.111 OCC#Cc1ccccc1c2cncs2 271570a_100010231675_100009814404 [0,1,0,0,0,0|2,0,1]=4 1086 B16R2.111 OCCCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000699526 [0,1,0,0,0,0|3,0,0]=4 1087 B16R2.111 OCCCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000699526 [0,1,0,0,0,0|3,0,0]=4 1088 B16R2.111 OCCCc1ccccc1c2ccco2 271570a_100000750936_100000699526 [0,1,0,0,0,0|1,1,0]=3 1089 B16R2.111 OCCCc1ccccc1c2cccs2 271570a_100000742291_100000699526 [0,1,0,0,0,0|1,0,0]=2 1090 B16R2.111 OCCCc1ccccc1c2ccoc2 271570a_100011218838_100000699526 [0,1,0,0,0,0|3,0,0]=4 1091 B16R2.111 OCCCc1ccccc1c2ccsc2 271570a_100011934443_100000699526 [0,1,0,0,0,0|3,0,0]=4 1092 B16R2.111 OCCCc1ccccc1c2cncs2 271570a_100010231675_100000699526 [0,1,0,0,0,0|2,0,0]=3 1093 B16R2.111 OCCCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000699526 [0,1,0,0,0,0|3,0,0]=4 1094 B16R2.111 OCCNc1ccccc1c2ccco2 34a_200020605208_100000211926 [0,1,0,0,0,0|2,1,0]=4 1095 B16R2.111 OCCNc1ncccc1c2cccs2 271570a_100000742291_200011464885 [0,1,0,0,0,0|3,0,0]=4 1096 B16R2.111 OCCOc1ccccc1c2ccco2 271570a_100000750936_100000230753 [0,1,0,0,0,0|2,1,0]=4 1097 B16R2.111 OCCOc1ccccc1c2cccs2 271570a_100000742291_100000230753 [0,1,0,0,0,0|2,0,0]=3 1098 B16R2.111 OCCOc1ccccc1c2cncs2 271570a_100010231675_100000230753 [0,1,0,0,0,0|3,0,0]=4 1099 B16R2.111 OCCSc1ccccc1c2ccco2 271570a_100000750936_200000230852 [0,1,0,0,0,0|2,1,0]=4 1100 B16R2.111 OCCSc1ccccc1c2cccs2 271570a_100000742291_200000230852 [0,1,0,0,0,0|2,0,0]=3 1101 B16R2.111 OCCSc1ccccc1c2cncs2 271570a_100010231675_200000230852 [0,1,0,0,0,0|3,0,0]=4 1102 B16R2.111 OCCSc1ccccc1c2nccs2 62a_100000211926_103496549459 [0,1,0,0,0,0|3,0,0]=4 1103 B16R2.111 OCCSc1ccccc1c2nccs2 62a_103496549459_100000211926 [0,1,0,0,0,0|3,0,0]=4 1104 B16R2.111 [N-]=[N+]=NCc1ccccc1c2ccco2 271570a_200010363339_100009814098 [0,1,0,0,0,0|1,1,1]=4 1105 B16R2.111 [N-]=[N+]=NCc1ccccc1c2cccs2 271570a_200010363339_100011215356 [0,1,0,0,0,0|1,0,1]=3 1106 B16R2.111 [N-]=[N+]=NCc1ccccc1c2cncs2 271570a_200010363339_100011934649 [0,1,0,0,0,0|2,0,1]=4 1107 B16R2.111 [N-]=[N+]=NCc1ccccc1c2nccs2 271570a_200010363339_100000211983 [0,1,0,0,0,0|2,0,1]=4 1108 B16R2.518 CC(=Cc1ccccc1c2nccs2)C 271570a_100102525489_103496549459 [0,1,0,0,0,0|2,0,1]=4 1109 B16R2.518 CC(=O)Cc1ccccc1c2cc[nH]c2 271570a_100000102155_100011350739 [0,1,0,0,0,0|3,0,0]=4 1110 B16R2.518 CC(=O)Cc1ccccc1c2cc[nH]n2 271570a_100000062414_100011350739 [0,1,0,0,0,0|3,0,0]=4 1111 B16R2.518 CC(=O)Cc1ccccc1c2ccco2 1458a_100010444013_200000210301 [0,1,0,0,0,0|1,1,0]=3 1112 B16R2.518 CC(=O)Cc1ccccc1c2ccco2 271570a_100000750936_100011350739 [0,1,0,0,0,0|1,1,0]=3 1113 B16R2.518 CC(=O)Cc1ccccc1c2cccs2 1458a_200010440607_200000210301 [0,1,0,0,0,0|1,0,0]=2 1114 B16R2.518 CC(=O)Cc1ccccc1c2cccs2 271570a_100000742291_100011350739 [0,1,0,0,0,0|1,0,0]=2 1115 B16R2.518 CC(=O)Cc1ccccc1c2ccoc2 271570a_100011218838_100011350739 [0,1,0,0,0,0|3,0,0]=4 1116 B16R2.518 CC(=O)Cc1ccccc1c2ccsc2 1458a_200019673428_200000210301 [0,1,0,0,0,0|3,0,0]=4 1117 B16R2.518 CC(=O)Cc1ccccc1c2ccsc2 271570a_100011934443_100011350739 [0,1,0,0,0,0|3,0,0]=4 1118 B16R2.518 CC(=O)Cc1ccccc1c2cncs2 271570a_100010231675_100011350739 [0,1,0,0,0,0|2,0,0]=3 1119 B16R2.518 CC(=O)Cc1ccccc1c2ncc[nH]2 271570a_100016988920_100011350739 [0,1,0,0,0,0|3,0,0]=4 1120 B16R2.518 CC(=O)Nc1ccccc1c2ccco2 11a_200020605208_100015343762 [0,1,0,0,0,0|2,1,0]=4 1121 B16R2.518 CC(=O)Nc1ccccc1c2ccco2 1626a_200020605208_100015343762 [0,1,0,0,0,0|2,1,0]=4 1122 B16R2.518 CC(=O)Nc1ccccc1c2ccco2 22a_200020605208_100000070787 [0,1,0,0,0,0|2,1,0]=4 1123 B16R2.518 CC(=O)Nc1ccccc1c2ccco2 271570a_100000043321_100009814098 [0,1,0,0,0,0|2,1,0]=4 1124 B16R2.518 CC(=O)Nc1ccccc1c2ccco2 271570a_100000750936_100000153524 [0,1,0,0,0,0|2,1,0]=4 1125 B16R2.518 CC(=O)Nc1ccccc1c2cccs2 271570a_100000043321_100011215356 [0,1,0,0,0,0|2,0,0]=3 1126 B16R2.518 CC(=O)Nc1ccccc1c2cccs2 271570a_100000742291_100000153524 [0,1,0,0,0,0|2,0,0]=3 1127 B16R2.518 CC(=O)Nc1ccccc1c2cncs2 271570a_100000043321_100011934649 [0,1,0,0,0,0|3,0,0]=4 1128 B16R2.518 CC(=O)Nc1ccccc1c2cncs2 271570a_100010231675_100000153524 [0,1,0,0,0,0|3,0,0]=4 1129 B16R2.518 CC(=O)Nc1ccccc1c2nccs2 271570a_100000043321_100000211983 [0,1,0,0,0,0|3,0,0]=4 1130 B16R2.518 CC(=O)Nc1ccncc1c2cccs2 271570a_100000742291_100016132053 [0,1,0,0,0,0|3,0,0]=4 1131 B16R2.518 CC(=O)Oc1ccccc1c2ccco2 271570a_100000750936_100000051690 [0,1,0,0,0,0|2,1,0]=4 1132 B16R2.518 CC(=O)Oc1ccccc1c2ccco2 271570a_200000040253_100009814098 [0,1,0,0,0,0|2,1,0]=4 1133 B16R2.518 CC(=O)Oc1ccccc1c2cccs2 271570a_100000742291_100000051690 [0,1,0,0,0,0|2,0,0]=3 1134 B16R2.518 CC(=O)Oc1ccccc1c2cccs2 271570a_200000040253_100011215356 [0,1,0,0,0,0|2,0,0]=3 1135 B16R2.518 CC(=O)Oc1ccccc1c2cncs2 271570a_100010231675_100000051690 [0,1,0,0,0,0|3,0,0]=4 1136 B16R2.518 CC(=O)Oc1ccccc1c2cncs2 271570a_200000040253_100011934649 [0,1,0,0,0,0|3,0,0]=4 1137 B16R2.518 CC(=O)Oc1ccccc1c2nccs2 271570a_200000040253_100000211983 [0,1,0,0,0,0|3,0,0]=4 1138 B16R2.518 CC(=O)Oc1cccnc1c2cccs2 271570a_100000742291_200009815371 [0,1,0,0,0,0|3,0,0]=4 1139 B16R2.518 CC(C)Cc1ccccc1c2c[nH]cn2 271570a_200010047045_100000756875 [0,1,0,0,0,0|3,0,0]=4 1140 B16R2.518 CC(C)Cc1ccccc1c2cc[nH]n2 271570a_200010047045_100000062575 [0,1,0,0,0,0|3,0,0]=4 1141 B16R2.518 CC(C)Cc1ccccc1c2ccco2 271570a_200010047045_100009814098 [0,1,0,0,0,0|1,1,0]=3 1142 B16R2.518 CC(C)Cc1ccccc1c2cccs2 271570a_200010047045_100011215356 [0,1,0,0,0,0|1,0,0]=2 1143 B16R2.518 CC(C)Cc1ccccc1c2ccoc2 271570a_200010047045_100011215275 [0,1,0,0,0,0|3,0,0]=4 1144 B16R2.518 CC(C)Cc1ccccc1c2ccsc2 271570a_200010047045_100000738268 [0,1,0,0,0,0|3,0,0]=4 1145 B16R2.518 CC(C)Cc1ccccc1c2ccsn2 271570a_200010047045_100009818082 [0,1,0,0,0,0|3,0,0]=4 1146 B16R2.518 CC(C)Cc1ccccc1c2cnco2 271570a_200010047045_100020591547 [0,1,0,0,0,0|2,1,0]=4 1147 B16R2.518 CC(C)Cc1ccccc1c2cncs2 271570a_200010047045_100011934649 [0,1,0,0,0,0|2,0,0]=3 1148 B16R2.518 CC(C)Cc1ccccc1c2cscn2 271570a_200010047045_100000751502 [0,1,0,0,0,0|3,0,0]=4 1149 B16R2.518 CC(C)Cc1ccccc1c2ncc[nH]2 271570a_200010047045_100025796157 [0,1,0,0,0,0|3,0,0]=4 1150 B16R2.518 CC(C)Cc1ccccc1c2ncco2 271570a_200010047045_100011787736 [0,1,0,0,0,0|2,1,0]=4 1151 B16R2.518 CC(C)Cc1ccccc1c2nccs2 271570a_200010047045_100000211983 [0,1,0,0,0,0|2,0,0]=3 1152 B16R2.518 CC(C)Cc1ccccc1c2ncns2 271570a_200010047045_100000693119 [0,1,0,0,0,0|3,0,0]=4 1153 B16R2.518 CC(C)Cc1ccccc1c2nncs2 271570a_200010047045_100000739804 [0,1,0,0,0,0|3,0,0]=4 1154 B16R2.518 CC(C)Nc1ccccc1c2ccco2 271570a_100000750936_100000219599 [0,1,0,0,0,0|2,1,0]=4 1155 B16R2.518 CC(C)Nc1ccccc1c2ccco2 34a_200020605208_100000210206 [0,1,0,0,0,0|2,1,0]=4 1156 B16R2.518 CC(C)Nc1ccccc1c2cccs2 271570a_100000742291_100000219599 [0,1,0,0,0,0|2,0,0]=3 1157 B16R2.518 CC(C)Nc1ccccc1c2cncs2 271570a_100010231675_100000219599 [0,1,0,0,0,0|3,0,0]=4 1158 B16R2.518 CC(C)Oc1ccccc1c2ccco2 271570a_100000750936_100000173919 [0,1,0,0,0,0|2,1,0]=4 1159 B16R2.518 CC(C)Oc1ccccc1c2ccco2 271570a_100011263023_100009814098 [0,1,0,0,0,0|2,1,0]=4 1160 B16R2.518 CC(C)Oc1ccccc1c2cccs2 271570a_100000742291_100000173919 [0,1,0,0,0,0|2,0,0]=3 1161 B16R2.518 CC(C)Oc1ccccc1c2cccs2 271570a_100011263023_100011215356 [0,1,0,0,0,0|2,0,0]=3 1162 B16R2.518 CC(C)Oc1ccccc1c2cncs2 271570a_100010231675_100000173919 [0,1,0,0,0,0|3,0,0]=4 1163 B16R2.518 CC(C)Oc1ccccc1c2cncs2 271570a_100011263023_100011934649 [0,1,0,0,0,0|3,0,0]=4 1164 B16R2.518 CC(C)Oc1ccccc1c2nccs2 271570a_100011263023_100000211983 [0,1,0,0,0,0|3,0,0]=4 1165 B16R2.518 CC(C)Oc1ncccc1c2cccs2 271570a_100000117625_100011215356 [0,1,0,0,0,0|3,0,0]=4 1166 B16R2.518 CC(C)Oc1ncccc1c2cccs2 271570a_100000742291_200011465186 [0,1,0,0,0,0|3,0,0]=4 1167 B16R2.518 CC(C)Sc1ccccc1c2nccs2 62a_100000210206_103496549459 [0,1,0,0,0,0|3,0,0]=4 1168 B16R2.518 CC(C)Sc1ccccc1c2nccs2 62a_103496549459_100000210206 [0,1,0,0,0,0|3,0,0]=4 1169 B16R2.518 CN(C)Cc1ccccc1C2=CCCC2 271570a_100000089523_100000174758 [0,1,0,0,0,0|1,0,2]=4 1170 B16R2.518 CN(C)Cc1ccccc1C2=CCOC2 271570a_100009872500_100000174758 [0,1,0,0,0,0|2,0,1]=4 1171 B16R2.518 CN(C)Cc1ccccc1C2=COCC2 271570a_100000118173_100000174758 [0,1,0,0,0,0|2,0,1]=4 1172 B16R2.518 CN(C)Cc1ccccc1c2c[nH]cn2 271570a_100012356114_100000756875 [0,1,0,0,0,0|2,0,0]=3 1173 B16R2.518 CN(C)Cc1ccccc1c2cc[nH]c2 271570a_100000102155_100000174758 [0,1,0,0,0,0|2,0,0]=3 1174 B16R2.518 CN(C)Cc1ccccc1c2cc[nH]n2 271570a_100000062414_100000174758 [0,1,0,0,0,0|2,0,0]=3 1175 B16R2.518 CN(C)Cc1ccccc1c2cc[nH]n2 271570a_100012356114_100000062575 [0,1,0,0,0,0|2,0,0]=3 1176 B16R2.518 CN(C)Cc1ccccc1c2ccco2 270004a_100102631434_100011217036 [0,1,0,0,0,0|0,1,0]=2 1177 B16R2.518 CN(C)Cc1ccccc1c2ccco2 271570a_100000750936_100000174758 [0,1,0,0,0,0|0,1,0]=2 1178 B16R2.518 CN(C)Cc1ccccc1c2ccco2 271570a_100012356114_100009814098 [0,1,0,0,0,0|0,1,0]=2 1179 B16R2.518 CN(C)Cc1ccccc1c2cccs2 270004a_100102631434_200011191916 [0,1,0,0,0,0|0,0,0]=1 1180 B16R2.518 CN(C)Cc1ccccc1c2cccs2 271570a_100000742291_100000174758 [0,1,0,0,0,0|0,0,0]=1 1181 B16R2.518 CN(C)Cc1ccccc1c2cccs2 271570a_100012356114_100011215356 [0,1,0,0,0,0|0,0,0]=1 1182 B16R2.518 CN(C)Cc1ccccc1c2ccoc2 271570a_100011218838_100000174758 [0,1,0,0,0,0|2,0,0]=3 1183 B16R2.518 CN(C)Cc1ccccc1c2ccoc2 271570a_100012356114_100011215275 [0,1,0,0,0,0|2,0,0]=3 1184 B16R2.518 CN(C)Cc1ccccc1c2ccsc2 270004a_100102631434_200011217932 [0,1,0,0,0,0|2,0,0]=3 1185 B16R2.518 CN(C)Cc1ccccc1c2ccsc2 271570a_100011934443_100000174758 [0,1,0,0,0,0|2,0,0]=3 1186 B16R2.518 CN(C)Cc1ccccc1c2ccsc2 271570a_100012356114_100000738268 [0,1,0,0,0,0|2,0,0]=3 1187 B16R2.518 CN(C)Cc1ccccc1c2ccsn2 271570a_100012356114_100009818082 [0,1,0,0,0,0|2,0,0]=3 1188 B16R2.518 CN(C)Cc1ccccc1c2cn[nH]c2 271570a_100000041997_100000174758 [0,1,0,0,0,0|3,0,0]=4 1189 B16R2.518 CN(C)Cc1ccccc1c2cn[nH]c2 271570a_100012356114_100000238712 [0,1,0,0,0,0|3,0,0]=4 1190 B16R2.518 CN(C)Cc1ccccc1c2cnco2 271570a_100012356114_100020591547 [0,1,0,0,0,0|1,1,0]=3 1191 B16R2.518 CN(C)Cc1ccccc1c2cncs2 271570a_100010231675_100000174758 [0,1,0,0,0,0|1,0,0]=2 1192 B16R2.518 CN(C)Cc1ccccc1c2cncs2 271570a_100012356114_100011934649 [0,1,0,0,0,0|1,0,0]=2 1193 B16R2.518 CN(C)Cc1ccccc1c2cnoc2 271570a_100012356114_100009815712 [0,1,0,0,0,0|3,0,0]=4 1194 B16R2.518 CN(C)Cc1ccccc1c2cnsc2 271570a_100012356114_100009815736 [0,1,0,0,0,0|3,0,0]=4 1195 B16R2.518 CN(C)Cc1ccccc1c2cscn2 271570a_100012356114_100000751502 [0,1,0,0,0,0|2,0,0]=3 1196 B16R2.518 CN(C)Cc1ccccc1c2nc[nH]n2 271570a_100012356114_100000761765 [0,1,0,0,0,0|3,0,0]=4 1197 B16R2.518 CN(C)Cc1ccccc1c2ncc[nH]2 271570a_100012356114_100025796157 [0,1,0,0,0,0|2,0,0]=3 1198 B16R2.518 CN(C)Cc1ccccc1c2ncc[nH]2 271570a_100016988920_100000174758 [0,1,0,0,0,0|2,0,0]=3 1199 B16R2.518 CN(C)Cc1ccccc1c2ncco2 271570a_100012356114_100011787736 [0,1,0,0,0,0|1,1,0]=3 1200 B16R2.518 CN(C)Cc1ccccc1c2nccs2 270004a_100102631434_100000068343 [0,1,0,0,0,0|1,0,0]=2 1201 B16R2.518 CN(C)Cc1ccccc1c2nccs2 271570a_100012356114_100000211983 [0,1,0,0,0,0|1,0,0]=2 1202 B16R2.518 CN(C)Cc1ccccc1c2ncns2 271570a_100012356114_100000693119 [0,1,0,0,0,0|2,0,0]=3 1203 B16R2.518 CN(C)Cc1ccccc1c2nncs2 271570a_100012356114_100000739804 [0,1,0,0,0,0|2,0,0]=3 1204 B16R2.518 CN(C)Cc1ccccc1n2cccc2 270004a_100102631434_100000050373 [0,1,0,0,0,0|2,0,0]=3 1205 B16R2.518 CN(C)Cc1ccccc1n2cccn2 270004a_100102631434_100102946334 [0,1,0,0,0,0|2,0,0]=3 1206 B16R2.518 CN(C)Cc1ccccc1n2ccnc2 270004a_100102631434_100000748775 [0,1,0,0,0,0|3,0,0]=4 1207 B16R2.518 CN(C)Cc1ccccc1n2cncn2 2230a_100102631434_200011247420 [0,1,0,0,0,0|3,0,0]=4 1208 B16R2.518 CN(C)Cc1ccccc1n2cncn2 269982a_100102631434_200011247420 [0,1,0,0,0,0|3,0,0]=4 1209 B16R2.518 CN(C)Cc1ccccc1n2cncn2 270004a_100102631434_100000744974 [0,1,0,0,0,0|3,0,0]=4 1210 B16R2.518 FC(F)Oc1ccccc1c2cccs2 271570a_100000723604_100011215356 [0,1,0,0,0,0|3,0,0]=4 1211 B16R2.518 FC(F)Oc1ccccc1c2cccs2 271570a_100000742291_100000742724 [0,1,0,0,0,0|3,0,0]=4 1212 B16R2.518 NC(=O)Cc1ccccc1c2ccco2 271570a_100000750936_200009814924 [0,1,0,0,0,0|2,1,0]=4 1213 B16R2.518 NC(=O)Cc1ccccc1c2cccs2 271570a_100000742291_200009814924 [0,1,0,0,0,0|2,0,0]=3 1214 B16R2.518 NC(=O)Cc1ccccc1c2cncs2 271570a_100010231675_200009814924 [0,1,0,0,0,0|3,0,0]=4 1215 B16R2.518 NC(=O)Nc1ccccc1c2cccs2 271570a_100000742291_100000742221 [0,1,0,0,0,0|3,0,0]=4 1216 B16R2.518 O=C(O)Cc1ccccc1c2ccco2 271570a_200010239615_100009814098 [0,1,0,0,0,0|2,1,0]=4 1217 B16R2.518 O=C(O)Cc1ccccc1c2cccs2 271570a_200010239615_100011215356 [0,1,0,0,0,0|2,0,0]=3 1218 B16R2.518 O=C(O)Cc1ccccc1c2cncs2 271570a_200010239615_100011934649 [0,1,0,0,0,0|3,0,0]=4 1219 B16R2.518 O=C(O)Cc1ccccc1c2nccs2 271570a_200010239615_100000211983 [0,1,0,0,0,0|3,0,0]=4 1220 B16R2.518 [13CH3]C(=O)Cc1ccccc1c2ccco2 1458a_100010444013_200025704644 [0,1,0,0,0,0|1,1,0]=3 1221 B16R2.518 [13CH3]C(=O)Cc1ccccc1c2cccs2 1458a_200010440607_200025704644 [0,1,0,0,0,0|1,0,0]=2 1222 B16R2.518 [13CH3]C(=O)Cc1ccccc1c2ccsc2 1458a_200019673428_200025704644 [0,1,0,0,0,0|3,0,0]=4 1223 B16R2.538 CCOc1cc(ccc1c2ccco2)Br 271570a_200010295860_100009814098 [0,1,0,0,0,0|2,1,0]=4 1224 B16R2.538 CCOc1cc(ccc1c2ccco2)C 271570a_100000750936_200010713166 [0,1,0,0,0,0|2,1,0]=4 1225 B16R2.538 CCOc1cc(ccc1c2ccco2)Cl 271570a_100000041748_100009814098 [0,1,0,0,0,0|2,1,0]=4 1226 B16R2.538 CCOc1cc(ccc1c2ccco2)F 271570a_100000750936_200012340411 [0,1,0,0,0,0|2,1,0]=4 1227 B16R2.538 CCOc1cc(ccc1c2ccco2)F 271570a_100011356802_100009814098 [0,1,0,0,0,0|2,1,0]=4 1228 B16R2.538 CCOc1cc(ccc1c2ccco2)N 271570a_100000750936_200016990551 [0,1,0,0,0,0|2,1,0]=4 1229 B16R2.538 CCOc1cc(ccc1c2cccs2)Br 271570a_200010295860_100011215356 [0,1,0,0,0,0|2,0,0]=3 1230 B16R2.538 CCOc1cc(ccc1c2cccs2)C 271570a_100000742291_200010713166 [0,1,0,0,0,0|2,0,0]=3 1231 B16R2.538 CCOc1cc(ccc1c2cccs2)Cl 271570a_100000041748_100011215356 [0,1,0,0,0,0|2,0,0]=3 1232 B16R2.538 CCOc1cc(ccc1c2cccs2)F 271570a_100000742291_200012340411 [0,1,0,0,0,0|2,0,0]=3 1233 B16R2.538 CCOc1cc(ccc1c2cccs2)F 271570a_100011356802_100011215356 [0,1,0,0,0,0|2,0,0]=3 1234 B16R2.538 CCOc1cc(ccc1c2cccs2)N 271570a_100000742291_200016990551 [0,1,0,0,0,0|2,0,0]=3 1235 B16R2.538 CCOc1cc(ccc1c2cncs2)Br 271570a_200010295860_100011934649 [0,1,0,0,0,0|3,0,0]=4 1236 B16R2.538 CCOc1cc(ccc1c2cncs2)C 271570a_100010231675_200010713166 [0,1,0,0,0,0|3,0,0]=4 1237 B16R2.538 CCOc1cc(ccc1c2cncs2)Cl 271570a_100000041748_100011934649 [0,1,0,0,0,0|3,0,0]=4 1238 B16R2.538 CCOc1cc(ccc1c2cncs2)F 271570a_100010231675_200012340411 [0,1,0,0,0,0|3,0,0]=4 1239 B16R2.538 CCOc1cc(ccc1c2cncs2)F 271570a_100011356802_100011934649 [0,1,0,0,0,0|3,0,0]=4 1240 B16R2.538 CCOc1cc(ccc1c2cncs2)N 271570a_100010231675_200016990551 [0,1,0,0,0,0|3,0,0]=4 1241 B16R2.538 CCOc1cc(ccc1c2nccs2)Br 271570a_200010295860_100000211983 [0,1,0,0,0,0|3,0,0]=4 1242 B16R2.538 CCOc1cc(ccc1c2nccs2)Cl 271570a_100000041748_100000211983 [0,1,0,0,0,0|3,0,0]=4 1243 B16R2.538 CCOc1cc(ccc1c2nccs2)F 271570a_100011356802_100000211983 [0,1,0,0,0,0|3,0,0]=4 1244 B16R2.538 CNCc1cc(ccc1n2cccn2)F 207a_100102657272_200011291332 [0,1,0,0,0,0|2,0,0]=3 1245 B16R2.538 CNCc1cc(ccc1n2cccn2)F 270004a_106832991635_200011291332 [0,1,0,0,0,0|2,0,0]=3 1246 B16R2.538 COCc1cc(ccc1c2c[nH]cn2)F 271570a_200010042602_100000756875 [0,1,0,0,0,0|3,0,0]=4 1247 B16R2.538 COCc1cc(ccc1c2cc[nH]n2)F 271570a_200010042602_100000062575 [0,1,0,0,0,0|3,0,0]=4 1248 B16R2.538 COCc1cc(ccc1c2ccco2)F 271570a_200010042602_100009814098 [0,1,0,0,0,0|1,1,0]=3 1249 B16R2.538 COCc1cc(ccc1c2cccs2)F 271570a_200010042602_100011215356 [0,1,0,0,0,0|1,0,0]=2 1250 B16R2.538 COCc1cc(ccc1c2ccoc2)F 271570a_200010042602_100011215275 [0,1,0,0,0,0|3,0,0]=4 1251 B16R2.538 COCc1cc(ccc1c2ccsc2)F 271570a_200010042602_100000738268 [0,1,0,0,0,0|3,0,0]=4 1252 B16R2.538 COCc1cc(ccc1c2ccsn2)F 271570a_200010042602_100009818082 [0,1,0,0,0,0|3,0,0]=4 1253 B16R2.538 COCc1cc(ccc1c2cnco2)F 271570a_200010042602_100020591547 [0,1,0,0,0,0|2,1,0]=4 1254 B16R2.538 COCc1cc(ccc1c2cncs2)F 271570a_200010042602_100011934649 [0,1,0,0,0,0|2,0,0]=3 1255 B16R2.538 COCc1cc(ccc1c2cscn2)F 271570a_200010042602_100000751502 [0,1,0,0,0,0|3,0,0]=4 1256 B16R2.538 COCc1cc(ccc1c2ncc[nH]2)F 271570a_200010042602_100025796157 [0,1,0,0,0,0|3,0,0]=4 1257 B16R2.538 COCc1cc(ccc1c2ncco2)F 271570a_200010042602_100011787736 [0,1,0,0,0,0|2,1,0]=4 1258 B16R2.538 COCc1cc(ccc1c2nccs2)F 271570a_200010042602_100000211983 [0,1,0,0,0,0|2,0,0]=3 1259 B16R2.538 COCc1cc(ccc1c2ncns2)F 271570a_200010042602_100000693119 [0,1,0,0,0,0|3,0,0]=4 1260 B16R2.538 COCc1cc(ccc1c2nncs2)F 271570a_200010042602_100000739804 [0,1,0,0,0,0|3,0,0]=4 1261 B16R2.538 Cc1ccc(c(c1)CC#N)c2ccco2 271570a_100000750936_100010147026 [0,1,0,0,0,0|2,1,0]=4 1262 B16R2.538 Cc1ccc(c(c1)CC#N)c2cccs2 271570a_100000742291_100010147026 [0,1,0,0,0,0|2,0,0]=3 1263 B16R2.538 Cc1ccc(c(c1)CC#N)c2cncs2 271570a_100010231675_100010147026 [0,1,0,0,0,0|3,0,0]=4 1264 B16R2.538 N#CCc1cc(ccc1c2ccco2)F 271570a_100000750936_100011206898 [0,1,0,0,0,0|2,1,0]=4 1265 B16R2.538 N#CCc1cc(ccc1c2cccs2)F 271570a_100000742291_100011206898 [0,1,0,0,0,0|2,0,0]=3 1266 B16R2.538 N#CCc1cc(ccc1c2cncs2)F 271570a_100010231675_100011206898 [0,1,0,0,0,0|3,0,0]=4 1267 B16R2.611 C=CCc1ccccc1c2cccn2C 271570a_100000068268_100009828059 [0,1,0,0,0,0|2,0,1]=4 1268 B16R2.611 C=CCc1ccccc1c2sccc2Br 271570a_200010742005_100012361411 [0,1,0,0,0,0|1,0,1]=3 1269 B16R2.611 C=CCc1ccccc1c2sccc2C 271570a_100000734444_100009828059 [0,1,0,0,0,0|1,0,1]=3 1270 B16R2.611 C=CCc1ccccc1c2sccc2C 271570a_200010742005_100000742657 [0,1,0,0,0,0|1,0,1]=3 1271 B16R2.611 C=CCc1ccccc1c2scnc2C 271570a_100010115231_100009828059 [0,1,0,0,0,0|2,0,1]=4 1272 B16R2.611 C=CCc1ccccc1c2scnc2C 271570a_200010742005_100009817116 [0,1,0,0,0,0|2,0,1]=4 1273 B16R2.611 CCCc1ncncc1c2sccc2C 271570a_100000734444_100009816987 [0,1,0,0,0,0|3,0,0]=4 1274 B16R2.611 CCNc1ccccc1c2cccn2C 271570a_100000068268_114873767003 [0,1,0,0,0,0|3,0,0]=4 1275 B16R2.611 CCNc1ccccc1c2sccc2C 271570a_100000734444_114873767003 [0,1,0,0,0,0|2,0,0]=3 1276 B16R2.611 CCNc1ccccc1c2scnc2C 271570a_100010115231_114873767003 [0,1,0,0,0,0|3,0,0]=4 1277 B16R2.611 CCOc1ccccc1c2cccn2C 271570a_100000068268_100000230754 [0,1,0,0,0,0|3,0,0]=4 1278 B16R2.611 CCOc1ccccc1c2sccc2Br 271570a_100011217569_100012361411 [0,1,0,0,0,0|2,0,0]=3 1279 B16R2.611 CCOc1ccccc1c2sccc2C 271570a_100000734444_100000230754 [0,1,0,0,0,0|2,0,0]=3 1280 B16R2.611 CCOc1ccccc1c2sccc2C 271570a_100011217569_100000742657 [0,1,0,0,0,0|2,0,0]=3 1281 B16R2.611 CCOc1ccccc1c2scnc2C 271570a_100010115231_100000230754 [0,1,0,0,0,0|3,0,0]=4 1282 B16R2.611 CCOc1ccccc1c2scnc2C 271570a_100011217569_100009817116 [0,1,0,0,0,0|3,0,0]=4 1283 B16R2.611 CCOc1cccnc1c2sccc2C 271570a_100000734444_100011597540 [0,1,0,0,0,0|3,0,0]=4 1284 B16R2.611 CCOc1ncccc1c2sccc2Br 271570a_100000047259_100012361411 [0,1,0,0,0,0|3,0,0]=4 1285 B16R2.611 CCOc1ncccc1c2sccc2C 271570a_100000047259_100000742657 [0,1,0,0,0,0|3,0,0]=4 1286 B16R2.611 CCOc1ncccc1c2sccc2C 271570a_100000734444_100011465154 [0,1,0,0,0,0|3,0,0]=4 1287 B16R2.611 CCSc1ccccc1c2cccn2C 271570a_100000068268_100000230856 [0,1,0,0,0,0|3,0,0]=4 1288 B16R2.611 CCSc1ccccc1c2sccc2C 271570a_100000734444_100000230856 [0,1,0,0,0,0|2,0,0]=3 1289 B16R2.611 CCSc1ccccc1c2sccc2C 271570a_200000040582_100000742657 [0,1,0,0,0,0|2,0,0]=3 1290 B16R2.611 CCSc1ccccc1c2scnc2C 271570a_100010115231_100000230856 [0,1,0,0,0,0|3,0,0]=4 1291 B16R2.611 CCSc1ccccc1c2scnc2C 271570a_200000040582_100009817116 [0,1,0,0,0,0|3,0,0]=4 1292 B16R2.611 CNCc1ccccc1c2c[nH]nc2C 271570a_100000069033_100000184654 [0,1,0,0,0,0|3,0,0]=4 1293 B16R2.611 CNCc1ccccc1c2cccn2C 271570a_100000068268_100000184654 [0,1,0,0,0,0|1,0,0]=2 1294 B16R2.611 CNCc1ccccc1c2ccnn2C 271570a_100000707534_100000184654 [0,1,0,0,0,0|2,0,0]=3 1295 B16R2.611 CNCc1ccccc1c2ccoc2C 271570a_100000070625_100000184654 [0,1,0,0,0,0|2,0,0]=3 1296 B16R2.611 CNCc1ccccc1c2ccsc2C 271570a_100012356473_100000184654 [0,1,0,0,0,0|2,0,0]=3 1297 B16R2.611 CNCc1ccccc1c2ccsc2Cl 271570a_100000117213_100000184654 [0,1,0,0,0,0|2,0,0]=3 1298 B16R2.611 CNCc1ccccc1c2cncn2C 271570a_100009892668_100000184654 [0,1,0,0,0,0|2,0,0]=3 1299 B16R2.611 CNCc1ccccc1c2cnoc2C 271570a_100000723675_100000184654 [0,1,0,0,0,0|3,0,0]=4 1300 B16R2.611 CNCc1ccccc1c2cscc2C 271570a_100000069996_100000184654 [0,1,0,0,0,0|2,0,0]=3 1301 B16R2.611 CNCc1ccccc1c2n[nH]cc2C 271570a_100102527747_100000184654 [0,1,0,0,0,0|2,0,0]=3 1302 B16R2.611 CNCc1ccccc1c2sccc2C 271570a_100000734444_100000184654 [0,1,0,0,0,0|0,0,0]=1 1303 B16R2.611 CNCc1ccccc1c2scnc2C 271570a_100010115231_100000184654 [0,1,0,0,0,0|1,0,0]=2 1304 B16R2.611 CNCc1ccccc1n2ccnc2C 207a_100102657272_200011234060 [0,1,0,0,0,0|3,0,0]=4 1305 B16R2.611 CNCc1ccccc1n2ccnc2C 270004a_106832991635_200011234060 [0,1,0,0,0,0|3,0,0]=4 1306 B16R2.611 CNCc1ccccc1n2ccnc2C 34a_100000724811_200000210301 [0,1,0,0,0,0|3,0,0]=4 1307 B16R2.611 CNCc1cccnc1c2cccn2C 271570a_100000068268_103496529121 [0,1,0,0,0,0|2,0,0]=3 1308 B16R2.611 CNCc1cccnc1c2ccnn2C 271570a_100000707534_103496529121 [0,1,0,0,0,0|3,0,0]=4 1309 B16R2.611 CNCc1cccnc1c2ccoc2C 271570a_100000070625_103496529121 [0,1,0,0,0,0|3,0,0]=4 1310 B16R2.611 CNCc1cccnc1c2ccsc2C 271570a_100012356473_103496529121 [0,1,0,0,0,0|3,0,0]=4 1311 B16R2.611 CNCc1cccnc1c2ccsc2Cl 271570a_100000117213_103496529121 [0,1,0,0,0,0|3,0,0]=4 1312 B16R2.611 CNCc1cccnc1c2cncn2C 271570a_100009892668_103496529121 [0,1,0,0,0,0|3,0,0]=4 1313 B16R2.611 CNCc1cccnc1c2cscc2C 271570a_100000069996_103496529121 [0,1,0,0,0,0|3,0,0]=4 1314 B16R2.611 CNCc1cccnc1c2n[nH]cc2C 271570a_100102527747_103496529121 [0,1,0,0,0,0|3,0,0]=4 1315 B16R2.611 CNCc1cccnc1c2sccc2C 271570a_100000734444_103496529121 [0,1,0,0,0,0|1,0,0]=2 1316 B16R2.611 CNCc1cccnc1c2scnc2C 271570a_100010115231_103496529121 [0,1,0,0,0,0|2,0,0]=3 1317 B16R2.611 COCc1ccccc1c2[nH]cnc2Cl 271570a_100011216666_100010200774 [0,1,0,0,0,0|3,0,0]=4 1318 B16R2.611 COCc1ccccc1c2cccn2C 271570a_100000068268_100011493684 [0,1,0,0,0,0|2,0,0]=3 1319 B16R2.611 COCc1ccccc1c2ccnn2C 271570a_100000707534_100011493684 [0,1,0,0,0,0|3,0,0]=4 1320 B16R2.611 COCc1ccccc1c2ccnn2C 271570a_100011216666_100000688441 [0,1,0,0,0,0|3,0,0]=4 1321 B16R2.611 COCc1ccccc1c2ccoc2C 271570a_100000070625_100011493684 [0,1,0,0,0,0|3,0,0]=4 1322 B16R2.611 COCc1ccccc1c2ccsc2C 271570a_100011216666_100000684487 [0,1,0,0,0,0|3,0,0]=4 1323 B16R2.611 COCc1ccccc1c2ccsc2C 271570a_100012356473_100011493684 [0,1,0,0,0,0|3,0,0]=4 1324 B16R2.611 COCc1ccccc1c2ccsc2Cl 271570a_100000117213_100011493684 [0,1,0,0,0,0|3,0,0]=4 1325 B16R2.611 COCc1ccccc1c2cncn2C 271570a_100009892668_100011493684 [0,1,0,0,0,0|3,0,0]=4 1326 B16R2.611 COCc1ccccc1c2cncn2C 271570a_100011216666_100009814087 [0,1,0,0,0,0|3,0,0]=4 1327 B16R2.611 COCc1ccccc1c2cscc2Br 271570a_100011216666_100010143727 [0,1,0,0,0,0|3,0,0]=4 1328 B16R2.611 COCc1ccccc1c2cscc2C 271570a_100000069996_100011493684 [0,1,0,0,0,0|3,0,0]=4 1329 B16R2.611 COCc1ccccc1c2cscc2C 271570a_100011216666_100000759966 [0,1,0,0,0,0|3,0,0]=4 1330 B16R2.611 COCc1ccccc1c2n[nH]cc2Br 271570a_100011216666_100015839836 [0,1,0,0,0,0|3,0,0]=4 1331 B16R2.611 COCc1ccccc1c2n[nH]cc2C 271570a_100011216666_100009871783 [0,1,0,0,0,0|3,0,0]=4 1332 B16R2.611 COCc1ccccc1c2n[nH]cc2C 271570a_100102527747_100011493684 [0,1,0,0,0,0|3,0,0]=4 1333 B16R2.611 COCc1ccccc1c2n[nH]cc2N 271570a_100011216666_100010894806 [0,1,0,0,0,0|3,0,0]=4 1334 B16R2.611 COCc1ccccc1c2nc[nH]c2C 271570a_100011216666_100009816806 [0,1,0,0,0,0|3,0,0]=4 1335 B16R2.611 COCc1ccccc1c2nccn2C 271570a_100011216666_100000707724 [0,1,0,0,0,0|3,0,0]=4 1336 B16R2.611 COCc1ccccc1c2ncsc2C 271570a_100011216666_100000732656 [0,1,0,0,0,0|3,0,0]=4 1337 B16R2.611 COCc1ccccc1c2sccc2Br 271570a_100011216666_100012361411 [0,1,0,0,0,0|1,0,0]=2 1338 B16R2.611 COCc1ccccc1c2sccc2C 271570a_100000734444_100011493684 [0,1,0,0,0,0|1,0,0]=2 1339 B16R2.611 COCc1ccccc1c2sccc2C 271570a_100011216666_100000742657 [0,1,0,0,0,0|1,0,0]=2 1340 B16R2.611 COCc1ccccc1c2scnc2C 271570a_100010115231_100011493684 [0,1,0,0,0,0|2,0,0]=3 1341 B16R2.611 COCc1ccccc1c2scnc2C 271570a_100011216666_100009817116 [0,1,0,0,0,0|2,0,0]=3 1342 B16R2.611 CSCc1ccccc1c2cccn2C 271570a_100000068268_100000148299 [0,1,0,0,0,0|2,0,0]=3 1343 B16R2.611 CSCc1ccccc1c2ccnn2C 271570a_100000707534_100000148299 [0,1,0,0,0,0|3,0,0]=4 1344 B16R2.611 CSCc1ccccc1c2ccoc2C 271570a_100000070625_100000148299 [0,1,0,0,0,0|3,0,0]=4 1345 B16R2.611 CSCc1ccccc1c2ccsc2C 271570a_100012356473_100000148299 [0,1,0,0,0,0|3,0,0]=4 1346 B16R2.611 CSCc1ccccc1c2ccsc2Cl 271570a_100000117213_100000148299 [0,1,0,0,0,0|3,0,0]=4 1347 B16R2.611 CSCc1ccccc1c2cncn2C 271570a_100009892668_100000148299 [0,1,0,0,0,0|3,0,0]=4 1348 B16R2.611 CSCc1ccccc1c2cscc2C 271570a_100000069996_100000148299 [0,1,0,0,0,0|3,0,0]=4 1349 B16R2.611 CSCc1ccccc1c2n[nH]cc2C 271570a_100102527747_100000148299 [0,1,0,0,0,0|3,0,0]=4 1350 B16R2.611 CSCc1ccccc1c2sccc2C 271570a_100000734444_100000148299 [0,1,0,0,0,0|1,0,0]=2 1351 B16R2.611 CSCc1ccccc1c2scnc2C 271570a_100010115231_100000148299 [0,1,0,0,0,0|2,0,0]=3 1352 B16R2.611 Cc1c[nH]nc1c2ccccc2CNN 271570a_100102527747_200016993956 [0,1,0,0,0,0|3,0,0]=4 1353 B16R2.611 Cc1ccsc1c2ccccc2CC#N 271570a_100000066961_100000742657 [0,1,0,0,0,0|2,0,0]=3 1354 B16R2.611 Cc1ccsc1c2ccccc2CC#N 271570a_100000734444_100000033512 [0,1,0,0,0,0|2,0,0]=3 1355 B16R2.611 Cc1ccsc1c2ccccc2CCN 271570a_100000734444_100000747383 [0,1,0,0,0,0|2,0,0]=3 1356 B16R2.611 Cc1ccsc1c2ccccc2CCO 271570a_100000734444_100000731337 [0,1,0,0,0,0|2,0,0]=3 1357 B16R2.611 Cc1ccsc1c2ccccc2CNN 271570a_100000734444_200016993956 [0,1,0,0,0,0|1,0,0]=2 1358 B16R2.611 Cc1ccsc1c2ccccc2N=[N+]=[N-] 271570a_100000734444_100000762926 [0,1,0,0,0,0|2,0,1]=4 1359 B16R2.611 Cc1ccsc1c2ccccc2NC=O 271570a_200000040256_100000742657 [0,1,0,0,0,0|3,0,0]=4 1360 B16R2.611 Cc1ccsc1c2cccnc2CC#N 271570a_100000734444_100011824415 [0,1,0,0,0,0|3,0,0]=4 1361 B16R2.611 Cc1ccsc1c2ncccc2CC#N 271570a_100000734444_100000096391 [0,1,0,0,0,0|3,0,0]=4 1362 B16R2.611 Cc1cscc1c2ccccc2CNN 271570a_100000069996_200016993956 [0,1,0,0,0,0|3,0,0]=4 1363 B16R2.611 Cc1nccn1c2ccccc2CN[13CH3] 34a_100000724811_200025704644 [0,1,0,0,0,0|3,0,0]=4 1364 B16R2.611 Cc1ncsc1c2ccccc2CC#N 271570a_100000066961_100009817116 [0,1,0,0,0,0|3,0,0]=4 1365 B16R2.611 Cc1ncsc1c2ccccc2CC#N 271570a_100010115231_100000033512 [0,1,0,0,0,0|3,0,0]=4 1366 B16R2.611 Cc1ncsc1c2ccccc2CCN 271570a_100010115231_100000747383 [0,1,0,0,0,0|3,0,0]=4 1367 B16R2.611 Cc1ncsc1c2ccccc2CCO 271570a_100010115231_100000731337 [0,1,0,0,0,0|3,0,0]=4 1368 B16R2.611 Cc1ncsc1c2ccccc2CNN 271570a_100010115231_200016993956 [0,1,0,0,0,0|2,0,0]=3 1369 B16R2.611 Cc1occc1c2ccccc2CNN 271570a_100000070625_200016993956 [0,1,0,0,0,0|3,0,0]=4 1370 B16R2.611 Cc1sccc1c2ccccc2CNN 271570a_100012356473_200016993956 [0,1,0,0,0,0|3,0,0]=4 1371 B16R2.611 Cn1cccc1c2ccccc2CC#N 271570a_100000068268_100000033512 [0,1,0,0,0,0|3,0,0]=4 1372 B16R2.611 Cn1cccc1c2ccccc2CCN 271570a_100000068268_100000747383 [0,1,0,0,0,0|3,0,0]=4 1373 B16R2.611 Cn1cccc1c2ccccc2CCO 271570a_100000068268_100000731337 [0,1,0,0,0,0|3,0,0]=4 1374 B16R2.611 Cn1cccc1c2ccccc2CNN 271570a_100000068268_200016993956 [0,1,0,0,0,0|2,0,0]=3 1375 B16R2.611 Cn1cncc1c2ccccc2CNN 271570a_100009892668_200016993956 [0,1,0,0,0,0|3,0,0]=4 1376 B16R2.611 Cn1nccc1c2ccccc2CNN 271570a_100000707534_200016993956 [0,1,0,0,0,0|3,0,0]=4 1377 B16R2.611 N#CCc1ccccc1c2sccc2Br 271570a_100000066961_100012361411 [0,1,0,0,0,0|2,0,0]=3 1378 B16R2.611 NNCc1ccccc1c2ccsc2Cl 271570a_100000117213_200016993956 [0,1,0,0,0,0|3,0,0]=4 1379 B16R2.611 O=CNc1ccccc1c2sccc2Br 271570a_200000040256_100012361411 [0,1,0,0,0,0|3,0,0]=4 1380 B16R2.1160 CC(C#N)c1ccccc1c2ccco2 271570a_100000750936_200010232107 [0,1,0,0,0,0|2,1,0]=4 1381 B16R2.1160 CC(C#N)c1ccccc1c2cccs2 271570a_100000742291_200010232107 [0,1,0,0,0,0|2,0,0]=3 1382 B16R2.1160 CC(C#N)c1ccccc1c2cncs2 271570a_100010231675_200010232107 [0,1,0,0,0,0|3,0,0]=4 1383 B16R2.1160 CC(N[13CH3])c1ccccc1n2cccn2 2230a_100000687930_200025704644 [0,1,0,0,0,0|2,0,0]=3 1384 B16R2.1160 CCC(=O)c1ccccc1c2ccco2 1458a_100011217322_100000210202 [0,1,0,0,0,0|1,1,1]=4 1385 B16R2.1160 CCC(=O)c1ccccc1c2cccs2 1458a_100011191954_100000210202 [0,1,0,0,0,0|1,0,1]=3 1386 B16R2.1160 CCC(C)c1ccccc1c2c[nH]cn2 271570a_200160469096_100000756875 [0,1,0,0,0,0|3,0,0]=4 1387 B16R2.1160 CCC(C)c1ccccc1c2cc[nH]n2 271570a_200160469096_100000062575 [0,1,0,0,0,0|3,0,0]=4 1388 B16R2.1160 CCC(C)c1ccccc1c2ccco2 271570a_200160469096_100009814098 [0,1,0,0,0,0|1,1,0]=3 1389 B16R2.1160 CCC(C)c1ccccc1c2cccs2 271570a_200160469096_100011215356 [0,1,0,0,0,0|1,0,0]=2 1390 B16R2.1160 CCC(C)c1ccccc1c2ccoc2 271570a_200160469096_100011215275 [0,1,0,0,0,0|3,0,0]=4 1391 B16R2.1160 CCC(C)c1ccccc1c2ccsc2 271570a_200160469096_100000738268 [0,1,0,0,0,0|3,0,0]=4 1392 B16R2.1160 CCC(C)c1ccccc1c2ccsn2 271570a_200160469096_100009818082 [0,1,0,0,0,0|3,0,0]=4 1393 B16R2.1160 CCC(C)c1ccccc1c2cnco2 271570a_200160469096_100020591547 [0,1,0,0,0,0|2,1,0]=4 1394 B16R2.1160 CCC(C)c1ccccc1c2cncs2 271570a_200160469096_100011934649 [0,1,0,0,0,0|2,0,0]=3 1395 B16R2.1160 CCC(C)c1ccccc1c2cscn2 271570a_200160469096_100000751502 [0,1,0,0,0,0|3,0,0]=4 1396 B16R2.1160 CCC(C)c1ccccc1c2ncc[nH]2 271570a_200160469096_100025796157 [0,1,0,0,0,0|3,0,0]=4 1397 B16R2.1160 CCC(C)c1ccccc1c2ncco2 271570a_200160469096_100011787736 [0,1,0,0,0,0|2,1,0]=4 1398 B16R2.1160 CCC(C)c1ccccc1c2nccs2 271570a_200160469096_100000211983 [0,1,0,0,0,0|2,0,0]=3 1399 B16R2.1160 CCC(C)c1ccccc1c2ncns2 271570a_200160469096_100000693119 [0,1,0,0,0,0|3,0,0]=4 1400 B16R2.1160 CCC(C)c1ccccc1c2nncs2 271570a_200160469096_100000739804 [0,1,0,0,0,0|3,0,0]=4 1401 B16R2.1160 CNC(=O)c1ccccc1c2c[nH]cn2 271570a_100010369252_100000756875 [0,1,0,0,0,0|2,0,1]=4 1402 B16R2.1160 CNC(=O)c1ccccc1c2cc[nH]c2 271570a_100000102155_100000155073 [0,1,0,0,0,0|2,0,1]=4 1403 B16R2.1160 CNC(=O)c1ccccc1c2cc[nH]n2 271570a_100000062414_100000155073 [0,1,0,0,0,0|2,0,1]=4 1404 B16R2.1160 CNC(=O)c1ccccc1c2cc[nH]n2 271570a_100010369252_100000062575 [0,1,0,0,0,0|2,0,1]=4 1405 B16R2.1160 CNC(=O)c1ccccc1c2ccco2 11a_106832991635_100011217322 [0,1,0,0,0,0|0,1,1]=3 1406 B16R2.1160 CNC(=O)c1ccccc1c2ccco2 1626a_100102657272_100011217322 [0,1,0,0,0,0|0,1,1]=3 1407 B16R2.1160 CNC(=O)c1ccccc1c2ccco2 240690a_100102657272_100011217322 [0,1,0,0,0,0|0,1,1]=3 1408 B16R2.1160 CNC(=O)c1ccccc1c2ccco2 271570a_100000750936_100000155073 [0,1,0,0,0,0|0,1,1]=3 1409 B16R2.1160 CNC(=O)c1ccccc1c2ccco2 271570a_100010369252_100009814098 [0,1,0,0,0,0|0,1,1]=3 1410 B16R2.1160 CNC(=O)c1ccccc1c2ccco2 527a_100102657272_100011217322 [0,1,0,0,0,0|0,1,1]=3 1411 B16R2.1160 CNC(=O)c1ccccc1c2cccs2 11a_106832991635_100011191954 [0,1,0,0,0,0|0,0,1]=2 1412 B16R2.1160 CNC(=O)c1ccccc1c2cccs2 1626a_100102657272_100011191954 [0,1,0,0,0,0|0,0,1]=2 1413 B16R2.1160 CNC(=O)c1ccccc1c2cccs2 240690a_100102657272_100011191954 [0,1,0,0,0,0|0,0,1]=2 1414 B16R2.1160 CNC(=O)c1ccccc1c2cccs2 271570a_100000742291_100000155073 [0,1,0,0,0,0|0,0,1]=2 1415 B16R2.1160 CNC(=O)c1ccccc1c2cccs2 271570a_100010369252_100011215356 [0,1,0,0,0,0|0,0,1]=2 1416 B16R2.1160 CNC(=O)c1ccccc1c2ccoc2 271570a_100010369252_100011215275 [0,1,0,0,0,0|2,0,1]=4 1417 B16R2.1160 CNC(=O)c1ccccc1c2ccoc2 271570a_100011218838_100000155073 [0,1,0,0,0,0|2,0,1]=4 1418 B16R2.1160 CNC(=O)c1ccccc1c2ccsc2 271570a_100010369252_100000738268 [0,1,0,0,0,0|2,0,1]=4 1419 B16R2.1160 CNC(=O)c1ccccc1c2ccsc2 271570a_100011934443_100000155073 [0,1,0,0,0,0|2,0,1]=4 1420 B16R2.1160 CNC(=O)c1ccccc1c2ccsn2 271570a_100010369252_100009818082 [0,1,0,0,0,0|2,0,1]=4 1421 B16R2.1160 CNC(=O)c1ccccc1c2cnco2 1626a_100102657272_100009843545 [0,1,0,0,0,0|1,1,1]=4 1422 B16R2.1160 CNC(=O)c1ccccc1c2cnco2 240690a_100102657272_100009843545 [0,1,0,0,0,0|1,1,1]=4 1423 B16R2.1160 CNC(=O)c1ccccc1c2cnco2 271570a_100010369252_100020591547 [0,1,0,0,0,0|1,1,1]=4 1424 B16R2.1160 CNC(=O)c1ccccc1c2cnco2 527a_100102657272_100009843545 [0,1,0,0,0,0|1,1,1]=4 1425 B16R2.1160 CNC(=O)c1ccccc1c2cncs2 271570a_100010231675_100000155073 [0,1,0,0,0,0|1,0,1]=3 1426 B16R2.1160 CNC(=O)c1ccccc1c2cncs2 271570a_100010369252_100011934649 [0,1,0,0,0,0|1,0,1]=3 1427 B16R2.1160 CNC(=O)c1ccccc1c2cscn2 271570a_100010369252_100000751502 [0,1,0,0,0,0|2,0,1]=4 1428 B16R2.1160 CNC(=O)c1ccccc1c2ncc[nH]2 271570a_100010369252_100025796157 [0,1,0,0,0,0|2,0,1]=4 1429 B16R2.1160 CNC(=O)c1ccccc1c2ncc[nH]2 271570a_100016988920_100000155073 [0,1,0,0,0,0|2,0,1]=4 1430 B16R2.1160 CNC(=O)c1ccccc1c2ncco2 271570a_100010369252_100011787736 [0,1,0,0,0,0|1,1,1]=4 1431 B16R2.1160 CNC(=O)c1ccccc1c2nccs2 271570a_100010369252_100000211983 [0,1,0,0,0,0|1,0,1]=3 1432 B16R2.1160 CNC(=O)c1ccccc1c2ncns2 271570a_100010369252_100000693119 [0,1,0,0,0,0|2,0,1]=4 1433 B16R2.1160 CNC(=O)c1ccccc1c2nncs2 271570a_100010369252_100000739804 [0,1,0,0,0,0|2,0,1]=4 1434 B16R2.1160 CNC(=O)c1ccccc1n2cccc2 11a_106832991635_100000215680 [0,1,0,0,0,0|2,0,1]=4 1435 B16R2.1160 CNC(=O)c1ccccc1n2cccc2 1626a_100102657272_100000215680 [0,1,0,0,0,0|2,0,1]=4 1436 B16R2.1160 CNC(=O)c1ccccc1n2cccc2 527a_100102657272_100000215680 [0,1,0,0,0,0|2,0,1]=4 1437 B16R2.1160 CNC(=O)c1ccccc1n2cccn2 11a_106832991635_100000739553 [0,1,0,0,0,0|2,0,1]=4 1438 B16R2.1160 CNC(=O)c1ccccc1n2cccn2 1626a_100102657272_100000739553 [0,1,0,0,0,0|2,0,1]=4 1439 B16R2.1160 CNC(=O)c1ccccc1n2cccn2 240690a_100102657272_100000739553 [0,1,0,0,0,0|2,0,1]=4 1440 B16R2.1160 CNC(=O)c1ccccc1n2cccn2 527a_100102657272_100000739553 [0,1,0,0,0,0|2,0,1]=4 1441 B16R2.1160 CNC(=O)c1cccnc1c2ccco2 271570a_100000750936_100000159833 [0,1,0,0,0,0|1,1,1]=4 1442 B16R2.1160 CNC(=O)c1cccnc1c2cccs2 271570a_100000742291_100000159833 [0,1,0,0,0,0|1,0,1]=3 1443 B16R2.1160 CNC(=O)c1cccnc1c2cncs2 271570a_100010231675_100000159833 [0,1,0,0,0,0|2,0,1]=4 1444 B16R2.1160 CNC(C)c1ccccc1C2=CCCC2 271570a_100000089523_100000692418 [0,1,0,0,0,0|1,0,2]=4 1445 B16R2.1160 CNC(C)c1ccccc1C2=CCOC2 271570a_100009872500_100000692418 [0,1,0,0,0,0|2,0,1]=4 1446 B16R2.1160 CNC(C)c1ccccc1C2=COCC2 271570a_100000118173_100000692418 [0,1,0,0,0,0|2,0,1]=4 1447 B16R2.1160 CNC(C)c1ccccc1c2cc[nH]c2 271570a_100000102155_100000692418 [0,1,0,0,0,0|2,0,0]=3 1448 B16R2.1160 CNC(C)c1ccccc1c2cc[nH]n2 271570a_100000062414_100000692418 [0,1,0,0,0,0|2,0,0]=3 1449 B16R2.1160 CNC(C)c1ccccc1c2ccco2 271570a_100000750936_100000692418 [0,1,0,0,0,0|0,1,0]=2 1450 B16R2.1160 CNC(C)c1ccccc1c2cccs2 271570a_100000742291_100000692418 [0,1,0,0,0,0|0,0,0]=1 1451 B16R2.1160 CNC(C)c1ccccc1c2ccoc2 271570a_100011218838_100000692418 [0,1,0,0,0,0|2,0,0]=3 1452 B16R2.1160 CNC(C)c1ccccc1c2ccsc2 271570a_100011934443_100000692418 [0,1,0,0,0,0|2,0,0]=3 1453 B16R2.1160 CNC(C)c1ccccc1c2cn[nH]c2 271570a_100000041997_100000692418 [0,1,0,0,0,0|3,0,0]=4 1454 B16R2.1160 CNC(C)c1ccccc1c2cncs2 271570a_100010231675_100000692418 [0,1,0,0,0,0|1,0,0]=2 1455 B16R2.1160 CNC(C)c1ccccc1c2ncc[nH]2 271570a_100016988920_100000692418 [0,1,0,0,0,0|2,0,0]=3 1456 B16R2.1160 CNC(C)c1ccccc1n2cccn2 2230a_100000687930_200000210301 [0,1,0,0,0,0|2,0,0]=3 1457 B16R2.1160 COC(=O)c1ccccc1c2ccco2 271570a_100000034818_100009814098 [0,1,0,0,0,0|1,1,1]=4 1458 B16R2.1160 COC(=O)c1ccccc1c2ccco2 271570a_100000750936_100000148710 [0,1,0,0,0,0|1,1,1]=4 1459 B16R2.1160 COC(=O)c1ccccc1c2cccs2 271570a_100000034818_100011215356 [0,1,0,0,0,0|1,0,1]=3 1460 B16R2.1160 COC(=O)c1ccccc1c2cccs2 271570a_100000742291_100000148710 [0,1,0,0,0,0|1,0,1]=3 1461 B16R2.1160 COC(=O)c1ccccc1c2cncs2 271570a_100000034818_100011934649 [0,1,0,0,0,0|2,0,1]=4 1462 B16R2.1160 COC(=O)c1ccccc1c2cncs2 271570a_100010231675_100000148710 [0,1,0,0,0,0|2,0,1]=4 1463 B16R2.1160 COC(=O)c1ccccc1c2nccs2 271570a_100000034818_100000211983 [0,1,0,0,0,0|2,0,1]=4 1464 B16R2.1160 COC(=O)c1cccnc1c2cccs2 271570a_100000742291_100000150852 [0,1,0,0,0,0|2,0,1]=4 1465 B16R2.1160 COC(=O)c1ccncc1c2cccs2 271570a_100000742291_100010008606 [0,1,0,0,0,0|2,0,1]=4 1466 B16R2.1160 COC(=O)c1cnccc1c2cccs2 271570a_100000742291_100020629055 [0,1,0,0,0,0|2,0,1]=4 1467 B16R2.1160 COC(=O)c1ncccc1c2cccs2 271570a_100000742291_100011935214 [0,1,0,0,0,0|2,0,1]=4 1468 B16R2.1160 CO[C@@H](C)c1ncccc1c2ccco2 271570a_100000750936_106256553109 [0,1,0,0,0,0|2,1,0]=4 1469 B16R2.1160 CO[C@@H](C)c1ncccc1c2cccs2 271570a_100000742291_106256553109 [0,1,0,0,0,0|2,0,0]=3 1470 B16R2.1160 CO[C@@H](C)c1ncccc1c2cncs2 271570a_100010231675_106256553109 [0,1,0,0,0,0|3,0,0]=4 1471 B16R2.1160 NCC(O)c1ccccc1c2ccco2 271570a_100000750936_100011236429 [0,1,0,0,0,0|2,1,0]=4 1472 B16R2.1160 NCC(O)c1ccccc1c2cccs2 271570a_100000742291_100011236429 [0,1,0,0,0,0|2,0,0]=3 1473 B16R2.1160 NCC(O)c1ccccc1c2cncs2 271570a_100010231675_100011236429 [0,1,0,0,0,0|3,0,0]=4 1474 B16R2.1160 NNC(=O)c1ccccc1c2ccco2 271570a_100000750936_100000190081 [0,1,0,0,0,0|1,1,1]=4 1475 B16R2.1160 NNC(=O)c1ccccc1c2cccs2 271570a_100000742291_100000190081 [0,1,0,0,0,0|1,0,1]=3 1476 B16R2.1160 NNC(=O)c1ccccc1c2cncs2 271570a_100010231675_100000190081 [0,1,0,0,0,0|2,0,1]=4 1477 B16R2.1160 N[C@H](CO)c1ccccc1c2ccco2 271570a_100000750936_100161155918 [0,1,0,0,0,0|2,1,0]=4 1478 B16R2.1160 N[C@H](CO)c1ccccc1c2cccs2 271570a_100000742291_100161155918 [0,1,0,0,0,0|2,0,0]=3 1479 B16R2.1160 N[C@H](CO)c1ccccc1c2cncs2 271570a_100010231675_100161155918 [0,1,0,0,0,0|3,0,0]=4 1480 B16R2.1160 O=C(CF)c1ccccc1c2cccs2 1458a_100011191954_100015361967 [0,1,0,0,0,0|2,0,1]=4 1481 B16R2.11762 CCCc1cnc(nc1c2cccs2)C 271570a_100000742291_200000069602 [0,1,0,0,0,0|3,0,0]=4 1482 B16R2.11762 CCOc1ccc(cc1c2ccco2)C 271570a_100000750936_200000230997 [0,1,0,0,0,0|2,1,0]=4 1483 B16R2.11762 CCOc1ccc(cc1c2ccco2)C 271570a_100011263111_100009814098 [0,1,0,0,0,0|2,1,0]=4 1484 B16R2.11762 CCOc1ccc(cc1c2ccco2)Cl 271570a_100000043669_100009814098 [0,1,0,0,0,0|2,1,0]=4 1485 B16R2.11762 CCOc1ccc(cc1c2ccco2)F 271570a_100000750936_100000171695 [0,1,0,0,0,0|2,1,0]=4 1486 B16R2.11762 CCOc1ccc(cc1c2ccco2)F 271570a_100011263138_100009814098 [0,1,0,0,0,0|2,1,0]=4 1487 B16R2.11762 CCOc1ccc(cc1c2cccs2)C 271570a_100000742291_200000230997 [0,1,0,0,0,0|2,0,0]=3 1488 B16R2.11762 CCOc1ccc(cc1c2cccs2)C 271570a_100011263111_100011215356 [0,1,0,0,0,0|2,0,0]=3 1489 B16R2.11762 CCOc1ccc(cc1c2cccs2)Cl 271570a_100000043669_100011215356 [0,1,0,0,0,0|2,0,0]=3 1490 B16R2.11762 CCOc1ccc(cc1c2cccs2)F 271570a_100000742291_100000171695 [0,1,0,0,0,0|2,0,0]=3 1491 B16R2.11762 CCOc1ccc(cc1c2cccs2)F 271570a_100011263138_100011215356 [0,1,0,0,0,0|2,0,0]=3 1492 B16R2.11762 CCOc1ccc(cc1c2cncs2)C 271570a_100010231675_200000230997 [0,1,0,0,0,0|3,0,0]=4 1493 B16R2.11762 CCOc1ccc(cc1c2cncs2)C 271570a_100011263111_100011934649 [0,1,0,0,0,0|3,0,0]=4 1494 B16R2.11762 CCOc1ccc(cc1c2cncs2)Cl 271570a_100000043669_100011934649 [0,1,0,0,0,0|3,0,0]=4 1495 B16R2.11762 CCOc1ccc(cc1c2cncs2)F 271570a_100010231675_100000171695 [0,1,0,0,0,0|3,0,0]=4 1496 B16R2.11762 CCOc1ccc(cc1c2cncs2)F 271570a_100011263138_100011934649 [0,1,0,0,0,0|3,0,0]=4 1497 B16R2.11762 CCOc1ccc(cc1c2nccs2)C 271570a_100011263111_100000211983 [0,1,0,0,0,0|3,0,0]=4 1498 B16R2.11762 CCOc1ccc(cc1c2nccs2)Cl 271570a_100000043669_100000211983 [0,1,0,0,0,0|3,0,0]=4 1499 B16R2.11762 CCOc1ccc(cc1c2nccs2)F 271570a_100011263138_100000211983 [0,1,0,0,0,0|3,0,0]=4 1500 B16R2.11762 CCOc1ncc(cc1c2cccs2)Br 271570a_100000742291_200010177599 [0,1,0,0,0,0|3,0,0]=4 1501 B16R2.11762 CNCc1ccc(cc1C2=CCCC2)F 271570a_100000089523_200011192132 [0,1,0,0,0,0|1,0,2]=4 1502 B16R2.11762 CNCc1ccc(cc1C2=CCOC2)F 271570a_100009872500_200011192132 [0,1,0,0,0,0|2,0,1]=4 1503 B16R2.11762 CNCc1ccc(cc1C2=COCC2)F 271570a_100000118173_200011192132 [0,1,0,0,0,0|2,0,1]=4 1504 B16R2.11762 CNCc1ccc(cc1c2cc[nH]c2)F 271570a_100000102155_200011192132 [0,1,0,0,0,0|2,0,0]=3 1505 B16R2.11762 CNCc1ccc(cc1c2cc[nH]n2)Br 26a_100102657272_100009815976 [0,1,0,0,0,0|2,0,0]=3 1506 B16R2.11762 CNCc1ccc(cc1c2cc[nH]n2)C 26a_100102657272_200000080410 [0,1,0,0,0,0|2,0,0]=3 1507 B16R2.11762 CNCc1ccc(cc1c2cc[nH]n2)Cl 26a_100102657272_100000033072 [0,1,0,0,0,0|2,0,0]=3 1508 B16R2.11762 CNCc1ccc(cc1c2cc[nH]n2)F 26a_100102657272_200000065632 [0,1,0,0,0,0|2,0,0]=3 1509 B16R2.11762 CNCc1ccc(cc1c2cc[nH]n2)F 271570a_100000062414_200011192132 [0,1,0,0,0,0|2,0,0]=3 1510 B16R2.11762 CNCc1ccc(cc1c2ccco2)F 271570a_100000750936_200011192132 [0,1,0,0,0,0|0,1,0]=2 1511 B16R2.11762 CNCc1ccc(cc1c2cccs2)F 271570a_100000742291_200011192132 [0,1,0,0,0,0|0,0,0]=1 1512 B16R2.11762 CNCc1ccc(cc1c2ccno2)Br 26a_100102657272_100009815953 [0,1,0,0,0,0|1,1,0]=3 1513 B16R2.11762 CNCc1ccc(cc1c2ccno2)Cl 26a_100102657272_200000031528 [0,1,0,0,0,0|1,1,0]=3 1514 B16R2.11762 CNCc1ccc(cc1c2ccoc2)F 271570a_100011218838_200011192132 [0,1,0,0,0,0|2,0,0]=3 1515 B16R2.11762 CNCc1ccc(cc1c2ccsc2)F 271570a_100011934443_200011192132 [0,1,0,0,0,0|2,0,0]=3 1516 B16R2.11762 CNCc1ccc(cc1c2cn[nH]c2)F 271570a_100000041997_200011192132 [0,1,0,0,0,0|3,0,0]=4 1517 B16R2.11762 CNCc1ccc(cc1c2cncs2)F 271570a_100010231675_200011192132 [0,1,0,0,0,0|1,0,0]=2 1518 B16R2.11762 CNCc1ccc(cc1c2ncc[nH]2)F 271570a_100016988920_200011192132 [0,1,0,0,0,0|2,0,0]=3 1519 B16R2.11762 CNCc1ccc(cc1n2ccnc2)F 34a_200015807669_200000210301 [0,1,0,0,0,0|3,0,0]=4 1520 B16R2.11762 N#CCc1ccc(cc1c2ccco2)F 271570a_100000750936_100011207962 [0,1,0,0,0,0|2,1,0]=4 1521 B16R2.11762 N#CCc1ccc(cc1c2cccs2)F 271570a_100000742291_100011207962 [0,1,0,0,0,0|2,0,0]=3 1522 B16R2.11762 N#CCc1ccc(cc1c2cncs2)F 271570a_100010231675_100011207962 [0,1,0,0,0,0|3,0,0]=4 1523 B16R2.11762 N#CSc1ccc(cc1c2cccs2)F 271570a_100000742291_100025703547 [0,1,0,0,0,0|3,0,0]=4 1524 B16R2.11762 N#CSc1ccc(cc1c2cccs2)N 271570a_100000742291_200012361504 [0,1,0,0,0,0|3,0,0]=4 1525 B16R2.11762 [13CH3]NCc1ccc(cc1n2ccnc2)F 34a_200015807669_200025704644 [0,1,0,0,0,0|3,0,0]=4 1526 B16R2.16247 C=CCc1c(ccnc1F)c2cccs2 271570a_100000742291_200010238768 [0,1,0,0,0,0|2,0,1]=4 1527 B16R2.16247 CCOc1c(cccc1c2ccco2)F 271570a_100000104142_100009814098 [0,1,0,0,0,0|2,1,0]=4 1528 B16R2.16247 CCOc1c(cccc1c2ccco2)F 271570a_100000750936_100010232518 [0,1,0,0,0,0|2,1,0]=4 1529 B16R2.16247 CCOc1c(cccc1c2cccs2)F 271570a_100000104142_100011215356 [0,1,0,0,0,0|2,0,0]=3 1530 B16R2.16247 CCOc1c(cccc1c2cccs2)F 271570a_100000742291_100010232518 [0,1,0,0,0,0|2,0,0]=3 1531 B16R2.16247 CCOc1c(cccc1c2cncs2)F 271570a_100000104142_100011934649 [0,1,0,0,0,0|3,0,0]=4 1532 B16R2.16247 CCOc1c(cccc1c2cncs2)F 271570a_100010231675_100010232518 [0,1,0,0,0,0|3,0,0]=4 1533 B16R2.16247 CCOc1c(cccc1c2nccs2)F 271570a_100000104142_100000211983 [0,1,0,0,0,0|3,0,0]=4 1534 B16R2.16247 CNCc1c(cccc1C2=CCCC2)F 271570a_100000089523_106744473292 [0,1,0,0,0,0|1,0,2]=4 1535 B16R2.16247 CNCc1c(cccc1C2=CCOC2)F 271570a_100009872500_106744473292 [0,1,0,0,0,0|2,0,1]=4 1536 B16R2.16247 CNCc1c(cccc1C2=COCC2)F 271570a_100000118173_106744473292 [0,1,0,0,0,0|2,0,1]=4 1537 B16R2.16247 CNCc1c(cccc1c2cc[nH]c2)F 271570a_100000102155_106744473292 [0,1,0,0,0,0|2,0,0]=3 1538 B16R2.16247 CNCc1c(cccc1c2cc[nH]n2)F 271570a_100000062414_106744473292 [0,1,0,0,0,0|2,0,0]=3 1539 B16R2.16247 CNCc1c(cccc1c2ccco2)F 271570a_100000750936_106744473292 [0,1,0,0,0,0|0,1,0]=2 1540 B16R2.16247 CNCc1c(cccc1c2cccs2)F 271570a_100000742291_106744473292 [0,1,0,0,0,0|0,0,0]=1 1541 B16R2.16247 CNCc1c(cccc1c2ccoc2)F 271570a_100011218838_106744473292 [0,1,0,0,0,0|2,0,0]=3 1542 B16R2.16247 CNCc1c(cccc1c2ccsc2)F 271570a_100011934443_106744473292 [0,1,0,0,0,0|2,0,0]=3 1543 B16R2.16247 CNCc1c(cccc1c2cn[nH]c2)F 271570a_100000041997_106744473292 [0,1,0,0,0,0|3,0,0]=4 1544 B16R2.16247 CNCc1c(cccc1c2cncs2)F 271570a_100010231675_106744473292 [0,1,0,0,0,0|1,0,0]=2 1545 B16R2.16247 CNCc1c(cccc1c2ncc[nH]2)F 271570a_100016988920_106744473292 [0,1,0,0,0,0|2,0,0]=3 1546 B16R2.16247 Cc1cccc(c1CC#N)c2ccco2 271570a_100000750936_100010147027 [0,1,0,0,0,0|2,1,0]=4 1547 B16R2.16247 Cc1cccc(c1CC#N)c2cccs2 271570a_100000742291_100010147027 [0,1,0,0,0,0|2,0,0]=3 1548 B16R2.16247 Cc1cccc(c1CC#N)c2cncs2 271570a_100010231675_100010147027 [0,1,0,0,0,0|3,0,0]=4 1549 B16R2.16247 N#CCc1c(cccc1c2ccco2)F 271570a_100000750936_100009817144 [0,1,0,0,0,0|2,1,0]=4 1550 B16R2.16247 N#CCc1c(cccc1c2cccs2)F 271570a_100000742291_100009817144 [0,1,0,0,0,0|2,0,0]=3 1551 B16R2.16247 N#CCc1c(cccc1c2cncs2)F 271570a_100010231675_100009817144 [0,1,0,0,0,0|3,0,0]=4 1552 B16R2.16247 N#CSc1c(cccc1c2cccs2)F 271570a_100000742291_100025703568 [0,1,0,0,0,0|3,0,0]=4 1553 B16R2.16247 [N-]=[N+]=Nc1c(cccc1c2cccs2)F 271570a_100000742291_100102717373 [0,1,0,0,0,0|2,0,1]=4 1554 B16R2.16577 Cc1cccc(c1c2ccco2)CC#N 271570a_100000750936_100010147024 [0,1,0,0,0,0|2,1,0]=4 1555 B16R2.16577 Cc1cccc(c1c2cccs2)CC#N 271570a_100000742291_100010147024 [0,1,0,0,0,0|2,0,0]=3 1556 B16R2.16577 Cc1cccc(c1c2cncs2)CC#N 271570a_100010231675_100010147024 [0,1,0,0,0,0|3,0,0]=4 1557 B14R1.263 C=CCC(=O)c1ccccc1COC 1458a_100000737999_100000210623 [0,0,1,0,0,0|1,1,1]=4 1558 B14R1.904 C/C=C/COc1ccccc1CNC 34a_100015189988_100102629194 [0,0,1,0,0,0|2,0,1]=4 1559 B14R1.904 C/C=C/CSc1ccccc1CNC 62a_100000184654_100102629194 [0,0,1,0,0,0|2,0,1]=4 1560 B14R1.904 C/C=C/CSc1ccccc1CNC 62a_100102629194_100000184654 [0,0,1,0,0,0|2,0,1]=4 1561 B14R1.904 C=CCCOc1ccccc1CNC 34a_100015189988_100000754431 [0,0,1,0,0,0|2,0,1]=4 1562 B14R1.904 C=CCCSc1ccccc1CNC 62a_100000184654_100000754431 [0,0,1,0,0,0|2,0,1]=4 1563 B14R1.904 C=CCCSc1ccccc1CNC 62a_100000754431_100000184654 [0,0,1,0,0,0|2,0,1]=4 1564 B14R1.904 CC=CCOc1ccccc1CNC 34a_100015189988_100000070051 [0,0,1,0,0,0|2,0,1]=4 1565 B14R1.904 CC=CCSc1ccccc1CNC 62a_100000070051_100000184654 [0,0,1,0,0,0|2,0,1]=4 1566 B14R1.904 CC=CCSc1ccccc1CNC 62a_100000184654_100000070051 [0,0,1,0,0,0|2,0,1]=4 1567 B14R1.904 CCCC=Cc1ccccc1CNC 271570a_100016258520_100000184654 [0,0,1,0,0,0|1,0,2]=4 1568 B14R1.904 CCOC=Cc1ccccc1CNC 271570a_100016256518_100000184654 [0,0,1,0,0,0|2,0,1]=4 1569 B14R1.904 CNCc1ccccc1C=CCOC 271570a_100016286323_100000184654 [0,0,1,0,0,0|2,0,1]=4 1570 B16R3.1766 c1ccc(c(c1)C2CC2)n3cccc3 271570a_100011220607_200000178846 [0,0,0,1,0,0|3,0,0]=4 1571 B16R3.1766 c1ccc(c(c1)C2CC2)n3cccn3 271570a_100011220607_100011313175 [0,0,0,1,0,0|3,0,0]=4 1572 B16R3.1766 c1ccc(c(c1)c2c[nH]cn2)C3CC3 271570a_100010231911_100000756875 [0,0,0,1,0,0|3,0,0]=4 1573 B16R3.1766 c1ccc(c(c1)c2cc[nH]c2)C3CC3 271570a_100000102155_100009819954 [0,0,0,1,0,0|3,0,0]=4 1574 B16R3.1766 c1ccc(c(c1)c2cc[nH]n2)C3CC3 271570a_100000062414_100009819954 [0,0,0,1,0,0|3,0,0]=4 1575 B16R3.1766 c1ccc(c(c1)c2cc[nH]n2)C3CC3 271570a_100010231911_100000062575 [0,0,0,1,0,0|3,0,0]=4 1576 B16R3.1766 c1ccc(c(c1)c2cc[nH]n2)C3CC3 271570a_100011220607_100011216357 [0,0,0,1,0,0|3,0,0]=4 1577 B16R3.1766 c1ccc(c(c1)c2ccno2)C3CC3 271570a_100011220607_100011218344 [0,0,0,1,0,0|2,1,0]=4 1578 B16R3.1766 c1ccc(c(c1)c2ccoc2)C3CC3 271570a_100010231911_100011215275 [0,0,0,1,0,0|3,0,0]=4 1579 B16R3.1766 c1ccc(c(c1)c2ccoc2)C3CC3 271570a_100011218838_100009819954 [0,0,0,1,0,0|3,0,0]=4 1580 B16R3.1766 c1ccc(c(c1)c2ccsc2)C3CC3 271570a_100010231911_100000738268 [0,0,0,1,0,0|3,0,0]=4 1581 B16R3.1766 c1ccc(c(c1)c2ccsc2)C3CC3 271570a_100011934443_100009819954 [0,0,0,1,0,0|3,0,0]=4 1582 B16R3.1766 c1ccc(c(c1)c2ccsn2)C3CC3 271570a_100010231911_100009818082 [0,0,0,1,0,0|3,0,0]=4 1583 B16R3.1766 c1ccc(c(c1)c2cnco2)C3CC3 271570a_100010231911_100020591547 [0,0,0,1,0,0|2,1,0]=4 1584 B16R3.1766 c1ccc(c(c1)c2cnco2)C3CC3 271570a_100011220607_100009816723 [0,0,0,1,0,0|2,1,0]=4 1585 B16R3.1766 c1ccc(c(c1)c2cncs2)C3CC3 271570a_100010231675_100009819954 [0,0,0,1,0,0|2,0,0]=3 1586 B16R3.1766 c1ccc(c(c1)c2cncs2)C3CC3 271570a_100010231911_100011934649 [0,0,0,1,0,0|2,0,0]=3 1587 B16R3.1766 c1ccc(c(c1)c2cocn2)C3CC3 271570a_100011220607_100010198669 [0,0,0,1,0,0|3,0,0]=4 1588 B16R3.1766 c1ccc(c(c1)c2cscn2)C3CC3 271570a_100010231911_100000751502 [0,0,0,1,0,0|3,0,0]=4 1589 B16R3.1766 c1ccc(c(c1)c2ncc[nH]2)C3CC3 271570a_100010231911_100025796157 [0,0,0,1,0,0|3,0,0]=4 1590 B16R3.1766 c1ccc(c(c1)c2ncc[nH]2)C3CC3 271570a_100011220607_100011532729 [0,0,0,1,0,0|3,0,0]=4 1591 B16R3.1766 c1ccc(c(c1)c2ncc[nH]2)C3CC3 271570a_100016988920_100009819954 [0,0,0,1,0,0|3,0,0]=4 1592 B16R3.1766 c1ccc(c(c1)c2ncco2)C3CC3 271570a_100010231911_100011787736 [0,0,0,1,0,0|2,1,0]=4 1593 B16R3.1766 c1ccc(c(c1)c2ncco2)C3CC3 271570a_100011220607_100010188011 [0,0,0,1,0,0|2,1,0]=4 1594 B16R3.1766 c1ccc(c(c1)c2nccs2)C3CC3 271570a_100010231911_100000211983 [0,0,0,1,0,0|2,0,0]=3 1595 B16R3.1766 c1ccc(c(c1)c2nccs2)C3CC3 271570a_100011220607_103496549459 [0,0,0,1,0,0|2,0,0]=3 1596 B16R3.1766 c1ccc(c(c1)c2ncns2)C3CC3 271570a_100010231911_100000693119 [0,0,0,1,0,0|3,0,0]=4 1597 B16R3.1766 c1ccc(c(c1)c2nncs2)C3CC3 271570a_100010231911_100000739804 [0,0,0,1,0,0|3,0,0]=4 1598 B16R3.1766 c1cnc(c(c1)C2CC2)c3cncs3 271570a_100010231675_100009851976 [0,0,0,1,0,0|3,0,0]=4 1599 B16R3.1766 c1coc(c1)c2ccccc2C3CC3 271570a_100000750936_100009819954 [0,0,0,1,0,0|1,1,0]=3 1600 B16R3.1766 c1coc(c1)c2ccccc2C3CC3 271570a_100010231911_100009814098 [0,0,0,1,0,0|1,1,0]=3 1601 B16R3.1766 c1coc(c1)c2ncccc2C3CC3 271570a_100000750936_100009851976 [0,0,0,1,0,0|2,1,0]=4 1602 B16R3.1766 c1csc(c1)c2ccccc2C3CC3 271570a_100000742291_100009819954 [0,0,0,1,0,0|1,0,0]=2 1603 B16R3.1766 c1csc(c1)c2ccccc2C3CC3 271570a_100010231911_100011215356 [0,0,0,1,0,0|1,0,0]=2 1604 B16R3.1766 c1csc(c1)c2cncnc2C3CC3 271570a_100000742291_200009889426 [0,0,0,1,0,0|3,0,0]=4 1605 B16R3.1766 c1csc(c1)c2ncccc2C3CC3 271570a_100000742291_100009851976 [0,0,0,1,0,0|2,0,0]=3 1606 B16R3.5924 C1=C(CCC1)c2cccc3c2CNC3 271570a_100000089523_100000703859 [0,0,0,1,0,0|1,0,2]=4 1607 B16R3.5924 C1=C(CCO1)c2cccc3c2CNC3 271570a_100000118173_100000703859 [0,0,0,1,0,0|2,0,1]=4 1608 B16R3.5924 C1=C(COC1)c2cccc3c2CNC3 271570a_100009872500_100000703859 [0,0,0,1,0,0|2,0,1]=4 1609 B16R3.5924 C1=Cc2cccc(c2C1)c3ccco3 271570a_100000750936_100009844718 [0,0,0,1,0,0|1,1,1]=4 1610 B16R3.5924 C1=Cc2cccc(c2C1)c3cccs3 271570a_100000742291_100009844718 [0,0,0,1,0,0|1,0,1]=3 1611 B16R3.5924 C1=Cc2cccc(c2C1)c3cncs3 271570a_100010231675_100009844718 [0,0,0,1,0,0|2,0,1]=4 1612 B16R3.5924 c1cc(c2c(n1)CCC2)c3cncs3 271570a_100010231675_100000102697 [0,0,0,1,0,0|3,0,0]=4 1613 B16R3.5924 c1cc2c(c(c1)c3c[nH]cn3)CCC2 271570a_100010144219_100000756875 [0,0,0,1,0,0|3,0,0]=4 1614 B16R3.5924 c1cc2c(c(c1)c3cc[nH]c3)CCC2 271570a_100000102155_100010343934 [0,0,0,1,0,0|3,0,0]=4 1615 B16R3.5924 c1cc2c(c(c1)c3cc[nH]c3)CNC2 271570a_100000102155_100000703859 [0,0,0,1,0,0|2,0,0]=3 1616 B16R3.5924 c1cc2c(c(c1)c3cc[nH]c3)COC2 271570a_100000102155_100010384907 [0,0,0,1,0,0|3,0,0]=4 1617 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)CCC2 271570a_100000062414_100010343934 [0,0,0,1,0,0|3,0,0]=4 1618 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)CCC2 271570a_100010144219_100000062575 [0,0,0,1,0,0|3,0,0]=4 1619 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)CNC2 271570a_100000062414_100000703859 [0,0,0,1,0,0|2,0,0]=3 1620 B16R3.5924 c1cc2c(c(c1)c3cc[nH]n3)COC2 271570a_100000062414_100010384907 [0,0,0,1,0,0|3,0,0]=4 1621 B16R3.5924 c1cc2c(c(c1)c3ccoc3)CCC2 271570a_100010144219_100011215275 [0,0,0,1,0,0|3,0,0]=4 1622 B16R3.5924 c1cc2c(c(c1)c3ccoc3)CCC2 271570a_100011218838_100010343934 [0,0,0,1,0,0|3,0,0]=4 1623 B16R3.5924 c1cc2c(c(c1)c3ccoc3)CNC2 271570a_100011218838_100000703859 [0,0,0,1,0,0|2,0,0]=3 1624 B16R3.5924 c1cc2c(c(c1)c3ccoc3)COC2 271570a_100011218838_100010384907 [0,0,0,1,0,0|3,0,0]=4 1625 B16R3.5924 c1cc2c(c(c1)c3ccsc3)CCC2 271570a_100010144219_100000738268 [0,0,0,1,0,0|3,0,0]=4 1626 B16R3.5924 c1cc2c(c(c1)c3ccsc3)CCC2 271570a_100011934443_100010343934 [0,0,0,1,0,0|3,0,0]=4 1627 B16R3.5924 c1cc2c(c(c1)c3ccsc3)CNC2 271570a_100011934443_100000703859 [0,0,0,1,0,0|2,0,0]=3 1628 B16R3.5924 c1cc2c(c(c1)c3ccsc3)COC2 271570a_100011934443_100010384907 [0,0,0,1,0,0|3,0,0]=4 1629 B16R3.5924 c1cc2c(c(c1)c3ccsn3)CCC2 271570a_100010144219_100009818082 [0,0,0,1,0,0|3,0,0]=4 1630 B16R3.5924 c1cc2c(c(c1)c3cn[nH]c3)CNC2 271570a_100000041997_100000703859 [0,0,0,1,0,0|3,0,0]=4 1631 B16R3.5924 c1cc2c(c(c1)c3cnco3)CCC2 271570a_100010144219_100020591547 [0,0,0,1,0,0|2,1,0]=4 1632 B16R3.5924 c1cc2c(c(c1)c3cncs3)CCC2 271570a_100010144219_100011934649 [0,0,0,1,0,0|2,0,0]=3 1633 B16R3.5924 c1cc2c(c(c1)c3cncs3)CCC2 271570a_100010231675_100010343934 [0,0,0,1,0,0|2,0,0]=3 1634 B16R3.5924 c1cc2c(c(c1)c3cncs3)CCN2 271570a_100010231675_100009817896 [0,0,0,1,0,0|3,0,0]=4 1635 B16R3.5924 c1cc2c(c(c1)c3cncs3)CCO2 271570a_100010231675_100009819624 [0,0,0,1,0,0|3,0,0]=4 1636 B16R3.5924 c1cc2c(c(c1)c3cncs3)CNC2 271570a_100010231675_100000703859 [0,0,0,1,0,0|1,0,0]=2 1637 B16R3.5924 c1cc2c(c(c1)c3cncs3)COC2 271570a_100010231675_100010384907 [0,0,0,1,0,0|2,0,0]=3 1638 B16R3.5924 c1cc2c(c(c1)c3cncs3)NCC2 271570a_100010231675_100016995435 [0,0,0,1,0,0|3,0,0]=4 1639 B16R3.5924 c1cc2c(c(c1)c3cncs3)OCC2 271570a_100010231675_100009818991 [0,0,0,1,0,0|3,0,0]=4 1640 B16R3.5924 c1cc2c(c(c1)c3cncs3)OCC2 271570a_100012360005_100011934649 [0,0,0,1,0,0|3,0,0]=4 1641 B16R3.5924 c1cc2c(c(c1)c3cscn3)CCC2 271570a_100010144219_100000751502 [0,0,0,1,0,0|3,0,0]=4 1642 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCC2 271570a_100010144219_100025796157 [0,0,0,1,0,0|3,0,0]=4 1643 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CCC2 271570a_100016988920_100010343934 [0,0,0,1,0,0|3,0,0]=4 1644 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)CNC2 271570a_100016988920_100000703859 [0,0,0,1,0,0|2,0,0]=3 1645 B16R3.5924 c1cc2c(c(c1)c3ncc[nH]3)COC2 271570a_100016988920_100010384907 [0,0,0,1,0,0|3,0,0]=4 1646 B16R3.5924 c1cc2c(c(c1)c3ncco3)CCC2 271570a_100010144219_100011787736 [0,0,0,1,0,0|2,1,0]=4 1647 B16R3.5924 c1cc2c(c(c1)c3nccs3)CCC2 271570a_100010144219_100000211983 [0,0,0,1,0,0|2,0,0]=3 1648 B16R3.5924 c1cc2c(c(c1)c3nccs3)OCC2 271570a_100012360005_100000211983 [0,0,0,1,0,0|3,0,0]=4 1649 B16R3.5924 c1cc2c(c(c1)c3ncns3)CCC2 271570a_100010144219_100000693119 [0,0,0,1,0,0|3,0,0]=4 1650 B16R3.5924 c1cc2c(c(c1)c3nncs3)CCC2 271570a_100010144219_100000739804 [0,0,0,1,0,0|3,0,0]=4 1651 B16R3.5924 c1coc(c1)c2cccc3c2CCC3 271570a_100000750936_100010343934 [0,0,0,1,0,0|1,1,0]=3 1652 B16R3.5924 c1coc(c1)c2cccc3c2CCC3 271570a_100010144219_100009814098 [0,0,0,1,0,0|1,1,0]=3 1653 B16R3.5924 c1coc(c1)c2cccc3c2CCN3 271570a_100000750936_100009817896 [0,0,0,1,0,0|2,1,0]=4 1654 B16R3.5924 c1coc(c1)c2cccc3c2CCO3 271570a_100000750936_100009819624 [0,0,0,1,0,0|2,1,0]=4 1655 B16R3.5924 c1coc(c1)c2cccc3c2CNC3 271570a_100000750936_100000703859 [0,0,0,1,0,0|0,1,0]=2 1656 B16R3.5924 c1coc(c1)c2cccc3c2COC3 271570a_100000750936_100010384907 [0,0,0,1,0,0|1,1,0]=3 1657 B16R3.5924 c1coc(c1)c2cccc3c2NCC3 271570a_100000750936_100016995435 [0,0,0,1,0,0|2,1,0]=4 1658 B16R3.5924 c1coc(c1)c2cccc3c2OCC3 271570a_100000750936_100009818991 [0,0,0,1,0,0|2,1,0]=4 1659 B16R3.5924 c1coc(c1)c2cccc3c2OCC3 271570a_100012360005_100009814098 [0,0,0,1,0,0|2,1,0]=4 1660 B16R3.5924 c1coc(c1)c2ccnc3c2CCC3 271570a_100000750936_100000102697 [0,0,0,1,0,0|2,1,0]=4 1661 B16R3.5924 c1csc(c1)c2cccc3c2CCC3 271570a_100000742291_100010343934 [0,0,0,1,0,0|1,0,0]=2 1662 B16R3.5924 c1csc(c1)c2cccc3c2CCC3 271570a_100010144219_100011215356 [0,0,0,1,0,0|1,0,0]=2 1663 B16R3.5924 c1csc(c1)c2cccc3c2CCN3 271570a_100000742291_100009817896 [0,0,0,1,0,0|2,0,0]=3 1664 B16R3.5924 c1csc(c1)c2cccc3c2CCO3 271570a_100000742291_100009819624 [0,0,0,1,0,0|2,0,0]=3 1665 B16R3.5924 c1csc(c1)c2cccc3c2CNC3 271570a_100000742291_100000703859 [0,0,0,1,0,0|0,0,0]=1 1666 B16R3.5924 c1csc(c1)c2cccc3c2COC3 271570a_100000742291_100010384907 [0,0,0,1,0,0|1,0,0]=2 1667 B16R3.5924 c1csc(c1)c2cccc3c2NCC3 271570a_100000742291_100016995435 [0,0,0,1,0,0|2,0,0]=3 1668 B16R3.5924 c1csc(c1)c2cccc3c2OCC3 271570a_100000742291_100009818991 [0,0,0,1,0,0|2,0,0]=3 1669 B16R3.5924 c1csc(c1)c2cccc3c2OCC3 271570a_100012360005_100011215356 [0,0,0,1,0,0|2,0,0]=3 1670 B16R3.5924 c1csc(c1)c2cccc3c2OCO3 271570a_100000079947_100011215356 [0,0,0,1,0,0|3,0,0]=4 1671 B16R3.5924 c1csc(c1)c2cccc3c2OCO3 271570a_100000742291_100009814252 [0,0,0,1,0,0|3,0,0]=4 1672 B16R3.5924 c1csc(c1)c2cccc3c2[nH]cc3 271570a_100000069292_100011215356 [0,0,0,1,0,0|2,0,1]=4 1673 B16R3.5924 c1csc(c1)c2cccc3c2[nH]cc3 271570a_100000742291_100009813418 [0,0,0,1,0,0|2,0,1]=4 1674 B16R3.5924 c1csc(c1)c2cccc3c2[nH]nc3 271570a_100000742291_100009816125 [0,0,0,1,0,0|1,0,2]=4 1675 B16R3.5924 c1csc(c1)c2cccc3c2[nH]nc3 271570a_100010187389_100011215356 [0,0,0,1,0,0|1,0,2]=4 1676 B16R3.5924 c1csc(c1)c2cccc3c2[nH]nn3 271570a_100000742291_100009820029 [0,0,0,1,0,0|2,0,1]=4 1677 B16R3.5924 c1csc(c1)c2cccc3c2cc[nH]3 271570a_100000069030_100011215356 [0,0,0,1,0,0|2,0,1]=4 1678 B16R3.5924 c1csc(c1)c2cccc3c2cc[nH]3 271570a_100000742291_100000685724 [0,0,0,1,0,0|2,0,1]=4 1679 B16R3.5924 c1csc(c1)c2cccc3c2cco3 271570a_100000742291_100000756496 [0,0,0,1,0,0|2,0,1]=4 1680 B16R3.5924 c1csc(c1)c2cccc3c2ccs3 271570a_100000742291_100009816950 [0,0,0,1,0,0|2,0,1]=4 1681 B16R3.5924 c1csc(c1)c2cccc3c2ccs3 271570a_100010179806_100011215356 [0,0,0,1,0,0|2,0,1]=4 1682 B16R3.5924 c1csc(c1)c2cccc3c2cn[nH]3 271570a_100000068625_100011215356 [0,0,0,1,0,0|1,0,2]=4 1683 B16R3.5924 c1csc(c1)c2cccc3c2cn[nH]3 271570a_100000742291_100000753301 [0,0,0,1,0,0|1,0,2]=4 1684 B16R3.5924 c1csc(c1)c2cccc3c2cno3 271570a_100000742291_100009818589 [0,0,0,1,0,0|1,0,2]=4 1685 B16R3.5924 c1csc(c1)c2cccc3c2nc[nH]3 271570a_100000742291_100011935113 [0,0,0,1,0,0|3,0,0]=4 1686 B16R3.5924 c1csc(c1)c2cccc3c2nco3 271570a_100000742291_100009816834 [0,0,0,1,0,0|3,0,0]=4 1687 B16R3.5924 c1csc(c1)c2cccc3c2ncs3 271570a_100000742291_100000726125 [0,0,0,1,0,0|3,0,0]=4 1688 B16R3.5924 c1csc(c1)c2cccc3c2non3 271570a_100000742291_100009820244 [0,0,0,1,0,0|3,0,0]=4 1689 B16R3.5924 c1csc(c1)c2cccc3c2nsn3 271570a_100000742291_100000742359 [0,0,0,1,0,0|3,0,0]=4 1690 B16R3.5924 c1csc(c1)c2cccc3c2nsn3 271570a_100010393532_100011215356 [0,0,0,1,0,0|3,0,0]=4 1691 B16R3.5924 c1csc(c1)c2cccc3c2occ3 271570a_100000742291_100011935138 [0,0,0,1,0,0|2,0,1]=4 1692 B16R3.5924 c1csc(c1)c2cccc3c2occ3 271570a_100010270576_100011215356 [0,0,0,1,0,0|2,0,1]=4 1693 B16R3.5924 c1csc(c1)c2cccc3c2ocn3 271570a_100000742291_100000728214 [0,0,0,1,0,0|3,0,0]=4 1694 B16R3.5924 c1csc(c1)c2cccc3c2ocn3 271570a_100010082643_100011215356 [0,0,0,1,0,0|3,0,0]=4 1695 B16R3.5924 c1csc(c1)c2cccc3c2onc3 271570a_100000742291_100000765530 [0,0,0,1,0,0|1,0,2]=4 1696 B16R3.5924 c1csc(c1)c2cccc3c2scc3 271570a_100000742291_100000766737 [0,0,0,1,0,0|2,0,1]=4 1697 B16R3.5924 c1csc(c1)c2cccc3c2scc3 271570a_100011934518_100011215356 [0,0,0,1,0,0|2,0,1]=4 1698 B16R3.5924 c1csc(c1)c2cccc3c2scn3 271570a_100000742291_100010246326 [0,0,0,1,0,0|3,0,0]=4 1699 B16R3.5924 c1csc(c1)c2ccnc3c2CCC3 271570a_100000742291_100000102697 [0,0,0,1,0,0|2,0,0]=3 1700 B16R3.5924 c1csc(c1)c2nccc3c2CCN3 271570a_100000742291_100000104060 [0,0,0,1,0,0|3,0,0]=4 1701 B16R3.5924 c1csc(c1)c2ncnc3c2CCC3 271570a_100000742291_100000750143 [0,0,0,1,0,0|3,0,0]=4 1702 B14R2.245 CCCn1nccc1c2cccs2 271570a_100012343769_100011215356 [0,0,0,0,1,0|3,0,0]=4 1703 B14R2.245 CNCc1c[nH]nc1c2cccs2 207a_100102657272_100000239666 [0,0,0,0,1,0|2,0,0]=3 1704 B14R2.245 CNCc1c[nH]nc1c2cccs2 270004a_106832991635_100000239666 [0,0,0,0,1,0|2,0,0]=3 1705 B14R2.245 CNCc1cccn1c2nccs2 270004a_106832991635_200000027399 [0,0,0,0,1,0|2,0,0]=3 1706 B14R2.245 CNCc1ccsc1c2cc[nH]c2 271570a_100000102155_100009817074 [0,0,0,0,1,0|3,0,0]=4 1707 B14R2.245 CNCc1ccsc1c2cc[nH]n2 271570a_100000062414_100009817074 [0,0,0,0,1,0|3,0,0]=4 1708 B14R2.245 CNCc1ccsc1c2ccco2 271570a_100000750936_100009817074 [0,0,0,0,1,0|1,1,0]=3 1709 B14R2.245 CNCc1ccsc1c2cccs2 271570a_100000742291_100009817074 [0,0,0,0,1,0|1,0,0]=2 1710 B14R2.245 CNCc1ccsc1c2ccoc2 271570a_100011218838_100009817074 [0,0,0,0,1,0|3,0,0]=4 1711 B14R2.245 CNCc1ccsc1c2ccsc2 271570a_100011934443_100009817074 [0,0,0,0,1,0|3,0,0]=4 1712 B14R2.245 CNCc1ccsc1c2cncs2 271570a_100010231675_100009817074 [0,0,0,0,1,0|2,0,0]=3 1713 B14R2.245 CNCc1ccsc1c2ncc[nH]2 271570a_100016988920_100009817074 [0,0,0,0,1,0|3,0,0]=4 1714 B14R2.245 CNCc1cscc1c2cc[nH]c2 271570a_100000102155_100011935083 [0,0,0,0,1,0|3,0,0]=4 1715 B14R2.245 CNCc1cscc1c2cc[nH]n2 271570a_100000062414_100011935083 [0,0,0,0,1,0|3,0,0]=4 1716 B14R2.245 CNCc1cscc1c2ccco2 271570a_100000750936_100011935083 [0,0,0,0,1,0|1,1,0]=3 1717 B14R2.245 CNCc1cscc1c2cccs2 271570a_100000742291_100011935083 [0,0,0,0,1,0|1,0,0]=2 1718 B14R2.245 CNCc1cscc1c2ccoc2 271570a_100011218838_100011935083 [0,0,0,0,1,0|3,0,0]=4 1719 B14R2.245 CNCc1cscc1c2ccsc2 271570a_100011934443_100011935083 [0,0,0,0,1,0|3,0,0]=4 1720 B14R2.245 CNCc1cscc1c2cncs2 271570a_100010231675_100011935083 [0,0,0,0,1,0|2,0,0]=3 1721 B14R2.245 CNCc1cscc1c2ncc[nH]2 271570a_100016988920_100011935083 [0,0,0,0,1,0|3,0,0]=4 1722 B14R2.245 CNCc1sccc1c2cc[nH]c2 271570a_100000102155_100000767120 [0,0,0,0,1,0|3,0,0]=4 1723 B14R2.245 CNCc1sccc1c2cc[nH]n2 271570a_100000062414_100000767120 [0,0,0,0,1,0|3,0,0]=4 1724 B14R2.245 CNCc1sccc1c2ccco2 271570a_100000750936_100000767120 [0,0,0,0,1,0|1,1,0]=3 1725 B14R2.245 CNCc1sccc1c2cccs2 271570a_100000742291_100000767120 [0,0,0,0,1,0|1,0,0]=2 1726 B14R2.245 CNCc1sccc1c2ccoc2 271570a_100011218838_100000767120 [0,0,0,0,1,0|3,0,0]=4 1727 B14R2.245 CNCc1sccc1c2ccsc2 271570a_100011934443_100000767120 [0,0,0,0,1,0|3,0,0]=4 1728 B14R2.245 CNCc1sccc1c2cncs2 271570a_100010231675_100000767120 [0,0,0,0,1,0|2,0,0]=3 1729 B14R2.245 CNCc1sccc1c2ncc[nH]2 271570a_100016988920_100000767120 [0,0,0,0,1,0|3,0,0]=4 1730 B16R2.98 C=CCc1ccccc1c2ccccc2 271570a_100011218836_100009828059 [0,0,0,0,0,1|2,0,1]=4 1731 B16R2.98 C=CCc1ccccc1c2ccccc2 271570a_200010742005_100000210277 [0,0,0,0,0,1|2,0,1]=4 1732 B16R2.98 C=CCc1ccccc1c2ccccn2 271570a_100011264011_100009828059 [0,0,0,0,0,1|2,0,1]=4 1733 B16R2.98 C=CCc1ccccc1c2ccccn2 271570a_200010742005_100011216584 [0,0,0,0,0,1|2,0,1]=4 1734 B16R2.98 C=CCc1ccccc1c2cccnc2 271570a_100000757648_100009828059 [0,0,0,0,0,1|2,0,1]=4 1735 B16R2.98 C=CCc1ccccc1c2cccnc2 271570a_200010742005_100000752921 [0,0,0,0,0,1|2,0,1]=4 1736 B16R2.98 C=CCc1ccccc1c2cccnn2 271570a_200010742005_100016991348 [0,0,0,0,0,1|2,0,1]=4 1737 B16R2.98 C=CCc1ccccc1c2ccncc2 271570a_100000752145_100009828059 [0,0,0,0,0,1|2,0,1]=4 1738 B16R2.98 C=CCc1ccccc1c2ccncc2 271570a_200010742005_100000035832 [0,0,0,0,0,1|2,0,1]=4 1739 B16R2.98 C=CCc1ccccc1c2ccncn2 271570a_200010742005_100000703185 [0,0,0,0,0,1|2,0,1]=4 1740 B16R2.98 C=CCc1ccccc1c2cnccn2 271570a_100011962566_100009828059 [0,0,0,0,0,1|2,0,1]=4 1741 B16R2.98 C=CCc1ccccc1c2cnccn2 271570a_200010742005_100000758340 [0,0,0,0,0,1|2,0,1]=4 1742 B16R2.98 C=CCc1ccccc1c2ncccn2 271570a_200010742005_100000211032 [0,0,0,0,0,1|2,0,1]=4 1743 B16R2.98 CC=Cc1ccccc1c2ccccc2 271570a_100016259895_100000033479 [0,0,0,0,0,1|2,0,1]=4 1744 B16R2.98 CC=Cc1ccccc1c2ccccn2 271570a_100016259895_100010202516 [0,0,0,0,0,1|2,0,1]=4 1745 B16R2.98 CC=Cc1ccccc1c2ccncc2 271570a_100016259895_100010154595 [0,0,0,0,0,1|2,0,1]=4 1746 B16R2.98 CCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000210202 [0,0,0,0,0,1|3,0,0]=4 1747 B16R2.98 CCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000210202 [0,0,0,0,0,1|3,0,0]=4 1748 B16R2.98 CCNc1ccccc1c2ccccc2 271570a_100011218836_114873767003 [0,0,0,0,0,1|3,0,0]=4 1749 B16R2.98 CCNc1ccccc1c2ccccc2 34a_100000210918_100000210202 [0,0,0,0,0,1|3,0,0]=4 1750 B16R2.98 CCNc1ccccc1c2ccccn2 271570a_100011264011_114873767003 [0,0,0,0,0,1|3,0,0]=4 1751 B16R2.98 CCNc1ccccc1c2cccnc2 271570a_100000757648_114873767003 [0,0,0,0,0,1|3,0,0]=4 1752 B16R2.98 CCNc1ccccc1c2ccncc2 271570a_100000752145_114873767003 [0,0,0,0,0,1|3,0,0]=4 1753 B16R2.98 CCNc1ccccc1c2ccncc2 27a_100015525214_100010154595 [0,0,0,0,0,1|3,0,0]=4 1754 B16R2.98 CCNc1ccccc1c2cnccn2 271570a_100011962566_114873767003 [0,0,0,0,0,1|3,0,0]=4 1755 B16R2.98 CCOc1ccccc1c2ccccc2 271570a_100011217569_100000210277 [0,0,0,0,0,1|3,0,0]=4 1756 B16R2.98 CCOc1ccccc1c2ccccc2 271570a_100011218836_100000230754 [0,0,0,0,0,1|3,0,0]=4 1757 B16R2.98 CCOc1ccccc1c2ccccc2 34a_100000210297_100000210202 [0,0,0,0,0,1|3,0,0]=4 1758 B16R2.98 CCOc1ccccc1c2ccccc2 7a_100000210297_100000210202 [0,0,0,0,0,1|3,0,0]=4 1759 B16R2.98 CCOc1ccccc1c2ccccn2 271570a_100011217569_100011216584 [0,0,0,0,0,1|3,0,0]=4 1760 B16R2.98 CCOc1ccccc1c2ccccn2 271570a_100011264011_100000230754 [0,0,0,0,0,1|3,0,0]=4 1761 B16R2.98 CCOc1ccccc1c2ccccn2 34a_100012186605_100000210202 [0,0,0,0,0,1|3,0,0]=4 1762 B16R2.98 CCOc1ccccc1c2ccccn2 7a_100012186605_100000210202 [0,0,0,0,0,1|3,0,0]=4 1763 B16R2.98 CCOc1ccccc1c2cccnc2 271570a_100000757648_100000230754 [0,0,0,0,0,1|3,0,0]=4 1764 B16R2.98 CCOc1ccccc1c2cccnc2 271570a_100011217569_100000752921 [0,0,0,0,0,1|3,0,0]=4 1765 B16R2.98 CCOc1ccccc1c2cccnn2 271570a_100011217569_100016991348 [0,0,0,0,0,1|3,0,0]=4 1766 B16R2.98 CCOc1ccccc1c2ccncc2 271570a_100000752145_100000230754 [0,0,0,0,0,1|3,0,0]=4 1767 B16R2.98 CCOc1ccccc1c2ccncc2 271570a_100011217569_100000035832 [0,0,0,0,0,1|3,0,0]=4 1768 B16R2.98 CCOc1ccccc1c2ccncn2 271570a_100011217569_100000703185 [0,0,0,0,0,1|3,0,0]=4 1769 B16R2.98 CCOc1ccccc1c2cnccn2 271570a_100011217569_100000758340 [0,0,0,0,0,1|3,0,0]=4 1770 B16R2.98 CCOc1ccccc1c2cnccn2 271570a_100011962566_100000230754 [0,0,0,0,0,1|3,0,0]=4 1771 B16R2.98 CCOc1ccccc1c2ncccn2 271570a_100011217569_100000211032 [0,0,0,0,0,1|3,0,0]=4 1772 B16R2.98 CCSc1ccccc1c2ccccc2 271570a_100011218836_100000230856 [0,0,0,0,0,1|3,0,0]=4 1773 B16R2.98 CCSc1ccccc1c2ccccc2 271570a_200000040582_100000210277 [0,0,0,0,0,1|3,0,0]=4 1774 B16R2.98 CCSc1ccccc1c2ccccc2 62a_100000033479_100000210202 [0,0,0,0,0,1|3,0,0]=4 1775 B16R2.98 CCSc1ccccc1c2ccccc2 62a_100000210202_100000033479 [0,0,0,0,0,1|3,0,0]=4 1776 B16R2.98 CCSc1ccccc1c2ccccn2 271570a_100011264011_100000230856 [0,0,0,0,0,1|3,0,0]=4 1777 B16R2.98 CCSc1ccccc1c2ccccn2 271570a_200000040582_100011216584 [0,0,0,0,0,1|3,0,0]=4 1778 B16R2.98 CCSc1ccccc1c2ccccn2 62a_100000210202_100010202516 [0,0,0,0,0,1|3,0,0]=4 1779 B16R2.98 CCSc1ccccc1c2ccccn2 62a_100010202516_100000210202 [0,0,0,0,0,1|3,0,0]=4 1780 B16R2.98 CCSc1ccccc1c2cccnc2 271570a_100000757648_100000230856 [0,0,0,0,0,1|3,0,0]=4 1781 B16R2.98 CCSc1ccccc1c2cccnc2 271570a_200000040582_100000752921 [0,0,0,0,0,1|3,0,0]=4 1782 B16R2.98 CCSc1ccccc1c2cccnn2 271570a_200000040582_100016991348 [0,0,0,0,0,1|3,0,0]=4 1783 B16R2.98 CCSc1ccccc1c2ccncc2 271570a_100000752145_100000230856 [0,0,0,0,0,1|3,0,0]=4 1784 B16R2.98 CCSc1ccccc1c2ccncc2 271570a_200000040582_100000035832 [0,0,0,0,0,1|3,0,0]=4 1785 B16R2.98 CCSc1ccccc1c2ccncc2 62a_100000210202_100010154595 [0,0,0,0,0,1|3,0,0]=4 1786 B16R2.98 CCSc1ccccc1c2ccncc2 62a_100010154595_100000210202 [0,0,0,0,0,1|3,0,0]=4 1787 B16R2.98 CCSc1ccccc1c2ccncn2 271570a_200000040582_100000703185 [0,0,0,0,0,1|3,0,0]=4 1788 B16R2.98 CCSc1ccccc1c2cnccn2 271570a_100011962566_100000230856 [0,0,0,0,0,1|3,0,0]=4 1789 B16R2.98 CCSc1ccccc1c2cnccn2 271570a_200000040582_100000758340 [0,0,0,0,0,1|3,0,0]=4 1790 B16R2.98 CCSc1ccccc1c2ncccn2 271570a_200000040582_100000211032 [0,0,0,0,0,1|3,0,0]=4 1791 B16R2.98 CNCc1ccccc1C2=CCCCC2 271570a_100000062251_100000184654 [0,0,0,0,0,1|1,0,2]=4 1792 B16R2.98 CNCc1ccccc1C2=CCCCO2 271570a_100010177797_100000184654 [0,0,0,0,0,1|0,1,2]=4 1793 B16R2.98 CNCc1ccccc1C2=CCNCC2 271570a_100000731432_100000184654 [0,0,0,0,0,1|1,0,2]=4 1794 B16R2.98 CNCc1ccccc1C2=CCOCC2 271570a_100000070234_100000184654 [0,0,0,0,0,1|1,0,2]=4 1795 B16R2.98 CNCc1ccccc1C2=CCSCC2 271570a_100010232141_100000184654 [0,0,0,0,0,1|1,0,2]=4 1796 B16R2.98 CNCc1ccccc1C2=COCCC2 271570a_100010175576_100000184654 [0,0,0,0,0,1|1,0,2]=4 1797 B16R2.98 CNCc1ccccc1c2ccccc2 207a_100102657272_100011219292 [0,0,0,0,0,1|1,0,0]=2 1798 B16R2.98 CNCc1ccccc1c2ccccc2 2230a_106832991635_100009813379 [0,0,0,0,0,1|1,0,0]=2 1799 B16R2.98 CNCc1ccccc1c2ccccc2 270004a_106832991635_100011219292 [0,0,0,0,0,1|1,0,0]=2 1800 B16R2.98 CNCc1ccccc1c2ccccc2 271570a_100011218836_100000184654 [0,0,0,0,0,1|1,0,0]=2 1801 B16R2.98 CNCc1ccccc1c2ccccc2 34a_100000071662_200000210301 [0,0,0,0,0,1|1,0,0]=2 1802 B16R2.98 CNCc1ccccc1c2ccccc2 34a_100102657272_100009813379 [0,0,0,0,0,1|1,0,0]=2 1803 B16R2.98 CNCc1ccccc1c2ccccc2 7a_106832991635_100009813379 [0,0,0,0,0,1|1,0,0]=2 1804 B16R2.98 CNCc1ccccc1c2ccccn2 271570a_100011264011_100000184654 [0,0,0,0,0,1|1,0,0]=2 1805 B16R2.98 CNCc1ccccc1c2cccnc2 207a_100102657272_100011219294 [0,0,0,0,0,1|1,0,0]=2 1806 B16R2.98 CNCc1ccccc1c2cccnc2 270004a_106832991635_100011219294 [0,0,0,0,0,1|1,0,0]=2 1807 B16R2.98 CNCc1ccccc1c2cccnc2 271570a_100000757648_100000184654 [0,0,0,0,0,1|1,0,0]=2 1808 B16R2.98 CNCc1ccccc1c2ccncc2 207a_100102657272_100011219295 [0,0,0,0,0,1|1,0,0]=2 1809 B16R2.98 CNCc1ccccc1c2ccncc2 270004a_106832991635_100011219295 [0,0,0,0,0,1|1,0,0]=2 1810 B16R2.98 CNCc1ccccc1c2ccncc2 271570a_100000752145_100000184654 [0,0,0,0,0,1|1,0,0]=2 1811 B16R2.98 CNCc1ccccc1c2cnccn2 271570a_100011962566_100000184654 [0,0,0,0,0,1|1,0,0]=2 1812 B16R2.98 CNCc1ccccc1c2cncnc2 270004a_106832991635_100011219293 [0,0,0,0,0,1|2,0,0]=3 1813 B16R2.98 CNCc1ccccc1c2cncnc2 271570a_100000707473_100000184654 [0,0,0,0,0,1|2,0,0]=3 1814 B16R2.98 CNCc1cccnc1c2ccccc2 271570a_100011218836_103496529121 [0,0,0,0,0,1|2,0,0]=3 1815 B16R2.98 CNCc1cccnc1c2ccccn2 271570a_100011264011_103496529121 [0,0,0,0,0,1|2,0,0]=3 1816 B16R2.98 CNCc1cccnc1c2cccnc2 271570a_100000757648_103496529121 [0,0,0,0,0,1|2,0,0]=3 1817 B16R2.98 CNCc1cccnc1c2ccncc2 271570a_100000752145_103496529121 [0,0,0,0,0,1|2,0,0]=3 1818 B16R2.98 CNCc1cccnc1c2cnccn2 271570a_100011962566_103496529121 [0,0,0,0,0,1|2,0,0]=3 1819 B16R2.98 CNCc1cccnc1c2cncnc2 271570a_100000707473_103496529121 [0,0,0,0,0,1|3,0,0]=4 1820 B16R2.98 COCc1ccccc1c2ccccc2 271570a_100011216666_100000210277 [0,0,0,0,0,1|2,0,0]=3 1821 B16R2.98 COCc1ccccc1c2ccccc2 271570a_100011218836_100011493684 [0,0,0,0,0,1|2,0,0]=3 1822 B16R2.98 COCc1ccccc1c2ccccc2 34a_100000032370_200000210301 [0,0,0,0,0,1|2,0,0]=3 1823 B16R2.98 COCc1ccccc1c2ccccc2 34a_100138415774_100009813379 [0,0,0,0,0,1|2,0,0]=3 1824 B16R2.98 COCc1ccccc1c2ccccc2 7a_100000032370_200000210301 [0,0,0,0,0,1|2,0,0]=3 1825 B16R2.98 COCc1ccccc1c2ccccn2 271570a_100011216666_100011216584 [0,0,0,0,0,1|2,0,0]=3 1826 B16R2.98 COCc1ccccc1c2ccccn2 271570a_100011264011_100011493684 [0,0,0,0,0,1|2,0,0]=3 1827 B16R2.98 COCc1ccccc1c2cccnc2 271570a_100000757648_100011493684 [0,0,0,0,0,1|2,0,0]=3 1828 B16R2.98 COCc1ccccc1c2cccnc2 271570a_100011216666_100000752921 [0,0,0,0,0,1|2,0,0]=3 1829 B16R2.98 COCc1ccccc1c2cccnn2 271570a_100011216666_100016991348 [0,0,0,0,0,1|2,0,0]=3 1830 B16R2.98 COCc1ccccc1c2ccncc2 271570a_100000752145_100011493684 [0,0,0,0,0,1|2,0,0]=3 1831 B16R2.98 COCc1ccccc1c2ccncc2 271570a_100011216666_100000035832 [0,0,0,0,0,1|2,0,0]=3 1832 B16R2.98 COCc1ccccc1c2ccncn2 271570a_100011216666_100000703185 [0,0,0,0,0,1|2,0,0]=3 1833 B16R2.98 COCc1ccccc1c2ccnnc2 271570a_100011216666_100000732662 [0,0,0,0,0,1|3,0,0]=4 1834 B16R2.98 COCc1ccccc1c2cnccn2 271570a_100011216666_100000758340 [0,0,0,0,0,1|2,0,0]=3 1835 B16R2.98 COCc1ccccc1c2cnccn2 271570a_100011962566_100011493684 [0,0,0,0,0,1|2,0,0]=3 1836 B16R2.98 COCc1ccccc1c2cncnc2 271570a_100000707473_100011493684 [0,0,0,0,0,1|3,0,0]=4 1837 B16R2.98 COCc1ccccc1c2cncnc2 271570a_100011216666_100011206942 [0,0,0,0,0,1|3,0,0]=4 1838 B16R2.98 COCc1ccccc1c2ncccn2 271570a_100011216666_100000211032 [0,0,0,0,0,1|2,0,0]=3 1839 B16R2.98 CSCc1ccccc1c2ccccc2 271570a_100011218836_100000148299 [0,0,0,0,0,1|2,0,0]=3 1840 B16R2.98 CSCc1ccccc1c2ccccc2 62a_100009813379_200000210301 [0,0,0,0,0,1|2,0,0]=3 1841 B16R2.98 CSCc1ccccc1c2ccccc2 62a_200000210301_100009813379 [0,0,0,0,0,1|2,0,0]=3 1842 B16R2.98 CSCc1ccccc1c2ccccn2 271570a_100011264011_100000148299 [0,0,0,0,0,1|2,0,0]=3 1843 B16R2.98 CSCc1ccccc1c2cccnc2 271570a_100000757648_100000148299 [0,0,0,0,0,1|2,0,0]=3 1844 B16R2.98 CSCc1ccccc1c2ccncc2 271570a_100000752145_100000148299 [0,0,0,0,0,1|2,0,0]=3 1845 B16R2.98 CSCc1ccccc1c2cnccn2 271570a_100011962566_100000148299 [0,0,0,0,0,1|2,0,0]=3 1846 B16R2.98 CSCc1ccccc1c2cncnc2 271570a_100000707473_100000148299 [0,0,0,0,0,1|3,0,0]=4 1847 B16R2.98 N#CCc1ccccc1c2ccccc2 271570a_100000066961_100000210277 [0,0,0,0,0,1|3,0,0]=4 1848 B16R2.98 N#CCc1ccccc1c2ccccc2 271570a_100011218836_100000033512 [0,0,0,0,0,1|3,0,0]=4 1849 B16R2.98 N#CCc1ccccc1c2ccccn2 271570a_100000066961_100011216584 [0,0,0,0,0,1|3,0,0]=4 1850 B16R2.98 N#CCc1ccccc1c2ccccn2 271570a_100011264011_100000033512 [0,0,0,0,0,1|3,0,0]=4 1851 B16R2.98 N#CCc1ccccc1c2cccnc2 271570a_100000066961_100000752921 [0,0,0,0,0,1|3,0,0]=4 1852 B16R2.98 N#CCc1ccccc1c2cccnc2 271570a_100000757648_100000033512 [0,0,0,0,0,1|3,0,0]=4 1853 B16R2.98 N#CCc1ccccc1c2cccnn2 271570a_100000066961_100016991348 [0,0,0,0,0,1|3,0,0]=4 1854 B16R2.98 N#CCc1ccccc1c2ccncc2 271570a_100000066961_100000035832 [0,0,0,0,0,1|3,0,0]=4 1855 B16R2.98 N#CCc1ccccc1c2ccncc2 271570a_100000752145_100000033512 [0,0,0,0,0,1|3,0,0]=4 1856 B16R2.98 N#CCc1ccccc1c2ccncn2 271570a_100000066961_100000703185 [0,0,0,0,0,1|3,0,0]=4 1857 B16R2.98 N#CCc1ccccc1c2cnccn2 271570a_100000066961_100000758340 [0,0,0,0,0,1|3,0,0]=4 1858 B16R2.98 N#CCc1ccccc1c2cnccn2 271570a_100011962566_100000033512 [0,0,0,0,0,1|3,0,0]=4 1859 B16R2.98 N#CCc1ccccc1c2ncccn2 271570a_100000066961_100000211032 [0,0,0,0,0,1|3,0,0]=4 1860 B16R2.98 NCCc1ccccc1c2ccccc2 271570a_100011218836_100000747383 [0,0,0,0,0,1|3,0,0]=4 1861 B16R2.98 NCCc1ccccc1c2ccccn2 271570a_100011264011_100000747383 [0,0,0,0,0,1|3,0,0]=4 1862 B16R2.98 NCCc1ccccc1c2cccnc2 271570a_100000757648_100000747383 [0,0,0,0,0,1|3,0,0]=4 1863 B16R2.98 NCCc1ccccc1c2ccncc2 271570a_100000752145_100000747383 [0,0,0,0,0,1|3,0,0]=4 1864 B16R2.98 NCCc1ccccc1c2cnccn2 271570a_100011962566_100000747383 [0,0,0,0,0,1|3,0,0]=4 1865 B16R2.98 NNCc1ccccc1c2ccccc2 271570a_100011218836_200016993956 [0,0,0,0,0,1|2,0,0]=3 1866 B16R2.98 NNCc1ccccc1c2ccccn2 271570a_100011264011_200016993956 [0,0,0,0,0,1|2,0,0]=3 1867 B16R2.98 NNCc1ccccc1c2cccnc2 271570a_100000757648_200016993956 [0,0,0,0,0,1|2,0,0]=3 1868 B16R2.98 NNCc1ccccc1c2ccncc2 271570a_100000752145_200016993956 [0,0,0,0,0,1|2,0,0]=3 1869 B16R2.98 NNCc1ccccc1c2cnccn2 271570a_100011962566_200016993956 [0,0,0,0,0,1|2,0,0]=3 1870 B16R2.98 NNCc1ccccc1c2cncnc2 271570a_100000707473_200016993956 [0,0,0,0,0,1|3,0,0]=4 1871 B16R2.98 OCCc1ccccc1c2ccccc2 271570a_100011218836_100000731337 [0,0,0,0,0,1|3,0,0]=4 1872 B16R2.98 OCCc1ccccc1c2ccccn2 271570a_100011264011_100000731337 [0,0,0,0,0,1|3,0,0]=4 1873 B16R2.98 OCCc1ccccc1c2cccnc2 271570a_100000757648_100000731337 [0,0,0,0,0,1|3,0,0]=4 1874 B16R2.98 OCCc1ccccc1c2ccncc2 271570a_100000752145_100000731337 [0,0,0,0,0,1|3,0,0]=4 1875 B16R2.98 OCCc1ccccc1c2cnccn2 271570a_100011962566_100000731337 [0,0,0,0,0,1|3,0,0]=4 1876 B16R2.98 [13CH3]NCc1ccccc1c2ccccc2 34a_100000071662_200025704644 [0,0,0,0,0,1|1,0,0]=2 1877 B16R2.98 [13CH3]OCc1ccccc1c2ccccc2 34a_100000032370_200025704644 [0,0,0,0,0,1|2,0,0]=3 1878 B16R2.98 [13CH3]OCc1ccccc1c2ccccc2 7a_100000032370_200025704644 [0,0,0,0,0,1|2,0,0]=3 1879 B16R2.98 [13CH3]SCc1ccccc1c2ccccc2 62a_100009813379_200025704644 [0,0,0,0,0,1|2,0,0]=3 1880 B16R2.98 [13CH3]SCc1ccccc1c2ccccc2 62a_200025704644_100009813379 [0,0,0,0,0,1|2,0,0]=3 1881 B16R2.2304 C=CCc1ccccc1Sc2ccco2 62a_100009814098_100009828059 [0,0,0,0,0,1|1,1,1]=4 1882 B16R2.2304 C=CCc1ccccc1Sc2ccco2 62a_100009828059_100009814098 [0,0,0,0,0,1|1,1,1]=4 1883 B16R2.2304 C=CCc1ccccc1Sc2cccs2 62a_100009828059_100011215356 [0,0,0,0,0,1|1,0,1]=3 1884 B16R2.2304 C=CCc1ccccc1Sc2cccs2 62a_100011215356_100009828059 [0,0,0,0,0,1|1,0,1]=3 1885 B16R2.2304 C=CCc1ccccc1Sc2cncs2 62a_100009828059_100011934649 [0,0,0,0,0,1|2,0,1]=4 1886 B16R2.2304 C=CCc1ccccc1Sc2cncs2 62a_100011934649_100009828059 [0,0,0,0,0,1|2,0,1]=4 1887 B16R2.2304 C=CCc1ccccc1Sc2nccs2 62a_100000211983_100009828059 [0,0,0,0,0,1|2,0,1]=4 1888 B16R2.2304 C=CCc1ccccc1Sc2nccs2 62a_100009828059_100000211983 [0,0,0,0,0,1|2,0,1]=4 1889 B16R2.2304 CCCc1ccccc1Nc2ncns2 27a_100000737634_100000693119 [0,0,0,0,0,1|3,0,0]=4 1890 B16R2.2304 CCCc1ccccc1Nc2nncs2 27a_100000737634_100000739804 [0,0,0,0,0,1|3,0,0]=4 1891 B16R2.2304 CCCc1ncncc1Sc2cccs2 62a_100009816987_100011215356 [0,0,0,0,0,1|3,0,0]=4 1892 B16R2.2304 CCCc1ncncc1Sc2cccs2 62a_100011215356_100009816987 [0,0,0,0,0,1|3,0,0]=4 1893 B16R2.2304 CCNc1ccccc1Sc2ccco2 62a_100009814098_114873767003 [0,0,0,0,0,1|2,1,0]=4 1894 B16R2.2304 CCNc1ccccc1Sc2ccco2 62a_114873767003_100009814098 [0,0,0,0,0,1|2,1,0]=4 1895 B16R2.2304 CCNc1ccccc1Sc2cccs2 62a_100011215356_114873767003 [0,0,0,0,0,1|2,0,0]=3 1896 B16R2.2304 CCNc1ccccc1Sc2cccs2 62a_114873767003_100011215356 [0,0,0,0,0,1|2,0,0]=3 1897 B16R2.2304 CCNc1ccccc1Sc2cncs2 62a_100011934649_114873767003 [0,0,0,0,0,1|3,0,0]=4 1898 B16R2.2304 CCNc1ccccc1Sc2cncs2 62a_114873767003_100011934649 [0,0,0,0,0,1|3,0,0]=4 1899 B16R2.2304 CCNc1ccccc1Sc2nccs2 62a_100000211983_114873767003 [0,0,0,0,0,1|3,0,0]=4 1900 B16R2.2304 CCNc1ccccc1Sc2nccs2 62a_114873767003_100000211983 [0,0,0,0,0,1|3,0,0]=4 1901 B16R2.2304 CCOc1ccccc1Sc2ccco2 62a_100000230754_100009814098 [0,0,0,0,0,1|2,1,0]=4 1902 B16R2.2304 CCOc1ccccc1Sc2ccco2 62a_100009814098_100000230754 [0,0,0,0,0,1|2,1,0]=4 1903 B16R2.2304 CCOc1ccccc1Sc2cccs2 62a_100000230754_100011215356 [0,0,0,0,0,1|2,0,0]=3 1904 B16R2.2304 CCOc1ccccc1Sc2cccs2 62a_100011215356_100000230754 [0,0,0,0,0,1|2,0,0]=3 1905 B16R2.2304 CCOc1ccccc1Sc2cncs2 62a_100000230754_100011934649 [0,0,0,0,0,1|3,0,0]=4 1906 B16R2.2304 CCOc1ccccc1Sc2cncs2 62a_100011934649_100000230754 [0,0,0,0,0,1|3,0,0]=4 1907 B16R2.2304 CCOc1ccccc1Sc2nccs2 62a_100000211983_100000230754 [0,0,0,0,0,1|3,0,0]=4 1908 B16R2.2304 CCOc1ccccc1Sc2nccs2 62a_100000230754_100000211983 [0,0,0,0,0,1|3,0,0]=4 1909 B16R2.2304 CCOc1cccnc1Sc2cccs2 62a_100011215356_100011597540 [0,0,0,0,0,1|3,0,0]=4 1910 B16R2.2304 CCOc1cccnc1Sc2cccs2 62a_100011597540_100011215356 [0,0,0,0,0,1|3,0,0]=4 1911 B16R2.2304 CCOc1ncccc1Sc2cccs2 62a_100011215356_100011465154 [0,0,0,0,0,1|3,0,0]=4 1912 B16R2.2304 CCOc1ncccc1Sc2cccs2 62a_100011465154_100011215356 [0,0,0,0,0,1|3,0,0]=4 1913 B16R2.2304 CCSc1ccccc1Sc2ccco2 62a_100000230856_100009814098 [0,0,0,0,0,1|2,1,0]=4 1914 B16R2.2304 CCSc1ccccc1Sc2ccco2 62a_100009814098_100000230856 [0,0,0,0,0,1|2,1,0]=4 1915 B16R2.2304 CCSc1ccccc1Sc2cncs2 62a_100000230856_100011934649 [0,0,0,0,0,1|3,0,0]=4 1916 B16R2.2304 CCSc1ccccc1Sc2cncs2 62a_100011934649_100000230856 [0,0,0,0,0,1|3,0,0]=4 1917 B16R2.2304 CCSc1ccccc1Sc2nccs2 62a_100000211983_100000230856 [0,0,0,0,0,1|3,0,0]=4 1918 B16R2.2304 CCSc1ccccc1Sc2nccs2 62a_100000230856_100000211983 [0,0,0,0,0,1|3,0,0]=4 1919 B16R2.2304 CNCc1ccccc1Cn2cccn2 207a_100102657272_200000059821 [0,0,0,0,0,1|2,0,0]=3 1920 B16R2.2304 CNCc1ccccc1Cn2cccn2 270004a_106832991635_200000059821 [0,0,0,0,0,1|2,0,0]=3 1921 B16R2.2304 CNCc1ccccc1Cn2cccn2 34a_100000234957_200000210301 [0,0,0,0,0,1|2,0,0]=3 1922 B16R2.2304 CNCc1ccccc1Sc2c[nH]cn2 62a_100000184654_100000756875 [0,0,0,0,0,1|2,0,0]=3 1923 B16R2.2304 CNCc1ccccc1Sc2c[nH]cn2 62a_100000756875_100000184654 [0,0,0,0,0,1|2,0,0]=3 1924 B16R2.2304 CNCc1ccccc1Sc2c[nH]nn2 62a_100000184654_100009819707 [0,0,0,0,0,1|3,0,0]=4 1925 B16R2.2304 CNCc1ccccc1Sc2c[nH]nn2 62a_100009819707_100000184654 [0,0,0,0,0,1|3,0,0]=4 1926 B16R2.2304 CNCc1ccccc1Sc2cc[nH]n2 62a_100000062575_100000184654 [0,0,0,0,0,1|2,0,0]=3 1927 B16R2.2304 CNCc1ccccc1Sc2cc[nH]n2 62a_100000184654_100000062575 [0,0,0,0,0,1|2,0,0]=3 1928 B16R2.2304 CNCc1ccccc1Sc2ccco2 62a_100000184654_100009814098 [0,0,0,0,0,1|0,1,0]=2 1929 B16R2.2304 CNCc1ccccc1Sc2ccco2 62a_100009814098_100000184654 [0,0,0,0,0,1|0,1,0]=2 1930 B16R2.2304 CNCc1ccccc1Sc2cccs2 62a_100000184654_100011215356 [0,0,0,0,0,1|0,0,0]=1 1931 B16R2.2304 CNCc1ccccc1Sc2cccs2 62a_100011215356_100000184654 [0,0,0,0,0,1|0,0,0]=1 1932 B16R2.2304 CNCc1ccccc1Sc2ccoc2 62a_100000184654_100011215275 [0,0,0,0,0,1|2,0,0]=3 1933 B16R2.2304 CNCc1ccccc1Sc2ccoc2 62a_100011215275_100000184654 [0,0,0,0,0,1|2,0,0]=3 1934 B16R2.2304 CNCc1ccccc1Sc2ccon2 62a_100000184654_100009818083 [0,0,0,0,0,1|2,0,0]=3 1935 B16R2.2304 CNCc1ccccc1Sc2ccon2 62a_100009818083_100000184654 [0,0,0,0,0,1|2,0,0]=3 1936 B16R2.2304 CNCc1ccccc1Sc2ccsc2 62a_100000184654_100000738268 [0,0,0,0,0,1|2,0,0]=3 1937 B16R2.2304 CNCc1ccccc1Sc2ccsc2 62a_100000738268_100000184654 [0,0,0,0,0,1|2,0,0]=3 1938 B16R2.2304 CNCc1ccccc1Sc2ccsn2 62a_100000184654_100009818082 [0,0,0,0,0,1|2,0,0]=3 1939 B16R2.2304 CNCc1ccccc1Sc2ccsn2 62a_100009818082_100000184654 [0,0,0,0,0,1|2,0,0]=3 1940 B16R2.2304 CNCc1ccccc1Sc2cn[nH]c2 62a_100000184654_100000238712 [0,0,0,0,0,1|3,0,0]=4 1941 B16R2.2304 CNCc1ccccc1Sc2cn[nH]c2 62a_100000238712_100000184654 [0,0,0,0,0,1|3,0,0]=4 1942 B16R2.2304 CNCc1ccccc1Sc2cnco2 62a_100000184654_100020591547 [0,0,0,0,0,1|1,1,0]=3 1943 B16R2.2304 CNCc1ccccc1Sc2cnco2 62a_100020591547_100000184654 [0,0,0,0,0,1|1,1,0]=3 1944 B16R2.2304 CNCc1ccccc1Sc2cncs2 62a_100000184654_100011934649 [0,0,0,0,0,1|1,0,0]=2 1945 B16R2.2304 CNCc1ccccc1Sc2cncs2 62a_100011934649_100000184654 [0,0,0,0,0,1|1,0,0]=2 1946 B16R2.2304 CNCc1ccccc1Sc2cnoc2 62a_100000184654_100009815712 [0,0,0,0,0,1|3,0,0]=4 1947 B16R2.2304 CNCc1ccccc1Sc2cnoc2 62a_100009815712_100000184654 [0,0,0,0,0,1|3,0,0]=4 1948 B16R2.2304 CNCc1ccccc1Sc2cnsc2 62a_100000184654_100009815736 [0,0,0,0,0,1|3,0,0]=4 1949 B16R2.2304 CNCc1ccccc1Sc2cnsc2 62a_100009815736_100000184654 [0,0,0,0,0,1|3,0,0]=4 1950 B16R2.2304 CNCc1ccccc1Sc2cscn2 62a_100000184654_100000751502 [0,0,0,0,0,1|2,0,0]=3 1951 B16R2.2304 CNCc1ccccc1Sc2cscn2 62a_100000751502_100000184654 [0,0,0,0,0,1|2,0,0]=3 1952 B16R2.2304 CNCc1ccccc1Sc2nc[nH]n2 62a_100000184654_100000761765 [0,0,0,0,0,1|3,0,0]=4 1953 B16R2.2304 CNCc1ccccc1Sc2nc[nH]n2 62a_100000761765_100000184654 [0,0,0,0,0,1|3,0,0]=4 1954 B16R2.2304 CNCc1ccccc1Sc2ncc[nH]2 62a_100000184654_100025796157 [0,0,0,0,0,1|2,0,0]=3 1955 B16R2.2304 CNCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000184654 [0,0,0,0,0,1|2,0,0]=3 1956 B16R2.2304 CNCc1ccccc1Sc2ncco2 62a_100000184654_100011787736 [0,0,0,0,0,1|1,1,0]=3 1957 B16R2.2304 CNCc1ccccc1Sc2ncco2 62a_100011787736_100000184654 [0,0,0,0,0,1|1,1,0]=3 1958 B16R2.2304 CNCc1ccccc1Sc2nccs2 62a_100000184654_100000211983 [0,0,0,0,0,1|1,0,0]=2 1959 B16R2.2304 CNCc1ccccc1Sc2nccs2 62a_100000211983_100000184654 [0,0,0,0,0,1|1,0,0]=2 1960 B16R2.2304 CNCc1ccccc1Sc2ncns2 62a_100000184654_100000693119 [0,0,0,0,0,1|2,0,0]=3 1961 B16R2.2304 CNCc1ccccc1Sc2ncns2 62a_100000693119_100000184654 [0,0,0,0,0,1|2,0,0]=3 1962 B16R2.2304 CNCc1ccccc1Sc2nncs2 62a_100000184654_100000739804 [0,0,0,0,0,1|2,0,0]=3 1963 B16R2.2304 CNCc1ccccc1Sc2nncs2 62a_100000739804_100000184654 [0,0,0,0,0,1|2,0,0]=3 1964 B16R2.2304 CNCc1cccnc1Sc2c[nH]cn2 62a_100000756875_103496529121 [0,0,0,0,0,1|3,0,0]=4 1965 B16R2.2304 CNCc1cccnc1Sc2c[nH]cn2 62a_103496529121_100000756875 [0,0,0,0,0,1|3,0,0]=4 1966 B16R2.2304 CNCc1cccnc1Sc2cc[nH]n2 62a_100000062575_103496529121 [0,0,0,0,0,1|3,0,0]=4 1967 B16R2.2304 CNCc1cccnc1Sc2cc[nH]n2 62a_103496529121_100000062575 [0,0,0,0,0,1|3,0,0]=4 1968 B16R2.2304 CNCc1cccnc1Sc2ccco2 62a_100009814098_103496529121 [0,0,0,0,0,1|1,1,0]=3 1969 B16R2.2304 CNCc1cccnc1Sc2ccco2 62a_103496529121_100009814098 [0,0,0,0,0,1|1,1,0]=3 1970 B16R2.2304 CNCc1cccnc1Sc2cccs2 62a_100011215356_103496529121 [0,0,0,0,0,1|1,0,0]=2 1971 B16R2.2304 CNCc1cccnc1Sc2cccs2 62a_103496529121_100011215356 [0,0,0,0,0,1|1,0,0]=2 1972 B16R2.2304 CNCc1cccnc1Sc2ccoc2 62a_100011215275_103496529121 [0,0,0,0,0,1|3,0,0]=4 1973 B16R2.2304 CNCc1cccnc1Sc2ccoc2 62a_103496529121_100011215275 [0,0,0,0,0,1|3,0,0]=4 1974 B16R2.2304 CNCc1cccnc1Sc2ccon2 62a_100009818083_103496529121 [0,0,0,0,0,1|3,0,0]=4 1975 B16R2.2304 CNCc1cccnc1Sc2ccon2 62a_103496529121_100009818083 [0,0,0,0,0,1|3,0,0]=4 1976 B16R2.2304 CNCc1cccnc1Sc2ccsc2 62a_100000738268_103496529121 [0,0,0,0,0,1|3,0,0]=4 1977 B16R2.2304 CNCc1cccnc1Sc2ccsc2 62a_103496529121_100000738268 [0,0,0,0,0,1|3,0,0]=4 1978 B16R2.2304 CNCc1cccnc1Sc2ccsn2 62a_100009818082_103496529121 [0,0,0,0,0,1|3,0,0]=4 1979 B16R2.2304 CNCc1cccnc1Sc2ccsn2 62a_103496529121_100009818082 [0,0,0,0,0,1|3,0,0]=4 1980 B16R2.2304 CNCc1cccnc1Sc2cnco2 62a_100020591547_103496529121 [0,0,0,0,0,1|2,1,0]=4 1981 B16R2.2304 CNCc1cccnc1Sc2cnco2 62a_103496529121_100020591547 [0,0,0,0,0,1|2,1,0]=4 1982 B16R2.2304 CNCc1cccnc1Sc2cncs2 62a_100011934649_103496529121 [0,0,0,0,0,1|2,0,0]=3 1983 B16R2.2304 CNCc1cccnc1Sc2cncs2 62a_103496529121_100011934649 [0,0,0,0,0,1|2,0,0]=3 1984 B16R2.2304 CNCc1cccnc1Sc2cscn2 62a_100000751502_103496529121 [0,0,0,0,0,1|3,0,0]=4 1985 B16R2.2304 CNCc1cccnc1Sc2cscn2 62a_103496529121_100000751502 [0,0,0,0,0,1|3,0,0]=4 1986 B16R2.2304 CNCc1cccnc1Sc2ncc[nH]2 62a_100025796157_103496529121 [0,0,0,0,0,1|3,0,0]=4 1987 B16R2.2304 CNCc1cccnc1Sc2ncc[nH]2 62a_103496529121_100025796157 [0,0,0,0,0,1|3,0,0]=4 1988 B16R2.2304 CNCc1cccnc1Sc2ncco2 62a_100011787736_103496529121 [0,0,0,0,0,1|2,1,0]=4 1989 B16R2.2304 CNCc1cccnc1Sc2ncco2 62a_103496529121_100011787736 [0,0,0,0,0,1|2,1,0]=4 1990 B16R2.2304 CNCc1cccnc1Sc2nccs2 62a_100000211983_103496529121 [0,0,0,0,0,1|2,0,0]=3 1991 B16R2.2304 CNCc1cccnc1Sc2nccs2 62a_103496529121_100000211983 [0,0,0,0,0,1|2,0,0]=3 1992 B16R2.2304 CNCc1cccnc1Sc2ncns2 62a_100000693119_103496529121 [0,0,0,0,0,1|3,0,0]=4 1993 B16R2.2304 CNCc1cccnc1Sc2ncns2 62a_103496529121_100000693119 [0,0,0,0,0,1|3,0,0]=4 1994 B16R2.2304 CNCc1cccnc1Sc2nncs2 62a_100000739804_103496529121 [0,0,0,0,0,1|3,0,0]=4 1995 B16R2.2304 CNCc1cccnc1Sc2nncs2 62a_103496529121_100000739804 [0,0,0,0,0,1|3,0,0]=4 1996 B16R2.2304 COCc1ccccc1Sc2c[nH]cn2 62a_100000756875_100011493684 [0,0,0,0,0,1|3,0,0]=4 1997 B16R2.2304 COCc1ccccc1Sc2c[nH]cn2 62a_100011493684_100000756875 [0,0,0,0,0,1|3,0,0]=4 1998 B16R2.2304 COCc1ccccc1Sc2cc[nH]n2 62a_100000062575_100011493684 [0,0,0,0,0,1|3,0,0]=4 1999 B16R2.2304 COCc1ccccc1Sc2cc[nH]n2 62a_100011493684_100000062575 [0,0,0,0,0,1|3,0,0]=4 2000 B16R2.2304 COCc1ccccc1Sc2ccco2 62a_100009814098_100011493684 [0,0,0,0,0,1|1,1,0]=3 2001 B16R2.2304 COCc1ccccc1Sc2ccco2 62a_100011493684_100009814098 [0,0,0,0,0,1|1,1,0]=3 2002 B16R2.2304 COCc1ccccc1Sc2cccs2 62a_100011215356_100011493684 [0,0,0,0,0,1|1,0,0]=2 2003 B16R2.2304 COCc1ccccc1Sc2cccs2 62a_100011493684_100011215356 [0,0,0,0,0,1|1,0,0]=2 2004 B16R2.2304 COCc1ccccc1Sc2ccoc2 62a_100011215275_100011493684 [0,0,0,0,0,1|3,0,0]=4 2005 B16R2.2304 COCc1ccccc1Sc2ccoc2 62a_100011493684_100011215275 [0,0,0,0,0,1|3,0,0]=4 2006 B16R2.2304 COCc1ccccc1Sc2ccon2 62a_100009818083_100011493684 [0,0,0,0,0,1|3,0,0]=4 2007 B16R2.2304 COCc1ccccc1Sc2ccon2 62a_100011493684_100009818083 [0,0,0,0,0,1|3,0,0]=4 2008 B16R2.2304 COCc1ccccc1Sc2ccsc2 62a_100000738268_100011493684 [0,0,0,0,0,1|3,0,0]=4 2009 B16R2.2304 COCc1ccccc1Sc2ccsc2 62a_100011493684_100000738268 [0,0,0,0,0,1|3,0,0]=4 2010 B16R2.2304 COCc1ccccc1Sc2ccsn2 62a_100009818082_100011493684 [0,0,0,0,0,1|3,0,0]=4 2011 B16R2.2304 COCc1ccccc1Sc2ccsn2 62a_100011493684_100009818082 [0,0,0,0,0,1|3,0,0]=4 2012 B16R2.2304 COCc1ccccc1Sc2cnco2 62a_100011493684_100020591547 [0,0,0,0,0,1|2,1,0]=4 2013 B16R2.2304 COCc1ccccc1Sc2cnco2 62a_100020591547_100011493684 [0,0,0,0,0,1|2,1,0]=4 2014 B16R2.2304 COCc1ccccc1Sc2cncs2 62a_100011493684_100011934649 [0,0,0,0,0,1|2,0,0]=3 2015 B16R2.2304 COCc1ccccc1Sc2cncs2 62a_100011934649_100011493684 [0,0,0,0,0,1|2,0,0]=3 2016 B16R2.2304 COCc1ccccc1Sc2cscn2 62a_100000751502_100011493684 [0,0,0,0,0,1|3,0,0]=4 2017 B16R2.2304 COCc1ccccc1Sc2cscn2 62a_100011493684_100000751502 [0,0,0,0,0,1|3,0,0]=4 2018 B16R2.2304 COCc1ccccc1Sc2ncc[nH]2 62a_100011493684_100025796157 [0,0,0,0,0,1|3,0,0]=4 2019 B16R2.2304 COCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011493684 [0,0,0,0,0,1|3,0,0]=4 2020 B16R2.2304 COCc1ccccc1Sc2ncco2 62a_100011493684_100011787736 [0,0,0,0,0,1|2,1,0]=4 2021 B16R2.2304 COCc1ccccc1Sc2ncco2 62a_100011787736_100011493684 [0,0,0,0,0,1|2,1,0]=4 2022 B16R2.2304 COCc1ccccc1Sc2nccs2 62a_100000211983_100011493684 [0,0,0,0,0,1|2,0,0]=3 2023 B16R2.2304 COCc1ccccc1Sc2nccs2 62a_100011493684_100000211983 [0,0,0,0,0,1|2,0,0]=3 2024 B16R2.2304 COCc1ccccc1Sc2ncns2 62a_100000693119_100011493684 [0,0,0,0,0,1|3,0,0]=4 2025 B16R2.2304 COCc1ccccc1Sc2ncns2 62a_100011493684_100000693119 [0,0,0,0,0,1|3,0,0]=4 2026 B16R2.2304 COCc1ccccc1Sc2nncs2 62a_100000739804_100011493684 [0,0,0,0,0,1|3,0,0]=4 2027 B16R2.2304 COCc1ccccc1Sc2nncs2 62a_100011493684_100000739804 [0,0,0,0,0,1|3,0,0]=4 2028 B16R2.2304 CSCc1ccccc1Sc2c[nH]cn2 62a_100000148299_100000756875 [0,0,0,0,0,1|3,0,0]=4 2029 B16R2.2304 CSCc1ccccc1Sc2c[nH]cn2 62a_100000756875_100000148299 [0,0,0,0,0,1|3,0,0]=4 2030 B16R2.2304 CSCc1ccccc1Sc2cc[nH]n2 62a_100000062575_100000148299 [0,0,0,0,0,1|3,0,0]=4 2031 B16R2.2304 CSCc1ccccc1Sc2cc[nH]n2 62a_100000148299_100000062575 [0,0,0,0,0,1|3,0,0]=4 2032 B16R2.2304 CSCc1ccccc1Sc2ccco2 62a_100000148299_100009814098 [0,0,0,0,0,1|1,1,0]=3 2033 B16R2.2304 CSCc1ccccc1Sc2ccco2 62a_100009814098_100000148299 [0,0,0,0,0,1|1,1,0]=3 2034 B16R2.2304 CSCc1ccccc1Sc2cccs2 62a_100000148299_100011215356 [0,0,0,0,0,1|1,0,0]=2 2035 B16R2.2304 CSCc1ccccc1Sc2cccs2 62a_100011215356_100000148299 [0,0,0,0,0,1|1,0,0]=2 2036 B16R2.2304 CSCc1ccccc1Sc2ccoc2 62a_100000148299_100011215275 [0,0,0,0,0,1|3,0,0]=4 2037 B16R2.2304 CSCc1ccccc1Sc2ccoc2 62a_100011215275_100000148299 [0,0,0,0,0,1|3,0,0]=4 2038 B16R2.2304 CSCc1ccccc1Sc2ccon2 62a_100000148299_100009818083 [0,0,0,0,0,1|3,0,0]=4 2039 B16R2.2304 CSCc1ccccc1Sc2ccon2 62a_100009818083_100000148299 [0,0,0,0,0,1|3,0,0]=4 2040 B16R2.2304 CSCc1ccccc1Sc2ccsc2 62a_100000148299_100000738268 [0,0,0,0,0,1|3,0,0]=4 2041 B16R2.2304 CSCc1ccccc1Sc2ccsc2 62a_100000738268_100000148299 [0,0,0,0,0,1|3,0,0]=4 2042 B16R2.2304 CSCc1ccccc1Sc2ccsn2 62a_100000148299_100009818082 [0,0,0,0,0,1|3,0,0]=4 2043 B16R2.2304 CSCc1ccccc1Sc2ccsn2 62a_100009818082_100000148299 [0,0,0,0,0,1|3,0,0]=4 2044 B16R2.2304 CSCc1ccccc1Sc2cnco2 62a_100000148299_100020591547 [0,0,0,0,0,1|2,1,0]=4 2045 B16R2.2304 CSCc1ccccc1Sc2cnco2 62a_100020591547_100000148299 [0,0,0,0,0,1|2,1,0]=4 2046 B16R2.2304 CSCc1ccccc1Sc2cncs2 62a_100000148299_100011934649 [0,0,0,0,0,1|2,0,0]=3 2047 B16R2.2304 CSCc1ccccc1Sc2cncs2 62a_100011934649_100000148299 [0,0,0,0,0,1|2,0,0]=3 2048 B16R2.2304 CSCc1ccccc1Sc2cscn2 62a_100000148299_100000751502 [0,0,0,0,0,1|3,0,0]=4 2049 B16R2.2304 CSCc1ccccc1Sc2cscn2 62a_100000751502_100000148299 [0,0,0,0,0,1|3,0,0]=4 2050 B16R2.2304 CSCc1ccccc1Sc2ncc[nH]2 62a_100000148299_100025796157 [0,0,0,0,0,1|3,0,0]=4 2051 B16R2.2304 CSCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000148299 [0,0,0,0,0,1|3,0,0]=4 2052 B16R2.2304 CSCc1ccccc1Sc2ncco2 62a_100000148299_100011787736 [0,0,0,0,0,1|2,1,0]=4 2053 B16R2.2304 CSCc1ccccc1Sc2ncco2 62a_100011787736_100000148299 [0,0,0,0,0,1|2,1,0]=4 2054 B16R2.2304 CSCc1ccccc1Sc2nccs2 62a_100000148299_100000211983 [0,0,0,0,0,1|2,0,0]=3 2055 B16R2.2304 CSCc1ccccc1Sc2nccs2 62a_100000211983_100000148299 [0,0,0,0,0,1|2,0,0]=3 2056 B16R2.2304 CSCc1ccccc1Sc2ncns2 62a_100000148299_100000693119 [0,0,0,0,0,1|3,0,0]=4 2057 B16R2.2304 CSCc1ccccc1Sc2ncns2 62a_100000693119_100000148299 [0,0,0,0,0,1|3,0,0]=4 2058 B16R2.2304 CSCc1ccccc1Sc2nncs2 62a_100000148299_100000739804 [0,0,0,0,0,1|3,0,0]=4 2059 B16R2.2304 CSCc1ccccc1Sc2nncs2 62a_100000739804_100000148299 [0,0,0,0,0,1|3,0,0]=4 2060 B16R2.2304 N#CCc1ccccc1Sc2ccco2 62a_100000033512_100009814098 [0,0,0,0,0,1|2,1,0]=4 2061 B16R2.2304 N#CCc1ccccc1Sc2ccco2 62a_100009814098_100000033512 [0,0,0,0,0,1|2,1,0]=4 2062 B16R2.2304 N#CCc1ccccc1Sc2cccs2 62a_100000033512_100011215356 [0,0,0,0,0,1|2,0,0]=3 2063 B16R2.2304 N#CCc1ccccc1Sc2cccs2 62a_100011215356_100000033512 [0,0,0,0,0,1|2,0,0]=3 2064 B16R2.2304 N#CCc1ccccc1Sc2cncs2 62a_100000033512_100011934649 [0,0,0,0,0,1|3,0,0]=4 2065 B16R2.2304 N#CCc1ccccc1Sc2cncs2 62a_100011934649_100000033512 [0,0,0,0,0,1|3,0,0]=4 2066 B16R2.2304 N#CCc1ccccc1Sc2nccs2 62a_100000033512_100000211983 [0,0,0,0,0,1|3,0,0]=4 2067 B16R2.2304 N#CCc1ccccc1Sc2nccs2 62a_100000211983_100000033512 [0,0,0,0,0,1|3,0,0]=4 2068 B16R2.2304 N#CCc1cccnc1Sc2cccs2 62a_100000096391_100011215356 [0,0,0,0,0,1|3,0,0]=4 2069 B16R2.2304 N#CCc1cccnc1Sc2cccs2 62a_100011215356_100000096391 [0,0,0,0,0,1|3,0,0]=4 2070 B16R2.2304 N#CCc1ncccc1Sc2cccs2 62a_100011215356_100011824415 [0,0,0,0,0,1|3,0,0]=4 2071 B16R2.2304 N#CCc1ncccc1Sc2cccs2 62a_100011824415_100011215356 [0,0,0,0,0,1|3,0,0]=4 2072 B16R2.2304 N#CNc1ccccc1Sc2cccs2 62a_100011215356_100011685340 [0,0,0,0,0,1|3,0,0]=4 2073 B16R2.2304 NCCc1ccccc1Sc2ccco2 62a_100000747383_100009814098 [0,0,0,0,0,1|2,1,0]=4 2074 B16R2.2304 NCCc1ccccc1Sc2ccco2 62a_100009814098_100000747383 [0,0,0,0,0,1|2,1,0]=4 2075 B16R2.2304 NCCc1ccccc1Sc2cccs2 62a_100000747383_100011215356 [0,0,0,0,0,1|2,0,0]=3 2076 B16R2.2304 NCCc1ccccc1Sc2cccs2 62a_100011215356_100000747383 [0,0,0,0,0,1|2,0,0]=3 2077 B16R2.2304 NCCc1ccccc1Sc2cncs2 62a_100000747383_100011934649 [0,0,0,0,0,1|3,0,0]=4 2078 B16R2.2304 NCCc1ccccc1Sc2cncs2 62a_100011934649_100000747383 [0,0,0,0,0,1|3,0,0]=4 2079 B16R2.2304 NCCc1ccccc1Sc2nccs2 62a_100000211983_100000747383 [0,0,0,0,0,1|3,0,0]=4 2080 B16R2.2304 NCCc1ccccc1Sc2nccs2 62a_100000747383_100000211983 [0,0,0,0,0,1|3,0,0]=4 2081 B16R2.2304 NNCc1ccccc1Sc2c[nH]cn2 62a_100000756875_200016993956 [0,0,0,0,0,1|3,0,0]=4 2082 B16R2.2304 NNCc1ccccc1Sc2c[nH]cn2 62a_200016993956_100000756875 [0,0,0,0,0,1|3,0,0]=4 2083 B16R2.2304 NNCc1ccccc1Sc2cc[nH]n2 62a_100000062575_200016993956 [0,0,0,0,0,1|3,0,0]=4 2084 B16R2.2304 NNCc1ccccc1Sc2cc[nH]n2 62a_200016993956_100000062575 [0,0,0,0,0,1|3,0,0]=4 2085 B16R2.2304 NNCc1ccccc1Sc2ccco2 62a_100009814098_200016993956 [0,0,0,0,0,1|1,1,0]=3 2086 B16R2.2304 NNCc1ccccc1Sc2ccco2 62a_200016993956_100009814098 [0,0,0,0,0,1|1,1,0]=3 2087 B16R2.2304 NNCc1ccccc1Sc2cccs2 62a_100011215356_200016993956 [0,0,0,0,0,1|1,0,0]=2 2088 B16R2.2304 NNCc1ccccc1Sc2cccs2 62a_200016993956_100011215356 [0,0,0,0,0,1|1,0,0]=2 2089 B16R2.2304 NNCc1ccccc1Sc2ccoc2 62a_100011215275_200016993956 [0,0,0,0,0,1|3,0,0]=4 2090 B16R2.2304 NNCc1ccccc1Sc2ccoc2 62a_200016993956_100011215275 [0,0,0,0,0,1|3,0,0]=4 2091 B16R2.2304 NNCc1ccccc1Sc2ccon2 62a_100009818083_200016993956 [0,0,0,0,0,1|3,0,0]=4 2092 B16R2.2304 NNCc1ccccc1Sc2ccon2 62a_200016993956_100009818083 [0,0,0,0,0,1|3,0,0]=4 2093 B16R2.2304 NNCc1ccccc1Sc2ccsc2 62a_100000738268_200016993956 [0,0,0,0,0,1|3,0,0]=4 2094 B16R2.2304 NNCc1ccccc1Sc2ccsc2 62a_200016993956_100000738268 [0,0,0,0,0,1|3,0,0]=4 2095 B16R2.2304 NNCc1ccccc1Sc2ccsn2 62a_100009818082_200016993956 [0,0,0,0,0,1|3,0,0]=4 2096 B16R2.2304 NNCc1ccccc1Sc2ccsn2 62a_200016993956_100009818082 [0,0,0,0,0,1|3,0,0]=4 2097 B16R2.2304 NNCc1ccccc1Sc2cnco2 62a_100020591547_200016993956 [0,0,0,0,0,1|2,1,0]=4 2098 B16R2.2304 NNCc1ccccc1Sc2cnco2 62a_200016993956_100020591547 [0,0,0,0,0,1|2,1,0]=4 2099 B16R2.2304 NNCc1ccccc1Sc2cncs2 62a_100011934649_200016993956 [0,0,0,0,0,1|2,0,0]=3 2100 B16R2.2304 NNCc1ccccc1Sc2cncs2 62a_200016993956_100011934649 [0,0,0,0,0,1|2,0,0]=3 2101 B16R2.2304 NNCc1ccccc1Sc2cscn2 62a_100000751502_200016993956 [0,0,0,0,0,1|3,0,0]=4 2102 B16R2.2304 NNCc1ccccc1Sc2cscn2 62a_200016993956_100000751502 [0,0,0,0,0,1|3,0,0]=4 2103 B16R2.2304 NNCc1ccccc1Sc2ncc[nH]2 62a_100025796157_200016993956 [0,0,0,0,0,1|3,0,0]=4 2104 B16R2.2304 NNCc1ccccc1Sc2ncc[nH]2 62a_200016993956_100025796157 [0,0,0,0,0,1|3,0,0]=4 2105 B16R2.2304 NNCc1ccccc1Sc2ncco2 62a_100011787736_200016993956 [0,0,0,0,0,1|2,1,0]=4 2106 B16R2.2304 NNCc1ccccc1Sc2ncco2 62a_200016993956_100011787736 [0,0,0,0,0,1|2,1,0]=4 2107 B16R2.2304 NNCc1ccccc1Sc2nccs2 62a_100000211983_200016993956 [0,0,0,0,0,1|2,0,0]=3 2108 B16R2.2304 NNCc1ccccc1Sc2nccs2 62a_200016993956_100000211983 [0,0,0,0,0,1|2,0,0]=3 2109 B16R2.2304 NNCc1ccccc1Sc2ncns2 62a_100000693119_200016993956 [0,0,0,0,0,1|3,0,0]=4 2110 B16R2.2304 NNCc1ccccc1Sc2ncns2 62a_200016993956_100000693119 [0,0,0,0,0,1|3,0,0]=4 2111 B16R2.2304 NNCc1ccccc1Sc2nncs2 62a_100000739804_200016993956 [0,0,0,0,0,1|3,0,0]=4 2112 B16R2.2304 NNCc1ccccc1Sc2nncs2 62a_200016993956_100000739804 [0,0,0,0,0,1|3,0,0]=4 2113 B16R2.2304 O=CNc1ccccc1Sc2cccs2 62a_100011215356_200020615051 [0,0,0,0,0,1|3,0,0]=4 2114 B16R2.2304 O=CNc1ccccc1Sc2cccs2 62a_200020615051_100011215356 [0,0,0,0,0,1|3,0,0]=4 2115 B16R2.2304 OCCc1ccccc1Sc2ccco2 62a_100000731337_100009814098 [0,0,0,0,0,1|2,1,0]=4 2116 B16R2.2304 OCCc1ccccc1Sc2ccco2 62a_100009814098_100000731337 [0,0,0,0,0,1|2,1,0]=4 2117 B16R2.2304 OCCc1ccccc1Sc2cccs2 62a_100000731337_100011215356 [0,0,0,0,0,1|2,0,0]=3 2118 B16R2.2304 OCCc1ccccc1Sc2cccs2 62a_100011215356_100000731337 [0,0,0,0,0,1|2,0,0]=3 2119 B16R2.2304 OCCc1ccccc1Sc2cncs2 62a_100000731337_100011934649 [0,0,0,0,0,1|3,0,0]=4 2120 B16R2.2304 OCCc1ccccc1Sc2cncs2 62a_100011934649_100000731337 [0,0,0,0,0,1|3,0,0]=4 2121 B16R2.2304 OCCc1ccccc1Sc2nccs2 62a_100000211983_100000731337 [0,0,0,0,0,1|3,0,0]=4 2122 B16R2.2304 OCCc1ccccc1Sc2nccs2 62a_100000731337_100000211983 [0,0,0,0,0,1|3,0,0]=4 2123 B16R2.2304 [13CH3]NCc1ccccc1Cn2cccn2 34a_100000234957_200025704644 [0,0,0,0,0,1|2,0,0]=3 2124 B16R2.2304 [N-]=[N+]=Nc1ccccc1Sc2cccs2 62a_100011215356_100000762926 [0,0,0,0,0,1|2,0,1]=4 2125 B13R1.464 C=CCC(=O)c1ccccc1CC 1458a_100000689120_100000210623 [1,0,1,0,0,0|0,1,1]=4 2126 B13R1.485 C=CCOc1ccccc1CNC 207a_100102657272_100000172050 [1,0,1,0,0,0|0,1,1]=4 2127 B13R1.485 C=CCOc1ccccc1CNC 270004a_106832991635_100000172050 [1,0,1,0,0,0|0,1,1]=4 2128 B13R1.485 C=CCOc1ccccc1CNC 34a_100015189988_100015514636 [1,0,1,0,0,0|0,1,1]=4 2129 B13R1.485 C=CCSc1ccccc1CNC 62a_100000184654_100000210623 [1,0,1,0,0,0|0,0,1]=3 2130 B13R1.485 C=CCSc1ccccc1CNC 62a_100000210623_100000184654 [1,0,1,0,0,0|0,0,1]=3 2131 B13R1.485 C=CCSc1ccccc1CNN 62a_100000210623_200016993956 [1,0,1,0,0,0|1,0,1]=4 2132 B13R1.485 C=CCSc1ccccc1CNN 62a_200016993956_100000210623 [1,0,1,0,0,0|1,0,1]=4 2133 B13R1.485 C=CCSc1ccccc1COC 62a_100000210623_100011493684 [1,0,1,0,0,0|1,0,1]=4 2134 B13R1.485 C=CCSc1ccccc1COC 62a_100011493684_100000210623 [1,0,1,0,0,0|1,0,1]=4 2135 B13R1.485 C=CCSc1ccccc1CSC 62a_100000148299_100000210623 [1,0,1,0,0,0|1,0,1]=4 2136 B13R1.485 C=CCSc1ccccc1CSC 62a_100000210623_100000148299 [1,0,1,0,0,0|1,0,1]=4 2137 B13R1.485 C=CCSc1ncccc1CNC 62a_100000210623_103496529121 [1,0,1,0,0,0|1,0,1]=4 2138 B13R1.485 C=CCSc1ncccc1CNC 62a_103496529121_100000210623 [1,0,1,0,0,0|1,0,1]=4 2139 B13R1.485 CNCc1ccccc1SCC=O 62a_100000184654_200015260668 [1,0,1,0,0,0|1,0,1]=4 2140 B13R1.485 CNCc1ccccc1SCC=O 62a_200015260668_100000184654 [1,0,1,0,0,0|1,0,1]=4 2141 B13R2.18 Brc1ccccc1c2ccco2 271570a_100000750936_100000695589 [2,0,0,0,0,0|1,1,0]=4 2142 B13R2.18 Brc1ccccc1c2cccs2 271570a_100000742291_100000695589 [2,0,0,0,0,0|1,0,0]=3 2143 B13R2.18 Brc1ccccc1c2cncs2 271570a_100010231675_100000695589 [2,0,0,0,0,0|2,0,0]=4 2144 B13R2.18 Brc1cccnc1c2cccs2 271570a_100000742291_100000696092 [2,0,0,0,0,0|2,0,0]=4 2145 B13R2.18 Brc1ccncc1c2cccs2 271570a_100000742291_100010138639 [2,0,0,0,0,0|2,0,0]=4 2146 B13R2.18 Brc1cnccc1c2cccs2 271570a_100000742291_100000726257 [2,0,0,0,0,0|2,0,0]=4 2147 B13R2.18 Brc1ncccc1c2cccs2 271570a_100000742291_100010202626 [2,0,0,0,0,0|2,0,0]=4 2148 B13R2.18 C[n+]1ccccc1c2ccco2 271570a_100000750936_100000212160 [2,0,0,0,0,0|1,1,0]=4 2149 B13R2.18 C[n+]1ccccc1c2cccs2 271570a_100000742291_100000212160 [2,0,0,0,0,0|1,0,0]=3 2150 B13R2.18 C[n+]1ccccc1c2cncs2 271570a_100010231675_100000212160 [2,0,0,0,0,0|2,0,0]=4 2151 B13R2.18 Cc1ccccc1c2c[nH]cn2 271570a_100000747142_100000756875 [2,0,0,0,0,0|2,0,0]=4 2152 B13R2.18 Cc1ccccc1c2cc[nH]c2 271570a_100000102155_100000210755 [2,0,0,0,0,0|2,0,0]=4 2153 B13R2.18 Cc1ccccc1c2cc[nH]n2 271570a_100000062414_100000210755 [2,0,0,0,0,0|2,0,0]=4 2154 B13R2.18 Cc1ccccc1c2cc[nH]n2 271570a_100000747142_100000062575 [2,0,0,0,0,0|2,0,0]=4 2155 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000747142_100009814098 [2,0,0,0,0,0|0,1,0]=3 2156 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000750936_100000210755 [2,0,0,0,0,0|0,1,0]=3 2157 B13R2.18 Cc1ccccc1c2cccs2 271570a_100000742291_100000210755 [2,0,0,0,0,0|0,0,0]=2 2158 B13R2.18 Cc1ccccc1c2cccs2 271570a_100000747142_100011215356 [2,0,0,0,0,0|0,0,0]=2 2159 B13R2.18 Cc1ccccc1c2ccoc2 271570a_100000747142_100011215275 [2,0,0,0,0,0|2,0,0]=4 2160 B13R2.18 Cc1ccccc1c2ccoc2 271570a_100011218838_100000210755 [2,0,0,0,0,0|2,0,0]=4 2161 B13R2.18 Cc1ccccc1c2ccsc2 271570a_100000747142_100000738268 [2,0,0,0,0,0|2,0,0]=4 2162 B13R2.18 Cc1ccccc1c2ccsc2 271570a_100011934443_100000210755 [2,0,0,0,0,0|2,0,0]=4 2163 B13R2.18 Cc1ccccc1c2ccsn2 271570a_100000747142_100009818082 [2,0,0,0,0,0|2,0,0]=4 2164 B13R2.18 Cc1ccccc1c2cnco2 271570a_100000747142_100020591547 [2,0,0,0,0,0|1,1,0]=4 2165 B13R2.18 Cc1ccccc1c2cncs2 271570a_100000747142_100011934649 [2,0,0,0,0,0|1,0,0]=3 2166 B13R2.18 Cc1ccccc1c2cncs2 271570a_100010231675_100000210755 [2,0,0,0,0,0|1,0,0]=3 2167 B13R2.18 Cc1ccccc1c2cscn2 271570a_100000747142_100000751502 [2,0,0,0,0,0|2,0,0]=4 2168 B13R2.18 Cc1ccccc1c2ncc[nH]2 271570a_100000747142_100025796157 [2,0,0,0,0,0|2,0,0]=4 2169 B13R2.18 Cc1ccccc1c2ncc[nH]2 271570a_100016988920_100000210755 [2,0,0,0,0,0|2,0,0]=4 2170 B13R2.18 Cc1ccccc1c2ncco2 271570a_100000747142_100011787736 [2,0,0,0,0,0|1,1,0]=4 2171 B13R2.18 Cc1ccccc1c2nccs2 271570a_100000747142_100000211983 [2,0,0,0,0,0|1,0,0]=3 2172 B13R2.18 Cc1ccccc1c2ncns2 271570a_100000747142_100000693119 [2,0,0,0,0,0|2,0,0]=4 2173 B13R2.18 Cc1ccccc1c2nncs2 271570a_100000747142_100000739804 [2,0,0,0,0,0|2,0,0]=4 2174 B13R2.18 Cc1cccnc1c2ccco2 271570a_100000750936_100000751373 [2,0,0,0,0,0|1,1,0]=4 2175 B13R2.18 Cc1cccnc1c2cccs2 271570a_100000742291_100000751373 [2,0,0,0,0,0|1,0,0]=3 2176 B13R2.18 Cc1cccnc1c2cncs2 271570a_100010231675_100000751373 [2,0,0,0,0,0|2,0,0]=4 2177 B13R2.18 Cc1ccncc1c2ccco2 271570a_100000750936_100000761580 [2,0,0,0,0,0|1,1,0]=4 2178 B13R2.18 Cc1ccncc1c2ccco2 271570a_100011935247_100009814098 [2,0,0,0,0,0|1,1,0]=4 2179 B13R2.18 Cc1ccncc1c2cccs2 271570a_100000742291_100000761580 [2,0,0,0,0,0|1,0,0]=3 2180 B13R2.18 Cc1ccncc1c2cccs2 271570a_100011935247_100011215356 [2,0,0,0,0,0|1,0,0]=3 2181 B13R2.18 Cc1ccncc1c2cncs2 271570a_100010231675_100000761580 [2,0,0,0,0,0|2,0,0]=4 2182 B13R2.18 Cc1ccncc1c2cncs2 271570a_100011935247_100011934649 [2,0,0,0,0,0|2,0,0]=4 2183 B13R2.18 Cc1ccncc1c2nccs2 271570a_100011935247_100000211983 [2,0,0,0,0,0|2,0,0]=4 2184 B13R2.18 Cc1ccnnc1c2cccs2 271570a_100000742291_100000089043 [2,0,0,0,0,0|2,0,0]=4 2185 B13R2.18 Cc1cnccc1c2ccco2 271570a_100000701363_100009814098 [2,0,0,0,0,0|1,1,0]=4 2186 B13R2.18 Cc1cnccc1c2ccco2 271570a_100000750936_100015191297 [2,0,0,0,0,0|1,1,0]=4 2187 B13R2.18 Cc1cnccc1c2cccs2 271570a_100000701363_100011215356 [2,0,0,0,0,0|1,0,0]=3 2188 B13R2.18 Cc1cnccc1c2cccs2 271570a_100000742291_100015191297 [2,0,0,0,0,0|1,0,0]=3 2189 B13R2.18 Cc1cnccc1c2cncs2 271570a_100000701363_100011934649 [2,0,0,0,0,0|2,0,0]=4 2190 B13R2.18 Cc1cnccc1c2cncs2 271570a_100010231675_100015191297 [2,0,0,0,0,0|2,0,0]=4 2191 B13R2.18 Cc1cnccc1c2nccs2 271570a_100000701363_100000211983 [2,0,0,0,0,0|2,0,0]=4 2192 B13R2.18 Cc1cncnc1c2cccs2 271570a_100000742291_100011998708 [2,0,0,0,0,0|2,0,0]=4 2193 B13R2.18 Cc1ncccc1c2ccco2 271570a_100000750936_100000751574 [2,0,0,0,0,0|1,1,0]=4 2194 B13R2.18 Cc1ncccc1c2ccco2 271570a_100011934933_100009814098 [2,0,0,0,0,0|1,1,0]=4 2195 B13R2.18 Cc1ncccc1c2cccs2 271570a_100000742291_100000751574 [2,0,0,0,0,0|1,0,0]=3 2196 B13R2.18 Cc1ncccc1c2cccs2 271570a_100011934933_100011215356 [2,0,0,0,0,0|1,0,0]=3 2197 B13R2.18 Cc1ncccc1c2cncs2 271570a_100010231675_100000751574 [2,0,0,0,0,0|2,0,0]=4 2198 B13R2.18 Cc1ncccc1c2cncs2 271570a_100011934933_100011934649 [2,0,0,0,0,0|2,0,0]=4 2199 B13R2.18 Cc1ncccc1c2nccs2 271570a_100011934933_100000211983 [2,0,0,0,0,0|2,0,0]=4 2200 B13R2.18 Cc1nccnc1c2cccs2 271570a_100000742291_100011999405 [2,0,0,0,0,0|2,0,0]=4 2201 B13R2.18 Cc1ncncc1c2cccs2 271570a_100000742291_100009819671 [2,0,0,0,0,0|2,0,0]=4 2202 B13R2.18 Cc1ncncc1c2cccs2 271570a_200010046012_100011215356 [2,0,0,0,0,0|2,0,0]=4 2203 B13R2.18 Clc1ccccc1c2ccco2 271570a_100000750936_100000764095 [2,0,0,0,0,0|1,1,0]=4 2204 B13R2.18 Clc1ccccc1c2ccco2 271570a_100011934419_100009814098 [2,0,0,0,0,0|1,1,0]=4 2205 B13R2.18 Clc1ccccc1c2cccs2 271570a_100000742291_100000764095 [2,0,0,0,0,0|1,0,0]=3 2206 B13R2.18 Clc1ccccc1c2cccs2 271570a_100011934419_100011215356 [2,0,0,0,0,0|1,0,0]=3 2207 B13R2.18 Clc1ccccc1c2cncs2 271570a_100010231675_100000764095 [2,0,0,0,0,0|2,0,0]=4 2208 B13R2.18 Clc1ccccc1c2cncs2 271570a_100011934419_100011934649 [2,0,0,0,0,0|2,0,0]=4 2209 B13R2.18 Clc1ccccc1c2nccs2 271570a_100011934419_100000211983 [2,0,0,0,0,0|2,0,0]=4 2210 B13R2.18 Clc1cccnc1c2cccs2 271570a_100000742291_100011356963 [2,0,0,0,0,0|2,0,0]=4 2211 B13R2.18 Clc1cccnc1c2cccs2 271570a_100009857861_100011215356 [2,0,0,0,0,0|2,0,0]=4 2212 B13R2.18 Clc1ccncc1c2cccs2 271570a_100000062317_100011215356 [2,0,0,0,0,0|2,0,0]=4 2213 B13R2.18 Clc1ccncc1c2cccs2 271570a_100000742291_100009995489 [2,0,0,0,0,0|2,0,0]=4 2214 B13R2.18 Clc1cnccc1c2cccs2 271570a_100000062318_100011215356 [2,0,0,0,0,0|2,0,0]=4 2215 B13R2.18 Clc1cnccc1c2cccs2 271570a_100000742291_100000708259 [2,0,0,0,0,0|2,0,0]=4 2216 B13R2.18 Clc1ncccc1c2cccs2 271570a_100000047009_100011215356 [2,0,0,0,0,0|2,0,0]=4 2217 B13R2.18 Clc1ncccc1c2cccs2 271570a_100000742291_100000036424 [2,0,0,0,0,0|2,0,0]=4 2218 B13R2.18 Fc1ccccc1c2ccco2 271570a_100000750936_100011215700 [2,0,0,0,0,0|1,1,0]=4 2219 B13R2.18 Fc1ccccc1c2ccco2 271570a_100000761933_100009814098 [2,0,0,0,0,0|1,1,0]=4 2220 B13R2.18 Fc1ccccc1c2cccs2 271570a_100000742291_100011215700 [2,0,0,0,0,0|1,0,0]=3 2221 B13R2.18 Fc1ccccc1c2cccs2 271570a_100000761933_100011215356 [2,0,0,0,0,0|1,0,0]=3 2222 B13R2.18 Fc1ccccc1c2cncs2 271570a_100000761933_100011934649 [2,0,0,0,0,0|2,0,0]=4 2223 B13R2.18 Fc1ccccc1c2cncs2 271570a_100010231675_100011215700 [2,0,0,0,0,0|2,0,0]=4 2224 B13R2.18 Fc1ccccc1c2nccs2 271570a_100000761933_100000211983 [2,0,0,0,0,0|2,0,0]=4 2225 B13R2.18 Fc1cccnc1c2cccs2 271570a_100000742291_100000685392 [2,0,0,0,0,0|2,0,0]=4 2226 B13R2.18 Fc1ccncc1c2cccs2 271570a_100000742291_100009820683 [2,0,0,0,0,0|2,0,0]=4 2227 B13R2.18 Fc1cnccc1c2cccs2 271570a_100000742291_100000047030 [2,0,0,0,0,0|2,0,0]=4 2228 B13R2.18 Fc1cnccc1c2cccs2 271570a_100011290801_100011215356 [2,0,0,0,0,0|2,0,0]=4 2229 B13R2.18 Fc1ncccc1c2cccs2 271570a_100000042387_100011215356 [2,0,0,0,0,0|2,0,0]=4 2230 B13R2.18 Fc1ncccc1c2cccs2 271570a_100000742291_100009816115 [2,0,0,0,0,0|2,0,0]=4 2231 B13R2.18 Ic1ccccc1c2ccco2 271570a_100000069755_100009814098 [2,0,0,0,0,0|1,1,0]=4 2232 B13R2.18 Ic1ccccc1c2cccs2 271570a_100000069755_100011215356 [2,0,0,0,0,0|1,0,0]=3 2233 B13R2.18 Ic1ccccc1c2cncs2 271570a_100000069755_100011934649 [2,0,0,0,0,0|2,0,0]=4 2234 B13R2.18 Ic1ccccc1c2nccs2 271570a_100000069755_100000211983 [2,0,0,0,0,0|2,0,0]=4 2235 B13R2.18 Nc1ccccc1c2c[nH]cn2 271570a_100000034411_100000756875 [2,0,0,0,0,0|2,0,0]=4 2236 B13R2.18 Nc1ccccc1c2cc[nH]c2 271570a_100000102155_100000210017 [2,0,0,0,0,0|2,0,0]=4 2237 B13R2.18 Nc1ccccc1c2cc[nH]n2 271570a_100000034411_100000062575 [2,0,0,0,0,0|2,0,0]=4 2238 B13R2.18 Nc1ccccc1c2cc[nH]n2 271570a_100000062414_100000210017 [2,0,0,0,0,0|2,0,0]=4 2239 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000034411_100009814098 [2,0,0,0,0,0|0,1,0]=3 2240 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000750936_100000210017 [2,0,0,0,0,0|0,1,0]=3 2241 B13R2.18 Nc1ccccc1c2cccs2 271570a_100000034411_100011215356 [2,0,0,0,0,0|0,0,0]=2 2242 B13R2.18 Nc1ccccc1c2cccs2 271570a_100000742291_100000210017 [2,0,0,0,0,0|0,0,0]=2 2243 B13R2.18 Nc1ccccc1c2ccoc2 271570a_100000034411_100011215275 [2,0,0,0,0,0|2,0,0]=4 2244 B13R2.18 Nc1ccccc1c2ccoc2 271570a_100011218838_100000210017 [2,0,0,0,0,0|2,0,0]=4 2245 B13R2.18 Nc1ccccc1c2ccsc2 271570a_100000034411_100000738268 [2,0,0,0,0,0|2,0,0]=4 2246 B13R2.18 Nc1ccccc1c2ccsc2 271570a_100011934443_100000210017 [2,0,0,0,0,0|2,0,0]=4 2247 B13R2.18 Nc1ccccc1c2ccsn2 271570a_100000034411_100009818082 [2,0,0,0,0,0|2,0,0]=4 2248 B13R2.18 Nc1ccccc1c2cnco2 271570a_100000034411_100020591547 [2,0,0,0,0,0|1,1,0]=4 2249 B13R2.18 Nc1ccccc1c2cncs2 271570a_100000034411_100011934649 [2,0,0,0,0,0|1,0,0]=3 2250 B13R2.18 Nc1ccccc1c2cncs2 271570a_100010231675_100000210017 [2,0,0,0,0,0|1,0,0]=3 2251 B13R2.18 Nc1ccccc1c2cscn2 271570a_100000034411_100000751502 [2,0,0,0,0,0|2,0,0]=4 2252 B13R2.18 Nc1ccccc1c2ncc[nH]2 271570a_100000034411_100025796157 [2,0,0,0,0,0|2,0,0]=4 2253 B13R2.18 Nc1ccccc1c2ncc[nH]2 271570a_100016988920_100000210017 [2,0,0,0,0,0|2,0,0]=4 2254 B13R2.18 Nc1ccccc1c2ncco2 271570a_100000034411_100011787736 [2,0,0,0,0,0|1,1,0]=4 2255 B13R2.18 Nc1ccccc1c2nccs2 271570a_100000034411_100000211983 [2,0,0,0,0,0|1,0,0]=3 2256 B13R2.18 Nc1ccccc1c2ncns2 271570a_100000034411_100000693119 [2,0,0,0,0,0|2,0,0]=4 2257 B13R2.18 Nc1ccccc1c2nncs2 271570a_100000034411_100000739804 [2,0,0,0,0,0|2,0,0]=4 2258 B13R2.18 Nc1cccnc1c2ccco2 271570a_100000750936_100000688686 [2,0,0,0,0,0|1,1,0]=4 2259 B13R2.18 Nc1cccnc1c2cccs2 271570a_100000742291_100000688686 [2,0,0,0,0,0|1,0,0]=3 2260 B13R2.18 Nc1cccnc1c2cncs2 271570a_100010231675_100000688686 [2,0,0,0,0,0|2,0,0]=4 2261 B13R2.18 Nc1ccncc1c2ccco2 271570a_100000750936_100000047001 [2,0,0,0,0,0|1,1,0]=4 2262 B13R2.18 Nc1ccncc1c2ccco2 271570a_200010248739_100009814098 [2,0,0,0,0,0|1,1,0]=4 2263 B13R2.18 Nc1ccncc1c2cccs2 271570a_100000742291_100000047001 [2,0,0,0,0,0|1,0,0]=3 2264 B13R2.18 Nc1ccncc1c2cccs2 271570a_200010248739_100011215356 [2,0,0,0,0,0|1,0,0]=3 2265 B13R2.18 Nc1ccncc1c2cncs2 271570a_100010231675_100000047001 [2,0,0,0,0,0|2,0,0]=4 2266 B13R2.18 Nc1ccncc1c2cncs2 271570a_200010248739_100011934649 [2,0,0,0,0,0|2,0,0]=4 2267 B13R2.18 Nc1ccncc1c2nccs2 271570a_200010248739_100000211983 [2,0,0,0,0,0|2,0,0]=4 2268 B13R2.18 Nc1cnccc1c2ccco2 271570a_100000750936_100009815883 [2,0,0,0,0,0|1,1,0]=4 2269 B13R2.18 Nc1cnccc1c2cccs2 271570a_100000742291_100009815883 [2,0,0,0,0,0|1,0,0]=3 2270 B13R2.18 Nc1cnccc1c2cncs2 271570a_100010231675_100009815883 [2,0,0,0,0,0|2,0,0]=4 2271 B13R2.18 Nc1cncnc1c2cccs2 271570a_100000742291_100000709731 [2,0,0,0,0,0|2,0,0]=4 2272 B13R2.18 Nc1cnncc1c2cccs2 271570a_100000742291_100009829405 [2,0,0,0,0,0|2,0,0]=4 2273 B13R2.18 Nc1ncccc1c2ccco2 271570a_100000071976_100009814098 [2,0,0,0,0,0|1,1,0]=4 2274 B13R2.18 Nc1ncccc1c2ccco2 271570a_100000750936_100000045569 [2,0,0,0,0,0|1,1,0]=4 2275 B13R2.18 Nc1ncccc1c2cccs2 271570a_100000071976_100011215356 [2,0,0,0,0,0|1,0,0]=3 2276 B13R2.18 Nc1ncccc1c2cccs2 271570a_100000742291_100000045569 [2,0,0,0,0,0|1,0,0]=3 2277 B13R2.18 Nc1ncccc1c2cncs2 271570a_100000071976_100011934649 [2,0,0,0,0,0|2,0,0]=4 2278 B13R2.18 Nc1ncccc1c2cncs2 271570a_100010231675_100000045569 [2,0,0,0,0,0|2,0,0]=4 2279 B13R2.18 Nc1ncccc1c2nccs2 271570a_100000071976_100000211983 [2,0,0,0,0,0|2,0,0]=4 2280 B13R2.18 Nc1nccnc1c2cccs2 271570a_100000742291_100000747729 [2,0,0,0,0,0|2,0,0]=4 2281 B13R2.18 Nc1ncncc1c2cccs2 271570a_100000742291_100011996079 [2,0,0,0,0,0|2,0,0]=4 2282 B13R2.18 O=c1[nH]cccc1c2cccs2 271570a_100000099769_100011215356 [2,0,0,0,0,0|2,0,0]=4 2283 B13R2.18 O=c1[nH]cccc1c2cccs2 271570a_100000742291_100000050042 [2,0,0,0,0,0|2,0,0]=4 2284 B13R2.18 O=c1cc[nH]cc1c2cccs2 271570a_100000742291_100009998708 [2,0,0,0,0,0|2,0,0]=4 2285 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000035170_100009814098 [2,0,0,0,0,0|1,1,0]=4 2286 B13R2.18 Oc1ccccc1c2ccco2 271570a_100000750936_100000739446 [2,0,0,0,0,0|1,1,0]=4 2287 B13R2.18 Oc1ccccc1c2cccs2 271570a_100000035170_100011215356 [2,0,0,0,0,0|1,0,0]=3 2288 B13R2.18 Oc1ccccc1c2cccs2 271570a_100000742291_100000739446 [2,0,0,0,0,0|1,0,0]=3 2289 B13R2.18 Oc1ccccc1c2cncs2 271570a_100000035170_100011934649 [2,0,0,0,0,0|2,0,0]=4 2290 B13R2.18 Oc1ccccc1c2cncs2 271570a_100010231675_100000739446 [2,0,0,0,0,0|2,0,0]=4 2291 B13R2.18 Oc1ccccc1c2nccs2 271570a_100000035170_100000211983 [2,0,0,0,0,0|2,0,0]=4 2292 B13R2.18 Oc1ccccc1c2nccs2 271570a_203496583355_103496549459 [2,0,0,0,0,0|2,0,0]=4 2293 B13R2.18 Oc1cccnc1c2cccs2 271570a_100000742291_100000034122 [2,0,0,0,0,0|2,0,0]=4 2294 B13R2.18 Oc1cnccc1c2cccs2 271570a_100000742291_100009817591 [2,0,0,0,0,0|2,0,0]=4 2295 B13R2.18 S=c1cc[nH]cc1c2cccs2 271570a_100000742291_200012280681 [2,0,0,0,0,0|2,0,0]=4 2296 B13R2.18 [O-][n+]1ccccc1c2cccs2 271570a_100000742291_200000042595 [2,0,0,0,0,0|2,0,0]=4 2297 B15R1.810 C=CCC(=O)c1ccccc1CN(C)C 1458a_100000743624_100000210623 [0,1,1,0,0,0|0,1,1]=4 2298 B15R2.1221 C=C(C)c1ccccc1c2nccs2 271570a_100000694244_103496549459 [1,1,0,0,0,0|1,0,1]=4 2299 B15R2.1221 CC(=O)c1ccccc1c2ccco2 1458a_100011217322_200000210301 [1,1,0,0,0,0|0,1,1]=4 2300 B15R2.1221 CC(=O)c1ccccc1c2ccco2 271570a_100000750936_100000751169 [1,1,0,0,0,0|0,1,1]=4 2301 B15R2.1221 CC(=O)c1ccccc1c2ccco2 271570a_100010158976_100009814098 [1,1,0,0,0,0|0,1,1]=4 2302 B15R2.1221 CC(=O)c1ccccc1c2cccs2 1458a_100011191954_200000210301 [1,1,0,0,0,0|0,0,1]=3 2303 B15R2.1221 CC(=O)c1ccccc1c2cccs2 271570a_100000742291_100000751169 [1,1,0,0,0,0|0,0,1]=3 2304 B15R2.1221 CC(=O)c1ccccc1c2cccs2 271570a_100010158976_100011215356 [1,1,0,0,0,0|0,0,1]=3 2305 B15R2.1221 CC(=O)c1ccccc1c2cncs2 271570a_100010158976_100011934649 [1,1,0,0,0,0|1,0,1]=4 2306 B15R2.1221 CC(=O)c1ccccc1c2cncs2 271570a_100010231675_100000751169 [1,1,0,0,0,0|1,0,1]=4 2307 B15R2.1221 CC(=O)c1ccccc1c2nccs2 271570a_100010158976_100000211983 [1,1,0,0,0,0|1,0,1]=4 2308 B15R2.1221 CC(=O)c1cccnc1c2cccs2 271570a_100000742291_100000753718 [1,1,0,0,0,0|1,0,1]=4 2309 B15R2.1221 CC(=O)c1ccncc1c2cccs2 271570a_100000742291_100009993184 [1,1,0,0,0,0|1,0,1]=4 2310 B15R2.1221 CC(=O)c1cnccc1c2cccs2 271570a_100000742291_100160469449 [1,1,0,0,0,0|1,0,1]=4 2311 B15R2.1221 CC(=O)c1ncccc1c2cccs2 271570a_100000742291_100012348690 [1,1,0,0,0,0|1,0,1]=4 2312 B15R2.1221 CC(C)c1ccccc1c2c[nH]cn2 271570a_100011218925_100000756875 [1,1,0,0,0,0|2,0,0]=4 2313 B15R2.1221 CC(C)c1ccccc1c2cc[nH]c2 271570a_100000102155_100011218076 [1,1,0,0,0,0|2,0,0]=4 2314 B15R2.1221 CC(C)c1ccccc1c2cc[nH]n2 271570a_100000062414_100011218076 [1,1,0,0,0,0|2,0,0]=4 2315 B15R2.1221 CC(C)c1ccccc1c2cc[nH]n2 271570a_100011218925_100000062575 [1,1,0,0,0,0|2,0,0]=4 2316 B15R2.1221 CC(C)c1ccccc1c2ccco2 271570a_100000750936_100011218076 [1,1,0,0,0,0|0,1,0]=3 2317 B15R2.1221 CC(C)c1ccccc1c2ccco2 271570a_100011218925_100009814098 [1,1,0,0,0,0|0,1,0]=3 2318 B15R2.1221 CC(C)c1ccccc1c2cccs2 271570a_100000742291_100011218076 [1,1,0,0,0,0|0,0,0]=2 2319 B15R2.1221 CC(C)c1ccccc1c2cccs2 271570a_100011218925_100011215356 [1,1,0,0,0,0|0,0,0]=2 2320 B15R2.1221 CC(C)c1ccccc1c2ccoc2 271570a_100011218838_100011218076 [1,1,0,0,0,0|2,0,0]=4 2321 B15R2.1221 CC(C)c1ccccc1c2ccoc2 271570a_100011218925_100011215275 [1,1,0,0,0,0|2,0,0]=4 2322 B15R2.1221 CC(C)c1ccccc1c2ccsc2 271570a_100011218925_100000738268 [1,1,0,0,0,0|2,0,0]=4 2323 B15R2.1221 CC(C)c1ccccc1c2ccsc2 271570a_100011934443_100011218076 [1,1,0,0,0,0|2,0,0]=4 2324 B15R2.1221 CC(C)c1ccccc1c2ccsn2 271570a_100011218925_100009818082 [1,1,0,0,0,0|2,0,0]=4 2325 B15R2.1221 CC(C)c1ccccc1c2cnco2 271570a_100011218925_100020591547 [1,1,0,0,0,0|1,1,0]=4 2326 B15R2.1221 CC(C)c1ccccc1c2cncs2 271570a_100010231675_100011218076 [1,1,0,0,0,0|1,0,0]=3 2327 B15R2.1221 CC(C)c1ccccc1c2cncs2 271570a_100011218925_100011934649 [1,1,0,0,0,0|1,0,0]=3 2328 B15R2.1221 CC(C)c1ccccc1c2cscn2 271570a_100011218925_100000751502 [1,1,0,0,0,0|2,0,0]=4 2329 B15R2.1221 CC(C)c1ccccc1c2ncc[nH]2 271570a_100011218925_100025796157 [1,1,0,0,0,0|2,0,0]=4 2330 B15R2.1221 CC(C)c1ccccc1c2ncc[nH]2 271570a_100016988920_100011218076 [1,1,0,0,0,0|2,0,0]=4 2331 B15R2.1221 CC(C)c1ccccc1c2ncco2 271570a_100011218925_100011787736 [1,1,0,0,0,0|1,1,0]=4 2332 B15R2.1221 CC(C)c1ccccc1c2nccs2 271570a_100011218925_100000211983 [1,1,0,0,0,0|1,0,0]=3 2333 B15R2.1221 CC(C)c1ccccc1c2ncns2 271570a_100011218925_100000693119 [1,1,0,0,0,0|2,0,0]=4 2334 B15R2.1221 CC(C)c1ccccc1c2nncs2 271570a_100011218925_100000739804 [1,1,0,0,0,0|2,0,0]=4 2335 B15R2.1221 CC(C)c1cccnc1c2ccco2 271570a_100000750936_200010382935 [1,1,0,0,0,0|1,1,0]=4 2336 B15R2.1221 CC(C)c1cccnc1c2cccs2 271570a_100000742291_200010382935 [1,1,0,0,0,0|1,0,0]=3 2337 B15R2.1221 CC(C)c1cccnc1c2cncs2 271570a_100010231675_200010382935 [1,1,0,0,0,0|2,0,0]=4 2338 B15R2.1221 CC(C)c1ncncc1c2cccs2 271570a_100000742291_100009816988 [1,1,0,0,0,0|2,0,0]=4 2339 B15R2.1221 CC(N)c1ccccc1c2cc[nH]c2 271570a_100000102155_100000181357 [1,1,0,0,0,0|2,0,0]=4 2340 B15R2.1221 CC(N)c1ccccc1c2cc[nH]n2 271570a_100000062414_100000181357 [1,1,0,0,0,0|2,0,0]=4 2341 B15R2.1221 CC(N)c1ccccc1c2ccco2 271570a_100000750936_100000181357 [1,1,0,0,0,0|0,1,0]=3 2342 B15R2.1221 CC(N)c1ccccc1c2cccs2 271570a_100000742291_100000181357 [1,1,0,0,0,0|0,0,0]=2 2343 B15R2.1221 CC(N)c1ccccc1c2ccoc2 271570a_100011218838_100000181357 [1,1,0,0,0,0|2,0,0]=4 2344 B15R2.1221 CC(N)c1ccccc1c2ccsc2 271570a_100011934443_100000181357 [1,1,0,0,0,0|2,0,0]=4 2345 B15R2.1221 CC(N)c1ccccc1c2cncs2 271570a_100010231675_100000181357 [1,1,0,0,0,0|1,0,0]=3 2346 B15R2.1221 CC(N)c1ccccc1c2ncc[nH]2 271570a_100016988920_100000181357 [1,1,0,0,0,0|2,0,0]=4 2347 B15R2.1221 CC(N)c1ncccc1c2ccco2 271570a_100000750936_100159271932 [1,1,0,0,0,0|1,1,0]=4 2348 B15R2.1221 CC(N)c1ncccc1c2cccs2 271570a_100000742291_100159271932 [1,1,0,0,0,0|1,0,0]=3 2349 B15R2.1221 CC(N)c1ncccc1c2cncs2 271570a_100010231675_100159271932 [1,1,0,0,0,0|2,0,0]=4 2350 B15R2.1221 CC(O)c1ccccc1c2cc[nH]c2 271570a_100000102155_100000702211 [1,1,0,0,0,0|2,0,0]=4 2351 B15R2.1221 CC(O)c1ccccc1c2cc[nH]n2 271570a_100000062414_100000702211 [1,1,0,0,0,0|2,0,0]=4 2352 B15R2.1221 CC(O)c1ccccc1c2ccco2 271570a_100000750936_100000702211 [1,1,0,0,0,0|0,1,0]=3 2353 B15R2.1221 CC(O)c1ccccc1c2cccs2 271570a_100000742291_100000702211 [1,1,0,0,0,0|0,0,0]=2 2354 B15R2.1221 CC(O)c1ccccc1c2ccoc2 271570a_100011218838_100000702211 [1,1,0,0,0,0|2,0,0]=4 2355 B15R2.1221 CC(O)c1ccccc1c2ccsc2 271570a_100011934443_100000702211 [1,1,0,0,0,0|2,0,0]=4 2356 B15R2.1221 CC(O)c1ccccc1c2cncs2 271570a_100010231675_100000702211 [1,1,0,0,0,0|1,0,0]=3 2357 B15R2.1221 CC(O)c1ccccc1c2ncc[nH]2 271570a_100016988920_100000702211 [1,1,0,0,0,0|2,0,0]=4 2358 B15R2.1221 CC(O)c1cccnc1c2ccco2 271570a_100000750936_100009865335 [1,1,0,0,0,0|1,1,0]=4 2359 B15R2.1221 CC(O)c1cccnc1c2cccs2 271570a_100000742291_100009865335 [1,1,0,0,0,0|1,0,0]=3 2360 B15R2.1221 CC(O)c1cccnc1c2cncs2 271570a_100010231675_100009865335 [1,1,0,0,0,0|2,0,0]=4 2361 B15R2.1221 CN(C)c1ccccc1c2c[nH]cn2 271570a_100000698014_100000756875 [1,1,0,0,0,0|2,0,0]=4 2362 B15R2.1221 CN(C)c1ccccc1c2cc[nH]c2 271570a_100000102155_100011290883 [1,1,0,0,0,0|2,0,0]=4 2363 B15R2.1221 CN(C)c1ccccc1c2cc[nH]n2 271570a_100000062414_100011290883 [1,1,0,0,0,0|2,0,0]=4 2364 B15R2.1221 CN(C)c1ccccc1c2cc[nH]n2 271570a_100000698014_100000062575 [1,1,0,0,0,0|2,0,0]=4 2365 B15R2.1221 CN(C)c1ccccc1c2ccco2 271570a_100000698014_100009814098 [1,1,0,0,0,0|0,1,0]=3 2366 B15R2.1221 CN(C)c1ccccc1c2ccco2 271570a_100000750936_100011290883 [1,1,0,0,0,0|0,1,0]=3 2367 B15R2.1221 CN(C)c1ccccc1c2cccs2 271570a_100000698014_100011215356 [1,1,0,0,0,0|0,0,0]=2 2368 B15R2.1221 CN(C)c1ccccc1c2cccs2 271570a_100000742291_100011290883 [1,1,0,0,0,0|0,0,0]=2 2369 B15R2.1221 CN(C)c1ccccc1c2ccoc2 271570a_100000698014_100011215275 [1,1,0,0,0,0|2,0,0]=4 2370 B15R2.1221 CN(C)c1ccccc1c2ccoc2 271570a_100011218838_100011290883 [1,1,0,0,0,0|2,0,0]=4 2371 B15R2.1221 CN(C)c1ccccc1c2ccsc2 271570a_100000698014_100000738268 [1,1,0,0,0,0|2,0,0]=4 2372 B15R2.1221 CN(C)c1ccccc1c2ccsc2 271570a_100011934443_100011290883 [1,1,0,0,0,0|2,0,0]=4 2373 B15R2.1221 CN(C)c1ccccc1c2ccsn2 271570a_100000698014_100009818082 [1,1,0,0,0,0|2,0,0]=4 2374 B15R2.1221 CN(C)c1ccccc1c2cnco2 271570a_100000698014_100020591547 [1,1,0,0,0,0|1,1,0]=4 2375 B15R2.1221 CN(C)c1ccccc1c2cncs2 271570a_100000698014_100011934649 [1,1,0,0,0,0|1,0,0]=3 2376 B15R2.1221 CN(C)c1ccccc1c2cncs2 271570a_100010231675_100011290883 [1,1,0,0,0,0|1,0,0]=3 2377 B15R2.1221 CN(C)c1ccccc1c2cscn2 271570a_100000698014_100000751502 [1,1,0,0,0,0|2,0,0]=4 2378 B15R2.1221 CN(C)c1ccccc1c2ncc[nH]2 271570a_100000698014_100025796157 [1,1,0,0,0,0|2,0,0]=4 2379 B15R2.1221 CN(C)c1ccccc1c2ncc[nH]2 271570a_100016988920_100011290883 [1,1,0,0,0,0|2,0,0]=4 2380 B15R2.1221 CN(C)c1ccccc1c2ncco2 271570a_100000698014_100011787736 [1,1,0,0,0,0|1,1,0]=4 2381 B15R2.1221 CN(C)c1ccccc1c2nccs2 271570a_100000698014_100000211983 [1,1,0,0,0,0|1,0,0]=3 2382 B15R2.1221 CN(C)c1ccccc1c2ncns2 271570a_100000698014_100000693119 [1,1,0,0,0,0|2,0,0]=4 2383 B15R2.1221 CN(C)c1ccccc1c2nncs2 271570a_100000698014_100000739804 [1,1,0,0,0,0|2,0,0]=4 2384 B15R2.1221 CN(C)c1ccncc1c2ccco2 271570a_100000750936_100012355995 [1,1,0,0,0,0|1,1,0]=4 2385 B15R2.1221 CN(C)c1ccncc1c2cccs2 271570a_100000742291_100012355995 [1,1,0,0,0,0|1,0,0]=3 2386 B15R2.1221 CN(C)c1ccncc1c2cncs2 271570a_100010231675_100012355995 [1,1,0,0,0,0|2,0,0]=4 2387 B15R2.1221 CN(C)c1ncccc1c2ccco2 271570a_100000750936_100011465059 [1,1,0,0,0,0|1,1,0]=4 2388 B15R2.1221 CN(C)c1ncccc1c2cccs2 271570a_100000742291_100011465059 [1,1,0,0,0,0|1,0,0]=3 2389 B15R2.1221 CN(C)c1ncccc1c2cncs2 271570a_100010231675_100011465059 [1,1,0,0,0,0|2,0,0]=4 2390 B15R2.1221 CN(C)c1nccnc1c2cccs2 271570a_100000742291_100000703087 [1,1,0,0,0,0|2,0,0]=4 2391 B15R2.1221 CS(=O)c1ccccc1c2ccco2 271570a_100000040274_100009814098 [1,1,0,0,0,0|1,1,0]=4 2392 B15R2.1221 CS(=O)c1ccccc1c2ccco2 271570a_100000750936_100000734199 [1,1,0,0,0,0|1,1,0]=4 2393 B15R2.1221 CS(=O)c1ccccc1c2cccs2 271570a_100000040274_100011215356 [1,1,0,0,0,0|1,0,0]=3 2394 B15R2.1221 CS(=O)c1ccccc1c2cccs2 271570a_100000742291_100000734199 [1,1,0,0,0,0|1,0,0]=3 2395 B15R2.1221 CS(=O)c1ccccc1c2cncs2 271570a_100000040274_100011934649 [1,1,0,0,0,0|2,0,0]=4 2396 B15R2.1221 CS(=O)c1ccccc1c2cncs2 271570a_100010231675_100000734199 [1,1,0,0,0,0|2,0,0]=4 2397 B15R2.1221 CS(=O)c1ccccc1c2nccs2 271570a_100000040274_100000211983 [1,1,0,0,0,0|2,0,0]=4 2398 B15R2.1221 C[C@H](O)c1ncccc1c2ccco2 271570a_100000750936_100013325542 [1,1,0,0,0,0|1,1,0]=4 2399 B15R2.1221 C[C@H](O)c1ncccc1c2cccs2 271570a_100000742291_100013325542 [1,1,0,0,0,0|1,0,0]=3 2400 B15R2.1221 C[C@H](O)c1ncccc1c2cncs2 271570a_100010231675_100013325542 [1,1,0,0,0,0|2,0,0]=4 2401 B15R2.1221 FC(F)c1ccccc1c2ccco2 271570a_100000750936_100010169824 [1,1,0,0,0,0|1,1,0]=4 2402 B15R2.1221 FC(F)c1ccccc1c2cccs2 271570a_100000742291_100010169824 [1,1,0,0,0,0|1,0,0]=3 2403 B15R2.1221 FC(F)c1ccccc1c2cncs2 271570a_100010231675_100010169824 [1,1,0,0,0,0|2,0,0]=4 2404 B15R2.1221 FC(F)c1cccnc1c2cccs2 271570a_100000742291_100010136063 [1,1,0,0,0,0|2,0,0]=4 2405 B15R2.1221 FC(F)c1ncccc1c2cccs2 271570a_100000742291_100010079810 [1,1,0,0,0,0|2,0,0]=4 2406 B15R2.1221 NC(=O)c1ccccc1c2ccco2 271570a_100000041535_100009814098 [1,1,0,0,0,0|0,1,1]=4 2407 B15R2.1221 NC(=O)c1ccccc1c2ccco2 271570a_100000750936_100000162227 [1,1,0,0,0,0|0,1,1]=4 2408 B15R2.1221 NC(=O)c1ccccc1c2cccs2 271570a_100000041535_100011215356 [1,1,0,0,0,0|0,0,1]=3 2409 B15R2.1221 NC(=O)c1ccccc1c2cccs2 271570a_100000742291_100000162227 [1,1,0,0,0,0|0,0,1]=3 2410 B15R2.1221 NC(=O)c1ccccc1c2cncs2 271570a_100000041535_100011934649 [1,1,0,0,0,0|1,0,1]=4 2411 B15R2.1221 NC(=O)c1ccccc1c2cncs2 271570a_100010231675_100000162227 [1,1,0,0,0,0|1,0,1]=4 2412 B15R2.1221 NC(=O)c1ccccc1c2nccs2 271570a_100000041535_100000211983 [1,1,0,0,0,0|1,0,1]=4 2413 B15R2.1221 NC(=O)c1cccnc1c2cccs2 271570a_100000742291_100000162199 [1,1,0,0,0,0|1,0,1]=4 2414 B15R2.1221 NC(=O)c1ccncc1c2cccs2 271570a_100000742291_100010205435 [1,1,0,0,0,0|1,0,1]=4 2415 B15R2.1221 NC(=O)c1cnccc1c2cccs2 271570a_100000742291_100000697804 [1,1,0,0,0,0|1,0,1]=4 2416 B15R2.1221 NC(=O)c1ncccc1c2cccs2 271570a_100000742291_200012359670 [1,1,0,0,0,0|1,0,1]=4 2417 B15R2.1221 O=[N+]([O-])c1ccccc1c2cccs2 271570a_100000043317_100011215356 [1,1,0,0,0,0|1,0,1]=4 2418 B15R2.1221 OB(O)c1ccccc1c2cccs2 271570a_100000742291_100000693059 [1,1,0,0,0,0|2,0,0]=4 2419 B15R2.1221 [13CH3]C(=O)c1ccccc1c2ccco2 1458a_100011217322_200025704644 [1,1,0,0,0,0|0,1,1]=4 2420 B15R2.1221 [13CH3]C(=O)c1ccccc1c2cccs2 1458a_100011191954_200025704644 [1,1,0,0,0,0|0,0,1]=3 2421 B15R2.2189 C#Cc1ccccc1c2cc(cs2)C 271570a_100000099761_100009876951 [1,1,0,0,0,0|0,0,2]=4 2422 B15R2.2189 C#Cc1ccccc1c2ccc(s2)Br 271570a_100000099761_100010197418 [1,1,0,0,0,0|0,0,2]=4 2423 B15R2.2189 C#Cc1ccccc1c2ccc(s2)C 271570a_100000099761_100000761539 [1,1,0,0,0,0|0,0,2]=4 2424 B15R2.2189 C=Cc1ccccc1c2cc(cs2)C 271570a_100000037480_100009876951 [1,1,0,0,0,0|0,0,2]=4 2425 B15R2.2189 C=Cc1ccccc1c2ccc(s2)Br 271570a_100000037480_100010197418 [1,1,0,0,0,0|0,0,2]=4 2426 B15R2.2189 C=Cc1ccccc1c2ccc(s2)C 271570a_100000037480_100000761539 [1,1,0,0,0,0|0,0,2]=4 2427 B15R2.2189 CCc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100011215823 [1,1,0,0,0,0|1,0,1]=4 2428 B15R2.2189 CCc1ccccc1c2c[nH]c(n2)C 271570a_100011216252_100009814057 [1,1,0,0,0,0|2,0,0]=4 2429 B15R2.2189 CCc1ccccc1c2cc([nH]n2)C 271570a_100009872134_100011215823 [1,1,0,0,0,0|2,0,0]=4 2430 B15R2.2189 CCc1ccccc1c2cc([nH]n2)C 271570a_100011216252_100015199547 [1,1,0,0,0,0|2,0,0]=4 2431 B15R2.2189 CCc1ccccc1c2cc([nH]n2)N 271570a_100011216252_100009822546 [1,1,0,0,0,0|2,0,0]=4 2432 B15R2.2189 CCc1ccccc1c2cc(cs2)C 271570a_100000038307_100011215823 [1,1,0,0,0,0|0,0,0]=2 2433 B15R2.2189 CCc1ccccc1c2cc(cs2)C 271570a_100011216252_100009876951 [1,1,0,0,0,0|0,0,0]=2 2434 B15R2.2189 CCc1ccccc1c2cc(n[nH]2)Br 271570a_100011216252_100160470719 [1,1,0,0,0,0|2,0,0]=4 2435 B15R2.2189 CCc1ccccc1c2cc(ns2)C 271570a_100011216252_100009815735 [1,1,0,0,0,0|1,0,0]=3 2436 B15R2.2189 CCc1ccccc1c2ccc(o2)C 271570a_100000061910_100011215823 [1,1,0,0,0,0|0,1,0]=3 2437 B15R2.2189 CCc1ccccc1c2ccc(s2)Br 271570a_100011216252_100010197418 [1,1,0,0,0,0|0,0,0]=2 2438 B15R2.2189 CCc1ccccc1c2ccc(s2)C 271570a_100011216252_100000761539 [1,1,0,0,0,0|0,0,0]=2 2439 B15R2.2189 CCc1ccccc1c2ccc(s2)C 271570a_100011934456_100011215823 [1,1,0,0,0,0|0,0,0]=2 2440 B15R2.2189 CCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100011215823 [1,1,0,0,0,0|0,0,0]=2 2441 B15R2.2189 CCc1ccccc1c2ccn(c2)C 271570a_100010172022_100011215823 [1,1,0,0,0,0|2,0,0]=4 2442 B15R2.2189 CCc1ccccc1c2ccn(n2)C 271570a_100011216252_100000752436 [1,1,0,0,0,0|2,0,0]=4 2443 B15R2.2189 CCc1ccccc1c2ccn(n2)C 271570a_100012348833_100011215823 [1,1,0,0,0,0|2,0,0]=4 2444 B15R2.2189 CCc1ccccc1c2cn(cn2)C 271570a_100011216252_100000040308 [1,1,0,0,0,0|2,0,0]=4 2445 B15R2.2189 CCc1ccccc1c2cnc(s2)C 271570a_100000696845_100011215823 [1,1,0,0,0,0|1,0,0]=3 2446 B15R2.2189 CCc1ccccc1c2cnc(s2)C 271570a_100011216252_100000764884 [1,1,0,0,0,0|1,0,0]=3 2447 B15R2.2189 CCc1ccccc1c2csc(c2)C 271570a_100000699828_100011215823 [1,1,0,0,0,0|2,0,0]=4 2448 B15R2.2189 CCc1ccccc1c2csc(c2)C 271570a_100011216252_100000759034 [1,1,0,0,0,0|2,0,0]=4 2449 B15R2.2189 CCc1ccccc1c2csc(n2)C 271570a_100011216252_100011934587 [1,1,0,0,0,0|2,0,0]=4 2450 B15R2.2189 CCc1ccccc1c2csc(n2)N 271570a_100011216252_100011998049 [1,1,0,0,0,0|2,0,0]=4 2451 B15R2.2189 CCc1ccccc1c2nc(c[nH]2)C 271570a_100011216252_100161115468 [1,1,0,0,0,0|2,0,0]=4 2452 B15R2.2189 CCc1ccccc1c2nc(cs2)Br 271570a_100011216252_200016082925 [1,1,0,0,0,0|1,0,0]=3 2453 B15R2.2189 CCc1ccccc1c2nc(cs2)C 271570a_100011216252_100011291629 [1,1,0,0,0,0|1,0,0]=3 2454 B15R2.2189 CCc1ccccc1c2nc(cs2)N 271570a_100011216252_200015188442 [1,1,0,0,0,0|1,0,0]=3 2455 B15R2.2189 CCc1ccccc1c2nc(ns2)C 271570a_100011216252_100000709739 [1,1,0,0,0,0|2,0,0]=4 2456 B15R2.2189 CCc1ccccc1c2ncc(s2)C 271570a_100011216252_100000690809 [1,1,0,0,0,0|1,0,0]=3 2457 B15R2.2189 CCc1ccccc1c2nnc(s2)C 271570a_100011216252_100000686958 [1,1,0,0,0,0|2,0,0]=4 2458 B15R2.2189 CCc1ccccc1c2nnc(s2)N 271570a_100011216252_100000738278 [1,1,0,0,0,0|2,0,0]=4 2459 B15R2.2189 CCc1ccncc1c2cc(cs2)C 271570a_100000038307_100009819861 [1,1,0,0,0,0|1,0,0]=3 2460 B15R2.2189 CCc1ccncc1c2ccc(o2)C 271570a_100000061910_100009819861 [1,1,0,0,0,0|1,1,0]=4 2461 B15R2.2189 CCc1ccncc1c2ccc(s2)C 271570a_100011934456_100009819861 [1,1,0,0,0,0|1,0,0]=3 2462 B15R2.2189 CCc1ccncc1c2ccc(s2)Cl 271570a_100000708867_100009819861 [1,1,0,0,0,0|1,0,0]=3 2463 B15R2.2189 CCc1ccncc1c2cnc(s2)C 271570a_100000696845_100009819861 [1,1,0,0,0,0|2,0,0]=4 2464 B15R2.2189 CCc1cnccc1c2cc(cs2)C 271570a_100000038307_100025704421 [1,1,0,0,0,0|1,0,0]=3 2465 B15R2.2189 CCc1cnccc1c2ccc(o2)C 271570a_100000061910_100025704421 [1,1,0,0,0,0|1,1,0]=4 2466 B15R2.2189 CCc1cnccc1c2ccc(s2)C 271570a_100011934456_100025704421 [1,1,0,0,0,0|1,0,0]=3 2467 B15R2.2189 CCc1cnccc1c2ccc(s2)Cl 271570a_100000708867_100025704421 [1,1,0,0,0,0|1,0,0]=3 2468 B15R2.2189 CCc1cnccc1c2cnc(s2)C 271570a_100000696845_100025704421 [1,1,0,0,0,0|2,0,0]=4 2469 B15R2.2189 CCc1cncnc1c2cc(cs2)C 271570a_100000038307_200000100055 [1,1,0,0,0,0|2,0,0]=4 2470 B15R2.2189 CCc1cncnc1c2ccc(s2)C 271570a_100011934456_200000100055 [1,1,0,0,0,0|2,0,0]=4 2471 B15R2.2189 CCc1cncnc1c2ccc(s2)Cl 271570a_100000708867_200000100055 [1,1,0,0,0,0|2,0,0]=4 2472 B15R2.2189 CCc1ncccc1c2cc(cs2)C 271570a_100000038307_100009877225 [1,1,0,0,0,0|1,0,0]=3 2473 B15R2.2189 CCc1ncccc1c2ccc(o2)C 271570a_100000061910_100009877225 [1,1,0,0,0,0|1,1,0]=4 2474 B15R2.2189 CCc1ncccc1c2ccc(s2)C 271570a_100011934456_100009877225 [1,1,0,0,0,0|1,0,0]=3 2475 B15R2.2189 CCc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100009877225 [1,1,0,0,0,0|1,0,0]=3 2476 B15R2.2189 CCc1ncccc1c2cnc(s2)C 271570a_100000696845_100009877225 [1,1,0,0,0,0|2,0,0]=4 2477 B15R2.2189 CCc1nccnc1c2cc(cs2)C 271570a_100000038307_100011995844 [1,1,0,0,0,0|2,0,0]=4 2478 B15R2.2189 CCc1nccnc1c2ccc(s2)C 271570a_100011934456_100011995844 [1,1,0,0,0,0|2,0,0]=4 2479 B15R2.2189 CCc1nccnc1c2ccc(s2)Cl 271570a_100000708867_100011995844 [1,1,0,0,0,0|2,0,0]=4 2480 B15R2.2189 CCc1ncncc1c2cc(cs2)C 271570a_100000038307_100009816992 [1,1,0,0,0,0|2,0,0]=4 2481 B15R2.2189 CCc1ncncc1c2ccc(s2)C 271570a_100011934456_100009816992 [1,1,0,0,0,0|2,0,0]=4 2482 B15R2.2189 CCc1ncncc1c2ccc(s2)Cl 271570a_100000708867_100009816992 [1,1,0,0,0,0|2,0,0]=4 2483 B15R2.2189 CNc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100020606079 [1,1,0,0,0,0|1,0,1]=4 2484 B15R2.2189 CNc1ccccc1c2cc([nH]n2)C 271570a_100009872134_100020606079 [1,1,0,0,0,0|2,0,0]=4 2485 B15R2.2189 CNc1ccccc1c2cc(cs2)C 271570a_100000038307_100020606079 [1,1,0,0,0,0|0,0,0]=2 2486 B15R2.2189 CNc1ccccc1c2ccc(o2)C 271570a_100000061910_100020606079 [1,1,0,0,0,0|0,1,0]=3 2487 B15R2.2189 CNc1ccccc1c2ccc(o2)C 34a_100015293392_200000210301 [1,1,0,0,0,0|0,1,0]=3 2488 B15R2.2189 CNc1ccccc1c2ccc(o2)C 7a_100015293392_200000210301 [1,1,0,0,0,0|0,1,0]=3 2489 B15R2.2189 CNc1ccccc1c2ccc(s2)C 271570a_100011934456_100020606079 [1,1,0,0,0,0|0,0,0]=2 2490 B15R2.2189 CNc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100020606079 [1,1,0,0,0,0|0,0,0]=2 2491 B15R2.2189 CNc1ccccc1c2ccn(c2)C 271570a_100010172022_100020606079 [1,1,0,0,0,0|2,0,0]=4 2492 B15R2.2189 CNc1ccccc1c2ccn(n2)C 271570a_100012348833_100020606079 [1,1,0,0,0,0|2,0,0]=4 2493 B15R2.2189 CNc1ccccc1c2cnc(s2)C 271570a_100000696845_100020606079 [1,1,0,0,0,0|1,0,0]=3 2494 B15R2.2189 CNc1ccccc1c2csc(c2)C 271570a_100000699828_100020606079 [1,1,0,0,0,0|2,0,0]=4 2495 B15R2.2189 CNc1cccnc1c2cc(cs2)C 271570a_100000038307_200011806188 [1,1,0,0,0,0|1,0,0]=3 2496 B15R2.2189 CNc1cccnc1c2ccc(o2)C 271570a_100000061910_200011806188 [1,1,0,0,0,0|1,1,0]=4 2497 B15R2.2189 CNc1cccnc1c2ccc(s2)C 271570a_100011934456_200011806188 [1,1,0,0,0,0|1,0,0]=3 2498 B15R2.2189 CNc1cccnc1c2ccc(s2)Cl 271570a_100000708867_200011806188 [1,1,0,0,0,0|1,0,0]=3 2499 B15R2.2189 CNc1cccnc1c2cnc(s2)C 271570a_100000696845_200011806188 [1,1,0,0,0,0|2,0,0]=4 2500 B15R2.2189 CNc1ccncc1c2cc(cs2)C 271570a_100000038307_100010069531 [1,1,0,0,0,0|1,0,0]=3 2501 B15R2.2189 CNc1ccncc1c2ccc(o2)C 271570a_100000061910_100010069531 [1,1,0,0,0,0|1,1,0]=4 2502 B15R2.2189 CNc1ccncc1c2ccc(s2)C 271570a_100011934456_100010069531 [1,1,0,0,0,0|1,0,0]=3 2503 B15R2.2189 CNc1ccncc1c2ccc(s2)Cl 271570a_100000708867_100010069531 [1,1,0,0,0,0|1,0,0]=3 2504 B15R2.2189 CNc1ccncc1c2cnc(s2)C 271570a_100000696845_100010069531 [1,1,0,0,0,0|2,0,0]=4 2505 B15R2.2189 CNc1ncccc1c2cc(cs2)C 271570a_100000038307_100000700899 [1,1,0,0,0,0|1,0,0]=3 2506 B15R2.2189 CNc1ncccc1c2ccc(o2)C 271570a_100000061910_100000700899 [1,1,0,0,0,0|1,1,0]=4 2507 B15R2.2189 CNc1ncccc1c2ccc(s2)C 271570a_100011934456_100000700899 [1,1,0,0,0,0|1,0,0]=3 2508 B15R2.2189 CNc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100000700899 [1,1,0,0,0,0|1,0,0]=3 2509 B15R2.2189 CNc1ncccc1c2cnc(s2)C 271570a_100000696845_100000700899 [1,1,0,0,0,0|2,0,0]=4 2510 B15R2.2189 CNc1nccnc1c2cc(cs2)C 271570a_100000038307_100011529439 [1,1,0,0,0,0|2,0,0]=4 2511 B15R2.2189 CNc1nccnc1c2ccc(s2)C 271570a_100011934456_100011529439 [1,1,0,0,0,0|2,0,0]=4 2512 B15R2.2189 CNc1nccnc1c2ccc(s2)Cl 271570a_100000708867_100011529439 [1,1,0,0,0,0|2,0,0]=4 2513 B15R2.2189 CNc1ncncc1c2cc(cs2)C 271570a_100000038307_200012180720 [1,1,0,0,0,0|2,0,0]=4 2514 B15R2.2189 CNc1ncncc1c2ccc(s2)C 271570a_100011934456_200012180720 [1,1,0,0,0,0|2,0,0]=4 2515 B15R2.2189 CNc1ncncc1c2ccc(s2)Cl 271570a_100000708867_200012180720 [1,1,0,0,0,0|2,0,0]=4 2516 B15R2.2189 COc1ccccc1c2cc(cs2)C 271570a_100000038307_100000174000 [1,1,0,0,0,0|1,0,0]=3 2517 B15R2.2189 COc1ccccc1c2cc(cs2)C 271570a_100000756652_100009876951 [1,1,0,0,0,0|1,0,0]=3 2518 B15R2.2189 COc1ccccc1c2cc(ns2)C 271570a_100000756652_100009815735 [1,1,0,0,0,0|2,0,0]=4 2519 B15R2.2189 COc1ccccc1c2ccc(o2)C 271570a_100000061910_100000174000 [1,1,0,0,0,0|1,1,0]=4 2520 B15R2.2189 COc1ccccc1c2ccc(s2)Br 271570a_100000756652_100010197418 [1,1,0,0,0,0|1,0,0]=3 2521 B15R2.2189 COc1ccccc1c2ccc(s2)C 271570a_100000756652_100000761539 [1,1,0,0,0,0|1,0,0]=3 2522 B15R2.2189 COc1ccccc1c2ccc(s2)C 271570a_100011934456_100000174000 [1,1,0,0,0,0|1,0,0]=3 2523 B15R2.2189 COc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000174000 [1,1,0,0,0,0|1,0,0]=3 2524 B15R2.2189 COc1ccccc1c2cnc(s2)C 271570a_100000696845_100000174000 [1,1,0,0,0,0|2,0,0]=4 2525 B15R2.2189 COc1ccccc1c2cnc(s2)C 271570a_100000756652_100000764884 [1,1,0,0,0,0|2,0,0]=4 2526 B15R2.2189 COc1ccccc1c2nc(cs2)Br 271570a_100000756652_200016082925 [1,1,0,0,0,0|2,0,0]=4 2527 B15R2.2189 COc1ccccc1c2nc(cs2)C 271570a_100000756652_100011291629 [1,1,0,0,0,0|2,0,0]=4 2528 B15R2.2189 COc1ccccc1c2nc(cs2)N 271570a_100000756652_200015188442 [1,1,0,0,0,0|2,0,0]=4 2529 B15R2.2189 COc1ccccc1c2ncc(s2)C 271570a_100000756652_100000690809 [1,1,0,0,0,0|2,0,0]=4 2530 B15R2.2189 COc1cccnc1c2cc(cs2)C 271570a_100000038307_100000690851 [1,1,0,0,0,0|2,0,0]=4 2531 B15R2.2189 COc1cccnc1c2ccc(s2)C 271570a_100011934456_100000690851 [1,1,0,0,0,0|2,0,0]=4 2532 B15R2.2189 COc1cccnc1c2ccc(s2)Cl 271570a_100000708867_100000690851 [1,1,0,0,0,0|2,0,0]=4 2533 B15R2.2189 COc1ccncc1c2cc(cs2)C 271570a_100000038307_100011997281 [1,1,0,0,0,0|2,0,0]=4 2534 B15R2.2189 COc1ccncc1c2cc(cs2)C 271570a_100011830476_100009876951 [1,1,0,0,0,0|2,0,0]=4 2535 B15R2.2189 COc1ccncc1c2ccc(s2)Br 271570a_100011830476_100010197418 [1,1,0,0,0,0|2,0,0]=4 2536 B15R2.2189 COc1ccncc1c2ccc(s2)C 271570a_100011830476_100000761539 [1,1,0,0,0,0|2,0,0]=4 2537 B15R2.2189 COc1ccncc1c2ccc(s2)C 271570a_100011934456_100011997281 [1,1,0,0,0,0|2,0,0]=4 2538 B15R2.2189 COc1ccncc1c2ccc(s2)Cl 271570a_100000708867_100011997281 [1,1,0,0,0,0|2,0,0]=4 2539 B15R2.2189 COc1cnccc1c2cc(cs2)C 271570a_100000038307_100016988167 [1,1,0,0,0,0|2,0,0]=4 2540 B15R2.2189 COc1cnccc1c2cc(cs2)C 271570a_100000084644_100009876951 [1,1,0,0,0,0|2,0,0]=4 2541 B15R2.2189 COc1cnccc1c2ccc(s2)Br 271570a_100000084644_100010197418 [1,1,0,0,0,0|2,0,0]=4 2542 B15R2.2189 COc1cnccc1c2ccc(s2)C 271570a_100000084644_100000761539 [1,1,0,0,0,0|2,0,0]=4 2543 B15R2.2189 COc1cnccc1c2ccc(s2)C 271570a_100011934456_100016988167 [1,1,0,0,0,0|2,0,0]=4 2544 B15R2.2189 COc1cnccc1c2ccc(s2)Cl 271570a_100000708867_100016988167 [1,1,0,0,0,0|2,0,0]=4 2545 B15R2.2189 COc1ncccc1c2cc(cs2)C 271570a_100000038307_100000047025 [1,1,0,0,0,0|2,0,0]=4 2546 B15R2.2189 COc1ncccc1c2cc(cs2)C 271570a_100011290909_100009876951 [1,1,0,0,0,0|2,0,0]=4 2547 B15R2.2189 COc1ncccc1c2ccc(s2)Br 271570a_100011290909_100010197418 [1,1,0,0,0,0|2,0,0]=4 2548 B15R2.2189 COc1ncccc1c2ccc(s2)C 271570a_100011290909_100000761539 [1,1,0,0,0,0|2,0,0]=4 2549 B15R2.2189 COc1ncccc1c2ccc(s2)C 271570a_100011934456_100000047025 [1,1,0,0,0,0|2,0,0]=4 2550 B15R2.2189 COc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100000047025 [1,1,0,0,0,0|2,0,0]=4 2551 B15R2.2189 CSc1ccccc1c2cc(cs2)C 271570a_100000038307_100011217816 [1,1,0,0,0,0|1,0,0]=3 2552 B15R2.2189 CSc1ccccc1c2cc(cs2)C 271570a_100011218165_100009876951 [1,1,0,0,0,0|1,0,0]=3 2553 B15R2.2189 CSc1ccccc1c2cc(ns2)C 271570a_100011218165_100009815735 [1,1,0,0,0,0|2,0,0]=4 2554 B15R2.2189 CSc1ccccc1c2ccc(o2)C 271570a_100000061910_100011217816 [1,1,0,0,0,0|1,1,0]=4 2555 B15R2.2189 CSc1ccccc1c2ccc(s2)Br 271570a_100011218165_100010197418 [1,1,0,0,0,0|1,0,0]=3 2556 B15R2.2189 CSc1ccccc1c2ccc(s2)C 271570a_100011218165_100000761539 [1,1,0,0,0,0|1,0,0]=3 2557 B15R2.2189 CSc1ccccc1c2ccc(s2)C 271570a_100011934456_100011217816 [1,1,0,0,0,0|1,0,0]=3 2558 B15R2.2189 CSc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100011217816 [1,1,0,0,0,0|1,0,0]=3 2559 B15R2.2189 CSc1ccccc1c2cnc(s2)C 271570a_100000696845_100011217816 [1,1,0,0,0,0|2,0,0]=4 2560 B15R2.2189 CSc1ccccc1c2cnc(s2)C 271570a_100011218165_100000764884 [1,1,0,0,0,0|2,0,0]=4 2561 B15R2.2189 CSc1ccccc1c2nc(cs2)Br 271570a_100011218165_200016082925 [1,1,0,0,0,0|2,0,0]=4 2562 B15R2.2189 CSc1ccccc1c2nc(cs2)C 271570a_100011218165_100011291629 [1,1,0,0,0,0|2,0,0]=4 2563 B15R2.2189 CSc1ccccc1c2nc(cs2)N 271570a_100011218165_200015188442 [1,1,0,0,0,0|2,0,0]=4 2564 B15R2.2189 CSc1ccccc1c2ncc(s2)C 271570a_100011218165_100000690809 [1,1,0,0,0,0|2,0,0]=4 2565 B15R2.2189 CSc1ncccc1c2cc(cs2)C 271570a_100000038307_100011465278 [1,1,0,0,0,0|2,0,0]=4 2566 B15R2.2189 CSc1ncccc1c2ccc(s2)C 271570a_100011934456_100011465278 [1,1,0,0,0,0|2,0,0]=4 2567 B15R2.2189 CSc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100011465278 [1,1,0,0,0,0|2,0,0]=4 2568 B15R2.2189 Cc1c[nH]c(n1)c2ccccc2CN 271570a_100020632975_100161115468 [1,1,0,0,0,0|2,0,0]=4 2569 B15R2.2189 Cc1cc(cs1)c2ccccc2CN 271570a_100000699828_100000689332 [1,1,0,0,0,0|2,0,0]=4 2570 B15R2.2189 Cc1cc(cs1)c2ccccc2CN 271570a_100020632975_100000759034 [1,1,0,0,0,0|2,0,0]=4 2571 B15R2.2189 Cc1cc(n[nH]1)c2ccccc2CN 271570a_100009872134_100000689332 [1,1,0,0,0,0|2,0,0]=4 2572 B15R2.2189 Cc1cc(n[nH]1)c2ccccc2CN 271570a_100020632975_100015199547 [1,1,0,0,0,0|2,0,0]=4 2573 B15R2.2189 Cc1cc(sn1)c2ccccc2CN 271570a_100020632975_100009815735 [1,1,0,0,0,0|1,0,0]=3 2574 B15R2.2189 Cc1cc(sn1)c2ccccc2CO 271570a_100000066922_100009815735 [1,1,0,0,0,0|2,0,0]=4 2575 B15R2.2189 Cc1ccc(o1)c2ccccc2CN 271570a_100000061910_100000689332 [1,1,0,0,0,0|0,1,0]=3 2576 B15R2.2189 Cc1ccc(o1)c2ccccc2CO 271570a_100000061910_100000187465 [1,1,0,0,0,0|1,1,0]=4 2577 B15R2.2189 Cc1ccc(o1)c2ccccc2NN 271570a_100000061910_100000241748 [1,1,0,0,0,0|1,1,0]=4 2578 B15R2.2189 Cc1ccc(o1)c2ccccc2N[13CH3] 34a_100015293392_200025704644 [1,1,0,0,0,0|0,1,0]=3 2579 B15R2.2189 Cc1ccc(o1)c2ccccc2N[13CH3] 7a_100015293392_200025704644 [1,1,0,0,0,0|0,1,0]=3 2580 B15R2.2189 Cc1ccc(o1)c2cccnc2CN 271570a_100000061910_100020591323 [1,1,0,0,0,0|1,1,0]=4 2581 B15R2.2189 Cc1ccc(o1)c2cnccc2CN 271570a_100000061910_100020640021 [1,1,0,0,0,0|1,1,0]=4 2582 B15R2.2189 Cc1ccc(o1)c2ncccc2CN 271570a_100000061910_100015189234 [1,1,0,0,0,0|1,1,0]=4 2583 B15R2.2189 Cc1ccc(s1)c2ccccc2C#N 271570a_100000043008_100000761539 [1,1,0,0,0,0|0,0,2]=4 2584 B15R2.2189 Cc1ccc(s1)c2ccccc2C#N 271570a_100011934456_100000188569 [1,1,0,0,0,0|0,0,2]=4 2585 B15R2.2189 Cc1ccc(s1)c2ccccc2C=O 271570a_100000740022_100000761539 [1,1,0,0,0,0|1,0,1]=4 2586 B15R2.2189 Cc1ccc(s1)c2ccccc2C=O 271570a_100011934456_100000211189 [1,1,0,0,0,0|1,0,1]=4 2587 B15R2.2189 Cc1ccc(s1)c2ccccc2CN 271570a_100011934456_100000689332 [1,1,0,0,0,0|0,0,0]=2 2588 B15R2.2189 Cc1ccc(s1)c2ccccc2CN 271570a_100020632975_100000761539 [1,1,0,0,0,0|0,0,0]=2 2589 B15R2.2189 Cc1ccc(s1)c2ccccc2CO 271570a_100000066922_100000761539 [1,1,0,0,0,0|1,0,0]=3 2590 B15R2.2189 Cc1ccc(s1)c2ccccc2CO 271570a_100011934456_100000187465 [1,1,0,0,0,0|1,0,0]=3 2591 B15R2.2189 Cc1ccc(s1)c2ccccc2NN 271570a_100011934456_100000241748 [1,1,0,0,0,0|1,0,0]=3 2592 B15R2.2189 Cc1ccc(s1)c2cccnc2CN 271570a_100011934456_100020591323 [1,1,0,0,0,0|1,0,0]=3 2593 B15R2.2189 Cc1ccc(s1)c2cccnc2CO 271570a_100011934456_100011996772 [1,1,0,0,0,0|2,0,0]=4 2594 B15R2.2189 Cc1ccc(s1)c2cccnc2NN 271570a_100011934456_100011464834 [1,1,0,0,0,0|2,0,0]=4 2595 B15R2.2189 Cc1ccc(s1)c2ccncc2CO 271570a_100011934456_100000117392 [1,1,0,0,0,0|2,0,0]=4 2596 B15R2.2189 Cc1ccc(s1)c2cnccc2CN 271570a_100011934456_100020640021 [1,1,0,0,0,0|1,0,0]=3 2597 B15R2.2189 Cc1ccc(s1)c2cnccc2CO 271570a_100011934456_100009873359 [1,1,0,0,0,0|2,0,0]=4 2598 B15R2.2189 Cc1ccc(s1)c2cnccc2NN 271570a_100011934456_100013404636 [1,1,0,0,0,0|2,0,0]=4 2599 B15R2.2189 Cc1ccc(s1)c2ncccc2CN 271570a_100011934456_100015189234 [1,1,0,0,0,0|1,0,0]=3 2600 B15R2.2189 Cc1ccc(s1)c2ncccc2CO 271570a_100011934456_100000748726 [1,1,0,0,0,0|2,0,0]=4 2601 B15R2.2189 Cc1ccc(s1)c2nccnc2CN 271570a_100011934456_100000729963 [1,1,0,0,0,0|2,0,0]=4 2602 B15R2.2189 Cc1cnc(s1)c2ccccc2CN 271570a_100020632975_100000690809 [1,1,0,0,0,0|1,0,0]=3 2603 B15R2.2189 Cc1cnc(s1)c2ccccc2CO 271570a_100000066922_100000690809 [1,1,0,0,0,0|2,0,0]=4 2604 B15R2.2189 Cc1csc(c1)c2ccccc2C#N 271570a_100000038307_100000188569 [1,1,0,0,0,0|0,0,2]=4 2605 B15R2.2189 Cc1csc(c1)c2ccccc2C#N 271570a_100000043008_100009876951 [1,1,0,0,0,0|0,0,2]=4 2606 B15R2.2189 Cc1csc(c1)c2ccccc2C=O 271570a_100000038307_100000211189 [1,1,0,0,0,0|1,0,1]=4 2607 B15R2.2189 Cc1csc(c1)c2ccccc2C=O 271570a_100000740022_100009876951 [1,1,0,0,0,0|1,0,1]=4 2608 B15R2.2189 Cc1csc(c1)c2ccccc2CN 271570a_100000038307_100000689332 [1,1,0,0,0,0|0,0,0]=2 2609 B15R2.2189 Cc1csc(c1)c2ccccc2CN 271570a_100020632975_100009876951 [1,1,0,0,0,0|0,0,0]=2 2610 B15R2.2189 Cc1csc(c1)c2ccccc2CO 271570a_100000038307_100000187465 [1,1,0,0,0,0|1,0,0]=3 2611 B15R2.2189 Cc1csc(c1)c2ccccc2CO 271570a_100000066922_100009876951 [1,1,0,0,0,0|1,0,0]=3 2612 B15R2.2189 Cc1csc(c1)c2ccccc2NN 271570a_100000038307_100000241748 [1,1,0,0,0,0|1,0,0]=3 2613 B15R2.2189 Cc1csc(c1)c2cccnc2CN 271570a_100000038307_100020591323 [1,1,0,0,0,0|1,0,0]=3 2614 B15R2.2189 Cc1csc(c1)c2cccnc2CO 271570a_100000038307_100011996772 [1,1,0,0,0,0|2,0,0]=4 2615 B15R2.2189 Cc1csc(c1)c2cccnc2NN 271570a_100000038307_100011464834 [1,1,0,0,0,0|2,0,0]=4 2616 B15R2.2189 Cc1csc(c1)c2ccncc2CO 271570a_100000038307_100000117392 [1,1,0,0,0,0|2,0,0]=4 2617 B15R2.2189 Cc1csc(c1)c2cnccc2CN 271570a_100000038307_100020640021 [1,1,0,0,0,0|1,0,0]=3 2618 B15R2.2189 Cc1csc(c1)c2cnccc2CO 271570a_100000038307_100009873359 [1,1,0,0,0,0|2,0,0]=4 2619 B15R2.2189 Cc1csc(c1)c2cnccc2NN 271570a_100000038307_100013404636 [1,1,0,0,0,0|2,0,0]=4 2620 B15R2.2189 Cc1csc(c1)c2ncccc2CN 271570a_100000038307_100015189234 [1,1,0,0,0,0|1,0,0]=3 2621 B15R2.2189 Cc1csc(c1)c2ncccc2CO 271570a_100000038307_100000748726 [1,1,0,0,0,0|2,0,0]=4 2622 B15R2.2189 Cc1csc(c1)c2nccnc2CN 271570a_100000038307_100000729963 [1,1,0,0,0,0|2,0,0]=4 2623 B15R2.2189 Cc1csc(n1)c2ccccc2CN 271570a_100020632975_100011291629 [1,1,0,0,0,0|1,0,0]=3 2624 B15R2.2189 Cc1csc(n1)c2ccccc2CO 271570a_100000066922_100011291629 [1,1,0,0,0,0|2,0,0]=4 2625 B15R2.2189 Cc1nc(c[nH]1)c2ccccc2CN 271570a_100020632975_100009814057 [1,1,0,0,0,0|2,0,0]=4 2626 B15R2.2189 Cc1nc(cs1)c2ccccc2CN 271570a_100020632975_100011934587 [1,1,0,0,0,0|2,0,0]=4 2627 B15R2.2189 Cc1ncc(s1)c2ccccc2CN 271570a_100000696845_100000689332 [1,1,0,0,0,0|1,0,0]=3 2628 B15R2.2189 Cc1ncc(s1)c2ccccc2CN 271570a_100020632975_100000764884 [1,1,0,0,0,0|1,0,0]=3 2629 B15R2.2189 Cc1ncc(s1)c2ccccc2CO 271570a_100000066922_100000764884 [1,1,0,0,0,0|2,0,0]=4 2630 B15R2.2189 Cc1ncc(s1)c2ccccc2CO 271570a_100000696845_100000187465 [1,1,0,0,0,0|2,0,0]=4 2631 B15R2.2189 Cc1ncc(s1)c2ccccc2NN 271570a_100000696845_100000241748 [1,1,0,0,0,0|2,0,0]=4 2632 B15R2.2189 Cc1ncc(s1)c2cccnc2CN 271570a_100000696845_100020591323 [1,1,0,0,0,0|2,0,0]=4 2633 B15R2.2189 Cc1ncc(s1)c2cnccc2CN 271570a_100000696845_100020640021 [1,1,0,0,0,0|2,0,0]=4 2634 B15R2.2189 Cc1ncc(s1)c2ncccc2CN 271570a_100000696845_100015189234 [1,1,0,0,0,0|2,0,0]=4 2635 B15R2.2189 Cc1nnc(s1)c2ccccc2CN 271570a_100020632975_100000686958 [1,1,0,0,0,0|2,0,0]=4 2636 B15R2.2189 Cc1nsc(n1)c2ccccc2CN 271570a_100020632975_100000709739 [1,1,0,0,0,0|2,0,0]=4 2637 B15R2.2189 Cn1ccc(c1)c2ccccc2CN 271570a_100010172022_100000689332 [1,1,0,0,0,0|2,0,0]=4 2638 B15R2.2189 Cn1ccc(n1)c2ccccc2CN 271570a_100012348833_100000689332 [1,1,0,0,0,0|2,0,0]=4 2639 B15R2.2189 Cn1ccc(n1)c2ccccc2CN 271570a_100020632975_100000752436 [1,1,0,0,0,0|2,0,0]=4 2640 B15R2.2189 Cn1cnc(c1)c2ccccc2CN 271570a_100020632975_100000040308 [1,1,0,0,0,0|2,0,0]=4 2641 B15R2.2189 N#Cc1ccccc1c2ccc(s2)Br 271570a_100000043008_100010197418 [1,1,0,0,0,0|0,0,2]=4 2642 B15R2.2189 N#Cc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000188569 [1,1,0,0,0,0|0,0,2]=4 2643 B15R2.2189 NCc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000689332 [1,1,0,0,0,0|1,0,1]=4 2644 B15R2.2189 NCc1ccccc1c2cc([nH]n2)N 271570a_100020632975_100009822546 [1,1,0,0,0,0|2,0,0]=4 2645 B15R2.2189 NCc1ccccc1c2cc(n[nH]2)Br 271570a_100020632975_100160470719 [1,1,0,0,0,0|2,0,0]=4 2646 B15R2.2189 NCc1ccccc1c2ccc(s2)Br 271570a_100020632975_100010197418 [1,1,0,0,0,0|0,0,0]=2 2647 B15R2.2189 NCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000689332 [1,1,0,0,0,0|0,0,0]=2 2648 B15R2.2189 NCc1ccccc1c2csc(n2)N 271570a_100020632975_100011998049 [1,1,0,0,0,0|2,0,0]=4 2649 B15R2.2189 NCc1ccccc1c2nc(cs2)Br 271570a_100020632975_200016082925 [1,1,0,0,0,0|1,0,0]=3 2650 B15R2.2189 NCc1ccccc1c2nc(cs2)N 271570a_100020632975_200015188442 [1,1,0,0,0,0|1,0,0]=3 2651 B15R2.2189 NCc1ccccc1c2nnc(s2)N 271570a_100020632975_100000738278 [1,1,0,0,0,0|2,0,0]=4 2652 B15R2.2189 NCc1cccnc1c2ccc(s2)Cl 271570a_100000708867_100015189234 [1,1,0,0,0,0|1,0,0]=3 2653 B15R2.2189 NCc1ccncc1c2ccc(s2)Cl 271570a_100000708867_100020640021 [1,1,0,0,0,0|1,0,0]=3 2654 B15R2.2189 NCc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100020591323 [1,1,0,0,0,0|1,0,0]=3 2655 B15R2.2189 NCc1nccnc1c2ccc(s2)Cl 271570a_100000708867_100000729963 [1,1,0,0,0,0|2,0,0]=4 2656 B15R2.2189 NNc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000241748 [1,1,0,0,0,0|1,0,0]=3 2657 B15R2.2189 NNc1ccncc1c2ccc(s2)Cl 271570a_100000708867_100013404636 [1,1,0,0,0,0|2,0,0]=4 2658 B15R2.2189 NNc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100011464834 [1,1,0,0,0,0|2,0,0]=4 2659 B15R2.2189 Nc1csc(n1)c2ccccc2CO 271570a_100000066922_200015188442 [1,1,0,0,0,0|2,0,0]=4 2660 B15R2.2189 O=Cc1ccccc1c2ccc(s2)Br 271570a_100000740022_100010197418 [1,1,0,0,0,0|1,0,1]=4 2661 B15R2.2189 O=Cc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000211189 [1,1,0,0,0,0|1,0,1]=4 2662 B15R2.2189 OCc1ccccc1c2ccc(s2)Br 271570a_100000066922_100010197418 [1,1,0,0,0,0|1,0,0]=3 2663 B15R2.2189 OCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000187465 [1,1,0,0,0,0|1,0,0]=3 2664 B15R2.2189 OCc1ccccc1c2nc(cs2)Br 271570a_100000066922_200016082925 [1,1,0,0,0,0|2,0,0]=4 2665 B15R2.2189 OCc1cccnc1c2ccc(s2)Cl 271570a_100000708867_100000748726 [1,1,0,0,0,0|2,0,0]=4 2666 B15R2.2189 OCc1ccncc1c2ccc(s2)Cl 271570a_100000708867_100009873359 [1,1,0,0,0,0|2,0,0]=4 2667 B15R2.2189 OCc1cnccc1c2ccc(s2)Cl 271570a_100000708867_100000117392 [1,1,0,0,0,0|2,0,0]=4 2668 B15R2.2189 OCc1ncccc1c2ccc(s2)Cl 271570a_100000708867_100011996772 [1,1,0,0,0,0|2,0,0]=4 2669 B15R2.2233 CCc1cc(ccc1c2c[nH]cn2)Br 271570a_200010732553_100000756875 [1,1,0,0,0,0|2,0,0]=4 2670 B15R2.2233 CCc1cc(ccc1c2cc[nH]c2)Br 271570a_100000102155_100011216195 [1,1,0,0,0,0|2,0,0]=4 2671 B15R2.2233 CCc1cc(ccc1c2cc[nH]c2)N 271570a_100000102155_100010109747 [1,1,0,0,0,0|2,0,0]=4 2672 B15R2.2233 CCc1cc(ccc1c2cc[nH]n2)Br 271570a_100000062414_100011216195 [1,1,0,0,0,0|2,0,0]=4 2673 B15R2.2233 CCc1cc(ccc1c2cc[nH]n2)Br 271570a_200010732553_100000062575 [1,1,0,0,0,0|2,0,0]=4 2674 B15R2.2233 CCc1cc(ccc1c2cc[nH]n2)N 271570a_100000062414_100010109747 [1,1,0,0,0,0|2,0,0]=4 2675 B15R2.2233 CCc1cc(ccc1c2ccco2)Br 271570a_100000750936_100011216195 [1,1,0,0,0,0|0,1,0]=3 2676 B15R2.2233 CCc1cc(ccc1c2ccco2)Br 271570a_200010732553_100009814098 [1,1,0,0,0,0|0,1,0]=3 2677 B15R2.2233 CCc1cc(ccc1c2ccco2)N 271570a_100000750936_100010109747 [1,1,0,0,0,0|0,1,0]=3 2678 B15R2.2233 CCc1cc(ccc1c2cccs2)Br 271570a_100000742291_100011216195 [1,1,0,0,0,0|0,0,0]=2 2679 B15R2.2233 CCc1cc(ccc1c2cccs2)Br 271570a_200010732553_100011215356 [1,1,0,0,0,0|0,0,0]=2 2680 B15R2.2233 CCc1cc(ccc1c2cccs2)N 271570a_100000742291_100010109747 [1,1,0,0,0,0|0,0,0]=2 2681 B15R2.2233 CCc1cc(ccc1c2ccoc2)Br 271570a_100011218838_100011216195 [1,1,0,0,0,0|2,0,0]=4 2682 B15R2.2233 CCc1cc(ccc1c2ccoc2)Br 271570a_200010732553_100011215275 [1,1,0,0,0,0|2,0,0]=4 2683 B15R2.2233 CCc1cc(ccc1c2ccoc2)N 271570a_100011218838_100010109747 [1,1,0,0,0,0|2,0,0]=4 2684 B15R2.2233 CCc1cc(ccc1c2ccsc2)Br 271570a_100011934443_100011216195 [1,1,0,0,0,0|2,0,0]=4 2685 B15R2.2233 CCc1cc(ccc1c2ccsc2)Br 271570a_200010732553_100000738268 [1,1,0,0,0,0|2,0,0]=4 2686 B15R2.2233 CCc1cc(ccc1c2ccsc2)N 271570a_100011934443_100010109747 [1,1,0,0,0,0|2,0,0]=4 2687 B15R2.2233 CCc1cc(ccc1c2ccsn2)Br 271570a_200010732553_100009818082 [1,1,0,0,0,0|2,0,0]=4 2688 B15R2.2233 CCc1cc(ccc1c2cnco2)Br 271570a_200010732553_100020591547 [1,1,0,0,0,0|1,1,0]=4 2689 B15R2.2233 CCc1cc(ccc1c2cncs2)Br 271570a_100010231675_100011216195 [1,1,0,0,0,0|1,0,0]=3 2690 B15R2.2233 CCc1cc(ccc1c2cncs2)Br 271570a_200010732553_100011934649 [1,1,0,0,0,0|1,0,0]=3 2691 B15R2.2233 CCc1cc(ccc1c2cncs2)N 271570a_100010231675_100010109747 [1,1,0,0,0,0|1,0,0]=3 2692 B15R2.2233 CCc1cc(ccc1c2cscn2)Br 271570a_200010732553_100000751502 [1,1,0,0,0,0|2,0,0]=4 2693 B15R2.2233 CCc1cc(ccc1c2ncc[nH]2)Br 271570a_100016988920_100011216195 [1,1,0,0,0,0|2,0,0]=4 2694 B15R2.2233 CCc1cc(ccc1c2ncc[nH]2)Br 271570a_200010732553_100025796157 [1,1,0,0,0,0|2,0,0]=4 2695 B15R2.2233 CCc1cc(ccc1c2ncc[nH]2)N 271570a_100016988920_100010109747 [1,1,0,0,0,0|2,0,0]=4 2696 B15R2.2233 CCc1cc(ccc1c2ncco2)Br 271570a_200010732553_100011787736 [1,1,0,0,0,0|1,1,0]=4 2697 B15R2.2233 CCc1cc(ccc1c2nccs2)Br 271570a_200010732553_100000211983 [1,1,0,0,0,0|1,0,0]=3 2698 B15R2.2233 CCc1cc(ccc1c2ncns2)Br 271570a_200010732553_100000693119 [1,1,0,0,0,0|2,0,0]=4 2699 B15R2.2233 CCc1cc(ccc1c2nncs2)Br 271570a_200010732553_100000739804 [1,1,0,0,0,0|2,0,0]=4 2700 B15R2.2233 CNc1cc(ccc1c2cc[nH]c2)F 271570a_100000102155_100020633008 [1,1,0,0,0,0|2,0,0]=4 2701 B15R2.2233 CNc1cc(ccc1c2cc[nH]n2)F 271570a_100000062414_100020633008 [1,1,0,0,0,0|2,0,0]=4 2702 B15R2.2233 CNc1cc(ccc1c2ccco2)F 271570a_100000750936_100020633008 [1,1,0,0,0,0|0,1,0]=3 2703 B15R2.2233 CNc1cc(ccc1c2cccs2)F 271570a_100000742291_100020633008 [1,1,0,0,0,0|0,0,0]=2 2704 B15R2.2233 CNc1cc(ccc1c2ccoc2)F 271570a_100011218838_100020633008 [1,1,0,0,0,0|2,0,0]=4 2705 B15R2.2233 CNc1cc(ccc1c2ccsc2)F 271570a_100011934443_100020633008 [1,1,0,0,0,0|2,0,0]=4 2706 B15R2.2233 CNc1cc(ccc1c2cncs2)F 271570a_100010231675_100020633008 [1,1,0,0,0,0|1,0,0]=3 2707 B15R2.2233 CNc1cc(ccc1c2ncc[nH]2)F 271570a_100016988920_100020633008 [1,1,0,0,0,0|2,0,0]=4 2708 B15R2.2233 CNc1cc(ccc1n2cccc2)C 34a_200011219500_200000210301 [1,1,0,0,0,0|2,0,0]=4 2709 B15R2.2233 COc1cc(ccc1c2ccco2)Br 271570a_100000750936_100010245111 [1,1,0,0,0,0|1,1,0]=4 2710 B15R2.2233 COc1cc(ccc1c2ccco2)C 271570a_100000750936_100010200004 [1,1,0,0,0,0|1,1,0]=4 2711 B15R2.2233 COc1cc(ccc1c2ccco2)C 271570a_100010045234_100009814098 [1,1,0,0,0,0|1,1,0]=4 2712 B15R2.2233 COc1cc(ccc1c2ccco2)Cl 271570a_100000750936_100000050115 [1,1,0,0,0,0|1,1,0]=4 2713 B15R2.2233 COc1cc(ccc1c2ccco2)Cl 271570a_100010045236_100009814098 [1,1,0,0,0,0|1,1,0]=4 2714 B15R2.2233 COc1cc(ccc1c2ccco2)F 271570a_100000750936_100000757151 [1,1,0,0,0,0|1,1,0]=4 2715 B15R2.2233 COc1cc(ccc1c2ccco2)F 271570a_100011216706_100009814098 [1,1,0,0,0,0|1,1,0]=4 2716 B15R2.2233 COc1cc(ccc1c2ccco2)N 271570a_100000750936_100000765947 [1,1,0,0,0,0|1,1,0]=4 2717 B15R2.2233 COc1cc(ccc1c2ccco2)N 271570a_200010713017_100009814098 [1,1,0,0,0,0|1,1,0]=4 2718 B15R2.2233 COc1cc(ccc1c2ccco2)O 271570a_100000750936_100011827694 [1,1,0,0,0,0|1,1,0]=4 2719 B15R2.2233 COc1cc(ccc1c2ccco2)O 271570a_100010081579_100009814098 [1,1,0,0,0,0|1,1,0]=4 2720 B15R2.2233 COc1cc(ccc1c2cccs2)Br 271570a_100000742291_100010245111 [1,1,0,0,0,0|1,0,0]=3 2721 B15R2.2233 COc1cc(ccc1c2cccs2)C 271570a_100000742291_100010200004 [1,1,0,0,0,0|1,0,0]=3 2722 B15R2.2233 COc1cc(ccc1c2cccs2)C 271570a_100010045234_100011215356 [1,1,0,0,0,0|1,0,0]=3 2723 B15R2.2233 COc1cc(ccc1c2cccs2)Cl 271570a_100000742291_100000050115 [1,1,0,0,0,0|1,0,0]=3 2724 B15R2.2233 COc1cc(ccc1c2cccs2)Cl 271570a_100010045236_100011215356 [1,1,0,0,0,0|1,0,0]=3 2725 B15R2.2233 COc1cc(ccc1c2cccs2)F 271570a_100000742291_100000757151 [1,1,0,0,0,0|1,0,0]=3 2726 B15R2.2233 COc1cc(ccc1c2cccs2)F 271570a_100011216706_100011215356 [1,1,0,0,0,0|1,0,0]=3 2727 B15R2.2233 COc1cc(ccc1c2cccs2)N 271570a_100000742291_100000765947 [1,1,0,0,0,0|1,0,0]=3 2728 B15R2.2233 COc1cc(ccc1c2cccs2)N 271570a_200010713017_100011215356 [1,1,0,0,0,0|1,0,0]=3 2729 B15R2.2233 COc1cc(ccc1c2cccs2)O 271570a_100000742291_100011827694 [1,1,0,0,0,0|1,0,0]=3 2730 B15R2.2233 COc1cc(ccc1c2cccs2)O 271570a_100010081579_100011215356 [1,1,0,0,0,0|1,0,0]=3 2731 B15R2.2233 COc1cc(ccc1c2cncs2)Br 271570a_100010231675_100010245111 [1,1,0,0,0,0|2,0,0]=4 2732 B15R2.2233 COc1cc(ccc1c2cncs2)C 271570a_100010045234_100011934649 [1,1,0,0,0,0|2,0,0]=4 2733 B15R2.2233 COc1cc(ccc1c2cncs2)C 271570a_100010231675_100010200004 [1,1,0,0,0,0|2,0,0]=4 2734 B15R2.2233 COc1cc(ccc1c2cncs2)Cl 271570a_100010045236_100011934649 [1,1,0,0,0,0|2,0,0]=4 2735 B15R2.2233 COc1cc(ccc1c2cncs2)Cl 271570a_100010231675_100000050115 [1,1,0,0,0,0|2,0,0]=4 2736 B15R2.2233 COc1cc(ccc1c2cncs2)F 271570a_100010231675_100000757151 [1,1,0,0,0,0|2,0,0]=4 2737 B15R2.2233 COc1cc(ccc1c2cncs2)F 271570a_100011216706_100011934649 [1,1,0,0,0,0|2,0,0]=4 2738 B15R2.2233 COc1cc(ccc1c2cncs2)N 271570a_100010231675_100000765947 [1,1,0,0,0,0|2,0,0]=4 2739 B15R2.2233 COc1cc(ccc1c2cncs2)N 271570a_200010713017_100011934649 [1,1,0,0,0,0|2,0,0]=4 2740 B15R2.2233 COc1cc(ccc1c2cncs2)O 271570a_100010081579_100011934649 [1,1,0,0,0,0|2,0,0]=4 2741 B15R2.2233 COc1cc(ccc1c2cncs2)O 271570a_100010231675_100011827694 [1,1,0,0,0,0|2,0,0]=4 2742 B15R2.2233 COc1cc(ccc1c2nccs2)C 271570a_100010045234_100000211983 [1,1,0,0,0,0|2,0,0]=4 2743 B15R2.2233 COc1cc(ccc1c2nccs2)Cl 271570a_100010045236_100000211983 [1,1,0,0,0,0|2,0,0]=4 2744 B15R2.2233 COc1cc(ccc1c2nccs2)F 271570a_100011216706_100000211983 [1,1,0,0,0,0|2,0,0]=4 2745 B15R2.2233 COc1cc(ccc1c2nccs2)N 271570a_200010713017_100000211983 [1,1,0,0,0,0|2,0,0]=4 2746 B15R2.2233 COc1cc(ccc1c2nccs2)O 271570a_100010081579_100000211983 [1,1,0,0,0,0|2,0,0]=4 2747 B15R2.2233 COc1cc(cnc1c2cccs2)C 271570a_100000742291_200000118316 [1,1,0,0,0,0|2,0,0]=4 2748 B15R2.2233 COc1cc(cnc1c2cccs2)F 271570a_100000742291_100009867738 [1,1,0,0,0,0|2,0,0]=4 2749 B15R2.2233 COc1cc(cnc1c2cccs2)N 271570a_100000742291_100000097218 [1,1,0,0,0,0|2,0,0]=4 2750 B15R2.2233 COc1cc(ncc1c2cccs2)C 271570a_100000742291_100000717771 [1,1,0,0,0,0|2,0,0]=4 2751 B15R2.2233 COc1cc(ncc1c2cccs2)Cl 271570a_100000742291_100010154656 [1,1,0,0,0,0|2,0,0]=4 2752 B15R2.2233 COc1cc(ncc1c2cccs2)F 271570a_100000742291_100010135560 [1,1,0,0,0,0|2,0,0]=4 2753 B15R2.2233 COc1cc(ncc1c2cccs2)N 271570a_100000742291_100015506990 [1,1,0,0,0,0|2,0,0]=4 2754 B15R2.2233 COc1nc(ccc1c2cccs2)Br 271570a_100010143858_100011215356 [1,1,0,0,0,0|2,0,0]=4 2755 B15R2.2233 COc1nc(ccc1c2cccs2)C 271570a_100000742291_100010138632 [1,1,0,0,0,0|2,0,0]=4 2756 B15R2.2233 COc1nc(ccc1c2cccs2)C 271570a_100010129928_100011215356 [1,1,0,0,0,0|2,0,0]=4 2757 B15R2.2233 COc1nc(ccc1c2cccs2)Cl 271570a_100000101703_100011215356 [1,1,0,0,0,0|2,0,0]=4 2758 B15R2.2233 COc1nc(ccc1c2cccs2)N 271570a_100000742291_100010187630 [1,1,0,0,0,0|2,0,0]=4 2759 B15R2.2233 CSc1cc(ccc1c2ccco2)C 271570a_100000750936_200010709736 [1,1,0,0,0,0|1,1,0]=4 2760 B15R2.2233 CSc1cc(ccc1c2ccco2)F 271570a_100009858898_100009814098 [1,1,0,0,0,0|1,1,0]=4 2761 B15R2.2233 CSc1cc(ccc1c2cccs2)C 271570a_100000742291_200010709736 [1,1,0,0,0,0|1,0,0]=3 2762 B15R2.2233 CSc1cc(ccc1c2cccs2)F 271570a_100009858898_100011215356 [1,1,0,0,0,0|1,0,0]=3 2763 B15R2.2233 CSc1cc(ccc1c2cncs2)C 271570a_100010231675_200010709736 [1,1,0,0,0,0|2,0,0]=4 2764 B15R2.2233 CSc1cc(ccc1c2cncs2)F 271570a_100009858898_100011934649 [1,1,0,0,0,0|2,0,0]=4 2765 B15R2.2233 CSc1cc(ccc1c2nccs2)F 271570a_100009858898_100000211983 [1,1,0,0,0,0|2,0,0]=4 2766 B15R2.2233 CSc1cc(cnc1c2cccs2)C 271570a_100000742291_100010884634 [1,1,0,0,0,0|2,0,0]=4 2767 B15R2.2233 Cc1cc(c(cn1)c2cccs2)CO 271570a_100000742291_100015579599 [1,1,0,0,0,0|2,0,0]=4 2768 B15R2.2233 Cc1ccc(c(c1)C#N)c2cccs2 271570a_100000719630_100011215356 [1,1,0,0,0,0|0,0,2]=4 2769 B15R2.2233 Cc1ccc(c(c1)C#N)c2cccs2 271570a_100000742291_100011935190 [1,1,0,0,0,0|0,0,2]=4 2770 B15R2.2233 Cc1ccc(c(c1)C=O)c2cccs2 271570a_100000742291_100011551863 [1,1,0,0,0,0|1,0,1]=4 2771 B15R2.2233 Cc1ccc(c(c1)C=O)c2cccs2 271570a_100010043623_100011215356 [1,1,0,0,0,0|1,0,1]=4 2772 B15R2.2233 Cc1ccc(c(c1)CO)c2ccco2 271570a_100000750936_100012361352 [1,1,0,0,0,0|1,1,0]=4 2773 B15R2.2233 Cc1ccc(c(c1)CO)c2cccs2 271570a_100000742291_100012361352 [1,1,0,0,0,0|1,0,0]=3 2774 B15R2.2233 Cc1ccc(c(c1)CO)c2cncs2 271570a_100010231675_100012361352 [1,1,0,0,0,0|2,0,0]=4 2775 B15R2.2233 Cc1ccc(c(c1)N[13CH3])n2cccc2 34a_200011219500_200025704644 [1,1,0,0,0,0|2,0,0]=4 2776 B15R2.2233 Cc1ccc(c(n1)CO)c2cccs2 271570a_100000742291_100010074375 [1,1,0,0,0,0|2,0,0]=4 2777 B15R2.2233 Cc1cnc(c(c1)CO)c2cccs2 271570a_100000742291_100000118064 [1,1,0,0,0,0|2,0,0]=4 2778 B15R2.2233 N#Cc1cc(ccc1c2cccs2)Br 271570a_100000742291_100011219714 [1,1,0,0,0,0|0,0,2]=4 2779 B15R2.2233 N#Cc1cc(ccc1c2cccs2)Cl 271570a_100000742291_200011356825 [1,1,0,0,0,0|0,0,2]=4 2780 B15R2.2233 N#Cc1cc(ccc1c2cccs2)F 271570a_100000069875_100011215356 [1,1,0,0,0,0|0,0,2]=4 2781 B15R2.2233 N#Cc1cc(ccc1c2cccs2)F 271570a_100000742291_100000747550 [1,1,0,0,0,0|0,0,2]=4 2782 B15R2.2233 N#Cc1cc(ccc1c2cccs2)N 271570a_100000742291_100011934039 [1,1,0,0,0,0|0,0,2]=4 2783 B15R2.2233 N#Cc1cc(ccc1c2cccs2)O 271570a_100000742291_100009818209 [1,1,0,0,0,0|0,0,2]=4 2784 B15R2.2233 NCc1cc(ccc1c2c[nH]cn2)F 271570a_100020625080_100000756875 [1,1,0,0,0,0|2,0,0]=4 2785 B15R2.2233 NCc1cc(ccc1c2cc[nH]c2)F 271570a_100000102155_100000742738 [1,1,0,0,0,0|2,0,0]=4 2786 B15R2.2233 NCc1cc(ccc1c2cc[nH]n2)F 271570a_100000062414_100000742738 [1,1,0,0,0,0|2,0,0]=4 2787 B15R2.2233 NCc1cc(ccc1c2cc[nH]n2)F 271570a_100020625080_100000062575 [1,1,0,0,0,0|2,0,0]=4 2788 B15R2.2233 NCc1cc(ccc1c2ccco2)F 271570a_100000750936_100000742738 [1,1,0,0,0,0|0,1,0]=3 2789 B15R2.2233 NCc1cc(ccc1c2ccco2)F 271570a_100020625080_100009814098 [1,1,0,0,0,0|0,1,0]=3 2790 B15R2.2233 NCc1cc(ccc1c2cccs2)F 271570a_100000742291_100000742738 [1,1,0,0,0,0|0,0,0]=2 2791 B15R2.2233 NCc1cc(ccc1c2cccs2)F 271570a_100020625080_100011215356 [1,1,0,0,0,0|0,0,0]=2 2792 B15R2.2233 NCc1cc(ccc1c2ccoc2)F 271570a_100011218838_100000742738 [1,1,0,0,0,0|2,0,0]=4 2793 B15R2.2233 NCc1cc(ccc1c2ccoc2)F 271570a_100020625080_100011215275 [1,1,0,0,0,0|2,0,0]=4 2794 B15R2.2233 NCc1cc(ccc1c2ccsc2)F 271570a_100011934443_100000742738 [1,1,0,0,0,0|2,0,0]=4 2795 B15R2.2233 NCc1cc(ccc1c2ccsc2)F 271570a_100020625080_100000738268 [1,1,0,0,0,0|2,0,0]=4 2796 B15R2.2233 NCc1cc(ccc1c2ccsn2)F 271570a_100020625080_100009818082 [1,1,0,0,0,0|2,0,0]=4 2797 B15R2.2233 NCc1cc(ccc1c2cnco2)F 271570a_100020625080_100020591547 [1,1,0,0,0,0|1,1,0]=4 2798 B15R2.2233 NCc1cc(ccc1c2cncs2)F 271570a_100010231675_100000742738 [1,1,0,0,0,0|1,0,0]=3 2799 B15R2.2233 NCc1cc(ccc1c2cncs2)F 271570a_100020625080_100011934649 [1,1,0,0,0,0|1,0,0]=3 2800 B15R2.2233 NCc1cc(ccc1c2cscn2)F 271570a_100020625080_100000751502 [1,1,0,0,0,0|2,0,0]=4 2801 B15R2.2233 NCc1cc(ccc1c2ncc[nH]2)F 271570a_100016988920_100000742738 [1,1,0,0,0,0|2,0,0]=4 2802 B15R2.2233 NCc1cc(ccc1c2ncc[nH]2)F 271570a_100020625080_100025796157 [1,1,0,0,0,0|2,0,0]=4 2803 B15R2.2233 NCc1cc(ccc1c2ncco2)F 271570a_100020625080_100011787736 [1,1,0,0,0,0|1,1,0]=4 2804 B15R2.2233 NCc1cc(ccc1c2nccs2)F 271570a_100020625080_100000211983 [1,1,0,0,0,0|1,0,0]=3 2805 B15R2.2233 NCc1cc(ccc1c2ncns2)F 271570a_100020625080_100000693119 [1,1,0,0,0,0|2,0,0]=4 2806 B15R2.2233 NCc1cc(ccc1c2nncs2)F 271570a_100020625080_100000739804 [1,1,0,0,0,0|2,0,0]=4 2807 B15R2.2233 NCc1cc(cnc1c2ccco2)F 271570a_100000750936_100010760786 [1,1,0,0,0,0|1,1,0]=4 2808 B15R2.2233 NCc1cc(cnc1c2cccs2)F 271570a_100000742291_100010760786 [1,1,0,0,0,0|1,0,0]=3 2809 B15R2.2233 NCc1cc(cnc1c2cncs2)F 271570a_100010231675_100010760786 [1,1,0,0,0,0|2,0,0]=4 2810 B15R2.2233 NNc1cc(ccc1c2ccco2)F 271570a_100000750936_100012362518 [1,1,0,0,0,0|1,1,0]=4 2811 B15R2.2233 NNc1cc(ccc1c2cccs2)F 271570a_100000742291_100012362518 [1,1,0,0,0,0|1,0,0]=3 2812 B15R2.2233 NNc1cc(ccc1c2cncs2)F 271570a_100010231675_100012362518 [1,1,0,0,0,0|2,0,0]=4 2813 B15R2.2233 Nc1ccc(c(c1)CO)c2ccco2 271570a_100000750936_100012347228 [1,1,0,0,0,0|1,1,0]=4 2814 B15R2.2233 Nc1ccc(c(c1)CO)c2cccs2 271570a_100000742291_100012347228 [1,1,0,0,0,0|1,0,0]=3 2815 B15R2.2233 Nc1ccc(c(c1)CO)c2cncs2 271570a_100010231675_100012347228 [1,1,0,0,0,0|2,0,0]=4 2816 B15R2.2233 O=Cc1cc(ccc1c2cccs2)Br 271570a_100000742291_100010185651 [1,1,0,0,0,0|1,0,1]=4 2817 B15R2.2233 O=Cc1cc(ccc1c2cccs2)Br 271570a_100021397726_100011215356 [1,1,0,0,0,0|1,0,1]=4 2818 B15R2.2233 O=Cc1cc(ccc1c2cccs2)Cl 271570a_100000069396_100011215356 [1,1,0,0,0,0|1,0,1]=4 2819 B15R2.2233 O=Cc1cc(ccc1c2cccs2)Cl 271570a_100000742291_100010254386 [1,1,0,0,0,0|1,0,1]=4 2820 B15R2.2233 O=Cc1cc(ccc1c2cccs2)F 271570a_100000742291_100011218309 [1,1,0,0,0,0|1,0,1]=4 2821 B15R2.2233 O=Cc1cc(ccc1c2cccs2)F 271570a_100010043619_100011215356 [1,1,0,0,0,0|1,0,1]=4 2822 B15R2.2233 O=Cc1cc(ccc1c2cccs2)O 271570a_100000742291_100000690577 [1,1,0,0,0,0|1,0,1]=4 2823 B15R2.2233 O=Cc1cc(ccc1c2cccs2)O 271570a_100010081631_100011215356 [1,1,0,0,0,0|1,0,1]=4 2824 B15R2.2233 OCc1cc(ccc1c2ccco2)Br 271570a_100000750936_100011356890 [1,1,0,0,0,0|1,1,0]=4 2825 B15R2.2233 OCc1cc(ccc1c2ccco2)F 271570a_100000750936_100011217561 [1,1,0,0,0,0|1,1,0]=4 2826 B15R2.2233 OCc1cc(ccc1c2ccco2)F 271570a_100010365536_100009814098 [1,1,0,0,0,0|1,1,0]=4 2827 B15R2.2233 OCc1cc(ccc1c2ccco2)O 271570a_100000750936_100012351483 [1,1,0,0,0,0|1,1,0]=4 2828 B15R2.2233 OCc1cc(ccc1c2cccs2)Br 271570a_100000742291_100011356890 [1,1,0,0,0,0|1,0,0]=3 2829 B15R2.2233 OCc1cc(ccc1c2cccs2)F 271570a_100000742291_100011217561 [1,1,0,0,0,0|1,0,0]=3 2830 B15R2.2233 OCc1cc(ccc1c2cccs2)F 271570a_100010365536_100011215356 [1,1,0,0,0,0|1,0,0]=3 2831 B15R2.2233 OCc1cc(ccc1c2cccs2)O 271570a_100000742291_100012351483 [1,1,0,0,0,0|1,0,0]=3 2832 B15R2.2233 OCc1cc(ccc1c2cncs2)Br 271570a_100010231675_100011356890 [1,1,0,0,0,0|2,0,0]=4 2833 B15R2.2233 OCc1cc(ccc1c2cncs2)F 271570a_100010231675_100011217561 [1,1,0,0,0,0|2,0,0]=4 2834 B15R2.2233 OCc1cc(ccc1c2cncs2)F 271570a_100010365536_100011934649 [1,1,0,0,0,0|2,0,0]=4 2835 B15R2.2233 OCc1cc(ccc1c2cncs2)O 271570a_100010231675_100012351483 [1,1,0,0,0,0|2,0,0]=4 2836 B15R2.2233 OCc1cc(ccc1c2nccs2)F 271570a_100010365536_100000211983 [1,1,0,0,0,0|2,0,0]=4 2837 B15R2.2233 OCc1cc(cnc1c2cccs2)F 271570a_100000742291_100000079972 [1,1,0,0,0,0|2,0,0]=4 2838 B15R2.2233 OCc1nc(ccc1c2cccs2)F 271570a_100000742291_100000701195 [1,1,0,0,0,0|2,0,0]=4 2839 B15R2.2302 C#Cc1ccccc1c2sccc2Br 271570a_100000099761_100012361411 [1,1,0,0,0,0|0,0,2]=4 2840 B15R2.2302 C#Cc1ccccc1c2sccc2C 271570a_100000099761_100000742657 [1,1,0,0,0,0|0,0,2]=4 2841 B15R2.2302 C=Cc1ccccc1c2sccc2Br 271570a_100000037480_100012361411 [1,1,0,0,0,0|0,0,2]=4 2842 B15R2.2302 C=Cc1ccccc1c2sccc2C 271570a_100000037480_100000742657 [1,1,0,0,0,0|0,0,2]=4 2843 B15R2.2302 CCc1ccccc1c2[nH]cnc2Cl 271570a_100011216252_100010200774 [1,1,0,0,0,0|2,0,0]=4 2844 B15R2.2302 CCc1ccccc1c2cccn2C 271570a_100000068268_100011215823 [1,1,0,0,0,0|1,0,0]=3 2845 B15R2.2302 CCc1ccccc1c2ccnn2C 271570a_100000707534_100011215823 [1,1,0,0,0,0|2,0,0]=4 2846 B15R2.2302 CCc1ccccc1c2ccnn2C 271570a_100011216252_100000688441 [1,1,0,0,0,0|2,0,0]=4 2847 B15R2.2302 CCc1ccccc1c2ccoc2C 271570a_100000070625_100011215823 [1,1,0,0,0,0|2,0,0]=4 2848 B15R2.2302 CCc1ccccc1c2ccsc2C 271570a_100011216252_100000684487 [1,1,0,0,0,0|2,0,0]=4 2849 B15R2.2302 CCc1ccccc1c2ccsc2C 271570a_100012356473_100011215823 [1,1,0,0,0,0|2,0,0]=4 2850 B15R2.2302 CCc1ccccc1c2ccsc2Cl 271570a_100000117213_100011215823 [1,1,0,0,0,0|2,0,0]=4 2851 B15R2.2302 CCc1ccccc1c2cncn2C 271570a_100009892668_100011215823 [1,1,0,0,0,0|2,0,0]=4 2852 B15R2.2302 CCc1ccccc1c2cncn2C 271570a_100011216252_100009814087 [1,1,0,0,0,0|2,0,0]=4 2853 B15R2.2302 CCc1ccccc1c2cscc2Br 271570a_100011216252_100010143727 [1,1,0,0,0,0|2,0,0]=4 2854 B15R2.2302 CCc1ccccc1c2cscc2C 271570a_100000069996_100011215823 [1,1,0,0,0,0|2,0,0]=4 2855 B15R2.2302 CCc1ccccc1c2cscc2C 271570a_100011216252_100000759966 [1,1,0,0,0,0|2,0,0]=4 2856 B15R2.2302 CCc1ccccc1c2n[nH]cc2Br 271570a_100011216252_100015839836 [1,1,0,0,0,0|2,0,0]=4 2857 B15R2.2302 CCc1ccccc1c2n[nH]cc2C 271570a_100011216252_100009871783 [1,1,0,0,0,0|2,0,0]=4 2858 B15R2.2302 CCc1ccccc1c2n[nH]cc2C 271570a_100102527747_100011215823 [1,1,0,0,0,0|2,0,0]=4 2859 B15R2.2302 CCc1ccccc1c2n[nH]cc2N 271570a_100011216252_100010894806 [1,1,0,0,0,0|2,0,0]=4 2860 B15R2.2302 CCc1ccccc1c2nc[nH]c2C 271570a_100011216252_100009816806 [1,1,0,0,0,0|2,0,0]=4 2861 B15R2.2302 CCc1ccccc1c2nccn2C 271570a_100011216252_100000707724 [1,1,0,0,0,0|2,0,0]=4 2862 B15R2.2302 CCc1ccccc1c2ncsc2C 271570a_100011216252_100000732656 [1,1,0,0,0,0|2,0,0]=4 2863 B15R2.2302 CCc1ccccc1c2sccc2Br 271570a_100011216252_100012361411 [1,1,0,0,0,0|0,0,0]=2 2864 B15R2.2302 CCc1ccccc1c2sccc2C 271570a_100000734444_100011215823 [1,1,0,0,0,0|0,0,0]=2 2865 B15R2.2302 CCc1ccccc1c2sccc2C 271570a_100011216252_100000742657 [1,1,0,0,0,0|0,0,0]=2 2866 B15R2.2302 CCc1ccccc1c2scnc2C 271570a_100010115231_100011215823 [1,1,0,0,0,0|1,0,0]=3 2867 B15R2.2302 CCc1ccccc1c2scnc2C 271570a_100011216252_100009817116 [1,1,0,0,0,0|1,0,0]=3 2868 B15R2.2302 CCc1ccncc1c2cccn2C 271570a_100000068268_100009819861 [1,1,0,0,0,0|2,0,0]=4 2869 B15R2.2302 CCc1ccncc1c2sccc2C 271570a_100000734444_100009819861 [1,1,0,0,0,0|1,0,0]=3 2870 B15R2.2302 CCc1ccncc1c2scnc2C 271570a_100010115231_100009819861 [1,1,0,0,0,0|2,0,0]=4 2871 B15R2.2302 CCc1cnccc1c2cccn2C 271570a_100000068268_100025704421 [1,1,0,0,0,0|2,0,0]=4 2872 B15R2.2302 CCc1cnccc1c2sccc2C 271570a_100000734444_100025704421 [1,1,0,0,0,0|1,0,0]=3 2873 B15R2.2302 CCc1cnccc1c2scnc2C 271570a_100010115231_100025704421 [1,1,0,0,0,0|2,0,0]=4 2874 B15R2.2302 CCc1cncnc1c2sccc2C 271570a_100000734444_200000100055 [1,1,0,0,0,0|2,0,0]=4 2875 B15R2.2302 CCc1ncccc1c2cccn2C 271570a_100000068268_100009877225 [1,1,0,0,0,0|2,0,0]=4 2876 B15R2.2302 CCc1ncccc1c2sccc2C 271570a_100000734444_100009877225 [1,1,0,0,0,0|1,0,0]=3 2877 B15R2.2302 CCc1ncccc1c2scnc2C 271570a_100010115231_100009877225 [1,1,0,0,0,0|2,0,0]=4 2878 B15R2.2302 CCc1nccnc1c2sccc2C 271570a_100000734444_100011995844 [1,1,0,0,0,0|2,0,0]=4 2879 B15R2.2302 CCc1ncncc1c2sccc2C 271570a_100000734444_100009816992 [1,1,0,0,0,0|2,0,0]=4 2880 B15R2.2302 CNc1ccccc1c2cccn2C 271570a_100000068268_100020606079 [1,1,0,0,0,0|1,0,0]=3 2881 B15R2.2302 CNc1ccccc1c2ccnn2C 271570a_100000707534_100020606079 [1,1,0,0,0,0|2,0,0]=4 2882 B15R2.2302 CNc1ccccc1c2ccoc2C 271570a_100000070625_100020606079 [1,1,0,0,0,0|2,0,0]=4 2883 B15R2.2302 CNc1ccccc1c2ccsc2C 271570a_100012356473_100020606079 [1,1,0,0,0,0|2,0,0]=4 2884 B15R2.2302 CNc1ccccc1c2ccsc2Cl 271570a_100000117213_100020606079 [1,1,0,0,0,0|2,0,0]=4 2885 B15R2.2302 CNc1ccccc1c2cncn2C 271570a_100009892668_100020606079 [1,1,0,0,0,0|2,0,0]=4 2886 B15R2.2302 CNc1ccccc1c2cscc2C 271570a_100000069996_100020606079 [1,1,0,0,0,0|2,0,0]=4 2887 B15R2.2302 CNc1ccccc1c2n[nH]cc2C 271570a_100102527747_100020606079 [1,1,0,0,0,0|2,0,0]=4 2888 B15R2.2302 CNc1ccccc1c2sccc2C 271570a_100000734444_100020606079 [1,1,0,0,0,0|0,0,0]=2 2889 B15R2.2302 CNc1ccccc1c2scnc2C 271570a_100010115231_100020606079 [1,1,0,0,0,0|1,0,0]=3 2890 B15R2.2302 CNc1cccnc1c2cccn2C 271570a_100000068268_200011806188 [1,1,0,0,0,0|2,0,0]=4 2891 B15R2.2302 CNc1cccnc1c2sccc2C 271570a_100000734444_200011806188 [1,1,0,0,0,0|1,0,0]=3 2892 B15R2.2302 CNc1cccnc1c2scnc2C 271570a_100010115231_200011806188 [1,1,0,0,0,0|2,0,0]=4 2893 B15R2.2302 CNc1ccncc1c2cccn2C 271570a_100000068268_100010069531 [1,1,0,0,0,0|2,0,0]=4 2894 B15R2.2302 CNc1ccncc1c2sccc2C 271570a_100000734444_100010069531 [1,1,0,0,0,0|1,0,0]=3 2895 B15R2.2302 CNc1ccncc1c2scnc2C 271570a_100010115231_100010069531 [1,1,0,0,0,0|2,0,0]=4 2896 B15R2.2302 CNc1ncccc1c2cccn2C 271570a_100000068268_100000700899 [1,1,0,0,0,0|2,0,0]=4 2897 B15R2.2302 CNc1ncccc1c2sccc2C 271570a_100000734444_100000700899 [1,1,0,0,0,0|1,0,0]=3 2898 B15R2.2302 CNc1ncccc1c2scnc2C 271570a_100010115231_100000700899 [1,1,0,0,0,0|2,0,0]=4 2899 B15R2.2302 CNc1nccnc1c2sccc2C 271570a_100000734444_100011529439 [1,1,0,0,0,0|2,0,0]=4 2900 B15R2.2302 CNc1ncncc1c2sccc2C 271570a_100000734444_200012180720 [1,1,0,0,0,0|2,0,0]=4 2901 B15R2.2302 COc1ccccc1c2cccn2C 271570a_100000068268_100000174000 [1,1,0,0,0,0|2,0,0]=4 2902 B15R2.2302 COc1ccccc1c2sccc2Br 271570a_100000756652_100012361411 [1,1,0,0,0,0|1,0,0]=3 2903 B15R2.2302 COc1ccccc1c2sccc2C 271570a_100000734444_100000174000 [1,1,0,0,0,0|1,0,0]=3 2904 B15R2.2302 COc1ccccc1c2sccc2C 271570a_100000756652_100000742657 [1,1,0,0,0,0|1,0,0]=3 2905 B15R2.2302 COc1ccccc1c2scnc2C 271570a_100000756652_100009817116 [1,1,0,0,0,0|2,0,0]=4 2906 B15R2.2302 COc1ccccc1c2scnc2C 271570a_100010115231_100000174000 [1,1,0,0,0,0|2,0,0]=4 2907 B15R2.2302 COc1cccnc1c2sccc2C 271570a_100000734444_100000690851 [1,1,0,0,0,0|2,0,0]=4 2908 B15R2.2302 COc1ccncc1c2sccc2Br 271570a_100011830476_100012361411 [1,1,0,0,0,0|2,0,0]=4 2909 B15R2.2302 COc1ccncc1c2sccc2C 271570a_100000734444_100011997281 [1,1,0,0,0,0|2,0,0]=4 2910 B15R2.2302 COc1ccncc1c2sccc2C 271570a_100011830476_100000742657 [1,1,0,0,0,0|2,0,0]=4 2911 B15R2.2302 COc1cnccc1c2sccc2Br 271570a_100000084644_100012361411 [1,1,0,0,0,0|2,0,0]=4 2912 B15R2.2302 COc1cnccc1c2sccc2C 271570a_100000084644_100000742657 [1,1,0,0,0,0|2,0,0]=4 2913 B15R2.2302 COc1cnccc1c2sccc2C 271570a_100000734444_100016988167 [1,1,0,0,0,0|2,0,0]=4 2914 B15R2.2302 COc1ncccc1c2sccc2Br 271570a_100011290909_100012361411 [1,1,0,0,0,0|2,0,0]=4 2915 B15R2.2302 COc1ncccc1c2sccc2C 271570a_100000734444_100000047025 [1,1,0,0,0,0|2,0,0]=4 2916 B15R2.2302 COc1ncccc1c2sccc2C 271570a_100011290909_100000742657 [1,1,0,0,0,0|2,0,0]=4 2917 B15R2.2302 CSc1ccccc1c2cccn2C 271570a_100000068268_100011217816 [1,1,0,0,0,0|2,0,0]=4 2918 B15R2.2302 CSc1ccccc1c2sccc2Br 271570a_100011218165_100012361411 [1,1,0,0,0,0|1,0,0]=3 2919 B15R2.2302 CSc1ccccc1c2sccc2C 271570a_100000734444_100011217816 [1,1,0,0,0,0|1,0,0]=3 2920 B15R2.2302 CSc1ccccc1c2sccc2C 271570a_100011218165_100000742657 [1,1,0,0,0,0|1,0,0]=3 2921 B15R2.2302 CSc1ccccc1c2scnc2C 271570a_100010115231_100011217816 [1,1,0,0,0,0|2,0,0]=4 2922 B15R2.2302 CSc1ccccc1c2scnc2C 271570a_100011218165_100009817116 [1,1,0,0,0,0|2,0,0]=4 2923 B15R2.2302 CSc1ncccc1c2sccc2C 271570a_100000734444_100011465278 [1,1,0,0,0,0|2,0,0]=4 2924 B15R2.2302 Cc1[nH]cnc1c2ccccc2CN 271570a_100020632975_100009816806 [1,1,0,0,0,0|2,0,0]=4 2925 B15R2.2302 Cc1c[nH]nc1c2ccccc2CN 271570a_100020632975_100009871783 [1,1,0,0,0,0|2,0,0]=4 2926 B15R2.2302 Cc1c[nH]nc1c2ccccc2CN 271570a_100102527747_100000689332 [1,1,0,0,0,0|2,0,0]=4 2927 B15R2.2302 Cc1ccsc1c2ccccc2C#N 271570a_100000043008_100000742657 [1,1,0,0,0,0|0,0,2]=4 2928 B15R2.2302 Cc1ccsc1c2ccccc2C#N 271570a_100000734444_100000188569 [1,1,0,0,0,0|0,0,2]=4 2929 B15R2.2302 Cc1ccsc1c2ccccc2C=O 271570a_100000734444_100000211189 [1,1,0,0,0,0|1,0,1]=4 2930 B15R2.2302 Cc1ccsc1c2ccccc2C=O 271570a_100000740022_100000742657 [1,1,0,0,0,0|1,0,1]=4 2931 B15R2.2302 Cc1ccsc1c2ccccc2CN 271570a_100000734444_100000689332 [1,1,0,0,0,0|0,0,0]=2 2932 B15R2.2302 Cc1ccsc1c2ccccc2CN 271570a_100020632975_100000742657 [1,1,0,0,0,0|0,0,0]=2 2933 B15R2.2302 Cc1ccsc1c2ccccc2CO 271570a_100000066922_100000742657 [1,1,0,0,0,0|1,0,0]=3 2934 B15R2.2302 Cc1ccsc1c2ccccc2CO 271570a_100000734444_100000187465 [1,1,0,0,0,0|1,0,0]=3 2935 B15R2.2302 Cc1ccsc1c2ccccc2NN 271570a_100000734444_100000241748 [1,1,0,0,0,0|1,0,0]=3 2936 B15R2.2302 Cc1ccsc1c2cccnc2CN 271570a_100000734444_100020591323 [1,1,0,0,0,0|1,0,0]=3 2937 B15R2.2302 Cc1ccsc1c2cccnc2CO 271570a_100000734444_100011996772 [1,1,0,0,0,0|2,0,0]=4 2938 B15R2.2302 Cc1ccsc1c2cccnc2NN 271570a_100000734444_100011464834 [1,1,0,0,0,0|2,0,0]=4 2939 B15R2.2302 Cc1ccsc1c2ccncc2CO 271570a_100000734444_100000117392 [1,1,0,0,0,0|2,0,0]=4 2940 B15R2.2302 Cc1ccsc1c2cnccc2CN 271570a_100000734444_100020640021 [1,1,0,0,0,0|1,0,0]=3 2941 B15R2.2302 Cc1ccsc1c2cnccc2CO 271570a_100000734444_100009873359 [1,1,0,0,0,0|2,0,0]=4 2942 B15R2.2302 Cc1ccsc1c2cnccc2NN 271570a_100000734444_100013404636 [1,1,0,0,0,0|2,0,0]=4 2943 B15R2.2302 Cc1ccsc1c2ncccc2CN 271570a_100000734444_100015189234 [1,1,0,0,0,0|1,0,0]=3 2944 B15R2.2302 Cc1ccsc1c2ncccc2CO 271570a_100000734444_100000748726 [1,1,0,0,0,0|2,0,0]=4 2945 B15R2.2302 Cc1ccsc1c2nccnc2CN 271570a_100000734444_100000729963 [1,1,0,0,0,0|2,0,0]=4 2946 B15R2.2302 Cc1cscc1c2ccccc2CN 271570a_100000069996_100000689332 [1,1,0,0,0,0|2,0,0]=4 2947 B15R2.2302 Cc1cscc1c2ccccc2CN 271570a_100020632975_100000759966 [1,1,0,0,0,0|2,0,0]=4 2948 B15R2.2302 Cc1ncsc1c2ccccc2CN 271570a_100010115231_100000689332 [1,1,0,0,0,0|1,0,0]=3 2949 B15R2.2302 Cc1ncsc1c2ccccc2CN 271570a_100020632975_100009817116 [1,1,0,0,0,0|1,0,0]=3 2950 B15R2.2302 Cc1ncsc1c2ccccc2CO 271570a_100000066922_100009817116 [1,1,0,0,0,0|2,0,0]=4 2951 B15R2.2302 Cc1ncsc1c2ccccc2CO 271570a_100010115231_100000187465 [1,1,0,0,0,0|2,0,0]=4 2952 B15R2.2302 Cc1ncsc1c2ccccc2NN 271570a_100010115231_100000241748 [1,1,0,0,0,0|2,0,0]=4 2953 B15R2.2302 Cc1ncsc1c2cccnc2CN 271570a_100010115231_100020591323 [1,1,0,0,0,0|2,0,0]=4 2954 B15R2.2302 Cc1ncsc1c2cnccc2CN 271570a_100010115231_100020640021 [1,1,0,0,0,0|2,0,0]=4 2955 B15R2.2302 Cc1ncsc1c2ncccc2CN 271570a_100010115231_100015189234 [1,1,0,0,0,0|2,0,0]=4 2956 B15R2.2302 Cc1occc1c2ccccc2CN 271570a_100000070625_100000689332 [1,1,0,0,0,0|2,0,0]=4 2957 B15R2.2302 Cc1sccc1c2ccccc2CN 271570a_100012356473_100000689332 [1,1,0,0,0,0|2,0,0]=4 2958 B15R2.2302 Cc1sccc1c2ccccc2CN 271570a_100020632975_100000684487 [1,1,0,0,0,0|2,0,0]=4 2959 B15R2.2302 Cc1scnc1c2ccccc2CN 271570a_100020632975_100000732656 [1,1,0,0,0,0|2,0,0]=4 2960 B15R2.2302 Cn1cccc1c2ccccc2CN 271570a_100000068268_100000689332 [1,1,0,0,0,0|1,0,0]=3 2961 B15R2.2302 Cn1cccc1c2ccccc2CO 271570a_100000068268_100000187465 [1,1,0,0,0,0|2,0,0]=4 2962 B15R2.2302 Cn1cccc1c2ccccc2NN 271570a_100000068268_100000241748 [1,1,0,0,0,0|2,0,0]=4 2963 B15R2.2302 Cn1cccc1c2cccnc2CN 271570a_100000068268_100020591323 [1,1,0,0,0,0|2,0,0]=4 2964 B15R2.2302 Cn1cccc1c2cnccc2CN 271570a_100000068268_100020640021 [1,1,0,0,0,0|2,0,0]=4 2965 B15R2.2302 Cn1cccc1c2ncccc2CN 271570a_100000068268_100015189234 [1,1,0,0,0,0|2,0,0]=4 2966 B15R2.2302 Cn1ccnc1c2ccccc2CN 271570a_100020632975_100000707724 [1,1,0,0,0,0|2,0,0]=4 2967 B15R2.2302 Cn1cncc1c2ccccc2CN 271570a_100009892668_100000689332 [1,1,0,0,0,0|2,0,0]=4 2968 B15R2.2302 Cn1cncc1c2ccccc2CN 271570a_100020632975_100009814087 [1,1,0,0,0,0|2,0,0]=4 2969 B15R2.2302 Cn1nccc1c2ccccc2CN 271570a_100000707534_100000689332 [1,1,0,0,0,0|2,0,0]=4 2970 B15R2.2302 Cn1nccc1c2ccccc2CN 271570a_100020632975_100000688441 [1,1,0,0,0,0|2,0,0]=4 2971 B15R2.2302 N#Cc1ccccc1c2sccc2Br 271570a_100000043008_100012361411 [1,1,0,0,0,0|0,0,2]=4 2972 B15R2.2302 NCc1ccccc1c2[nH]cnc2Cl 271570a_100020632975_100010200774 [1,1,0,0,0,0|2,0,0]=4 2973 B15R2.2302 NCc1ccccc1c2ccsc2Cl 271570a_100000117213_100000689332 [1,1,0,0,0,0|2,0,0]=4 2974 B15R2.2302 NCc1ccccc1c2cscc2Br 271570a_100020632975_100010143727 [1,1,0,0,0,0|2,0,0]=4 2975 B15R2.2302 NCc1ccccc1c2n[nH]cc2Br 271570a_100020632975_100015839836 [1,1,0,0,0,0|2,0,0]=4 2976 B15R2.2302 NCc1ccccc1c2n[nH]cc2N 271570a_100020632975_100010894806 [1,1,0,0,0,0|2,0,0]=4 2977 B15R2.2302 NCc1ccccc1c2sccc2Br 271570a_100020632975_100012361411 [1,1,0,0,0,0|0,0,0]=2 2978 B15R2.2302 O=Cc1ccccc1c2sccc2Br 271570a_100000740022_100012361411 [1,1,0,0,0,0|1,0,1]=4 2979 B15R2.2302 OCc1ccccc1c2sccc2Br 271570a_100000066922_100012361411 [1,1,0,0,0,0|1,0,0]=3 2980 B15R2.2493 CCc1cccc(c1c2cc[nH]c2)C 271570a_100000102155_100000036235 [1,1,0,0,0,0|2,0,0]=4 2981 B15R2.2493 CCc1cccc(c1c2cc[nH]n2)C 271570a_100000062414_100000036235 [1,1,0,0,0,0|2,0,0]=4 2982 B15R2.2493 CCc1cccc(c1c2ccco2)C 271570a_100000750936_100000036235 [1,1,0,0,0,0|0,1,0]=3 2983 B15R2.2493 CCc1cccc(c1c2cccs2)C 271570a_100000742291_100000036235 [1,1,0,0,0,0|0,0,0]=2 2984 B15R2.2493 CCc1cccc(c1c2ccoc2)C 271570a_100011218838_100000036235 [1,1,0,0,0,0|2,0,0]=4 2985 B15R2.2493 CCc1cccc(c1c2ccsc2)C 271570a_100011934443_100000036235 [1,1,0,0,0,0|2,0,0]=4 2986 B15R2.2493 CCc1cccc(c1c2cncs2)C 271570a_100010231675_100000036235 [1,1,0,0,0,0|1,0,0]=3 2987 B15R2.2493 CCc1cccc(c1c2ncc[nH]2)C 271570a_100016988920_100000036235 [1,1,0,0,0,0|2,0,0]=4 2988 B15R2.2493 COc1cccc(c1c2ccco2)Br 271570a_100000750936_100010131421 [1,1,0,0,0,0|1,1,0]=4 2989 B15R2.2493 COc1cccc(c1c2ccco2)Cl 271570a_100000049456_100009814098 [1,1,0,0,0,0|1,1,0]=4 2990 B15R2.2493 COc1cccc(c1c2ccco2)F 271570a_100000750936_100000041735 [1,1,0,0,0,0|1,1,0]=4 2991 B15R2.2493 COc1cccc(c1c2ccco2)F 271570a_100010082979_100009814098 [1,1,0,0,0,0|1,1,0]=4 2992 B15R2.2493 COc1cccc(c1c2ccco2)N 271570a_100000750936_100000703447 [1,1,0,0,0,0|1,1,0]=4 2993 B15R2.2493 COc1cccc(c1c2ccco2)O 271570a_100000750936_100010202623 [1,1,0,0,0,0|1,1,0]=4 2994 B15R2.2493 COc1cccc(c1c2cccs2)Br 271570a_100000742291_100010131421 [1,1,0,0,0,0|1,0,0]=3 2995 B15R2.2493 COc1cccc(c1c2cccs2)Cl 271570a_100000049456_100011215356 [1,1,0,0,0,0|1,0,0]=3 2996 B15R2.2493 COc1cccc(c1c2cccs2)F 271570a_100000742291_100000041735 [1,1,0,0,0,0|1,0,0]=3 2997 B15R2.2493 COc1cccc(c1c2cccs2)F 271570a_100010082979_100011215356 [1,1,0,0,0,0|1,0,0]=3 2998 B15R2.2493 COc1cccc(c1c2cccs2)N 271570a_100000742291_100000703447 [1,1,0,0,0,0|1,0,0]=3 2999 B15R2.2493 COc1cccc(c1c2cccs2)O 271570a_100000742291_100010202623 [1,1,0,0,0,0|1,0,0]=3 3000 B15R2.2493 COc1cccc(c1c2cncs2)Br 271570a_100010231675_100010131421 [1,1,0,0,0,0|2,0,0]=4 3001 B15R2.2493 COc1cccc(c1c2cncs2)Cl 271570a_100000049456_100011934649 [1,1,0,0,0,0|2,0,0]=4 3002 B15R2.2493 COc1cccc(c1c2cncs2)F 271570a_100010082979_100011934649 [1,1,0,0,0,0|2,0,0]=4 3003 B15R2.2493 COc1cccc(c1c2cncs2)F 271570a_100010231675_100000041735 [1,1,0,0,0,0|2,0,0]=4 3004 B15R2.2493 COc1cccc(c1c2cncs2)N 271570a_100010231675_100000703447 [1,1,0,0,0,0|2,0,0]=4 3005 B15R2.2493 COc1cccc(c1c2cncs2)O 271570a_100010231675_100010202623 [1,1,0,0,0,0|2,0,0]=4 3006 B15R2.2493 COc1cccc(c1c2nccs2)Cl 271570a_100000049456_100000211983 [1,1,0,0,0,0|2,0,0]=4 3007 B15R2.2493 COc1cccc(c1c2nccs2)F 271570a_100010082979_100000211983 [1,1,0,0,0,0|2,0,0]=4 3008 B15R2.2493 COc1nccc(c1c2cccs2)C 271570a_100000742291_100012353928 [1,1,0,0,0,0|2,0,0]=4 3009 B15R2.2493 COc1nccc(c1c2cccs2)C 271570a_100010082537_100011215356 [1,1,0,0,0,0|2,0,0]=4 3010 B15R2.2493 COc1nccc(c1c2cccs2)N 271570a_100000742291_100010243811 [1,1,0,0,0,0|2,0,0]=4 3011 B15R2.2493 Cc1cccc(c1c2ccco2)CO 271570a_100000750936_100011659289 [1,1,0,0,0,0|1,1,0]=4 3012 B15R2.2493 Cc1cccc(c1c2cccs2)C#N 271570a_100000742291_100011934862 [1,1,0,0,0,0|0,0,2]=4 3013 B15R2.2493 Cc1cccc(c1c2cccs2)CO 271570a_100000742291_100011659289 [1,1,0,0,0,0|1,0,0]=3 3014 B15R2.2493 Cc1cccc(c1c2cncs2)CO 271570a_100010231675_100011659289 [1,1,0,0,0,0|2,0,0]=4 3015 B15R2.2493 N#Cc1cccc(c1c2cccs2)Br 271570a_100000742291_100000703783 [1,1,0,0,0,0|0,0,2]=4 3016 B15R2.2493 N#Cc1cccc(c1c2cccs2)Cl 271570a_100000742291_100010134094 [1,1,0,0,0,0|0,0,2]=4 3017 B15R2.2493 N#Cc1cccc(c1c2cccs2)F 271570a_100000742291_100011219237 [1,1,0,0,0,0|0,0,2]=4 3018 B15R2.2493 N#Cc1cccc(c1c2cccs2)N 271570a_100000742291_100009877206 [1,1,0,0,0,0|0,0,2]=4 3019 B15R2.2493 N#Cc1cccc(c1c2cccs2)O 271570a_100000742291_100009818990 [1,1,0,0,0,0|0,0,2]=4 3020 B15R2.2493 O=Cc1cccc(c1c2cccs2)F 271570a_100000742291_100011998484 [1,1,0,0,0,0|1,0,1]=4 3021 B15R2.2493 O=Cc1cccc(c1c2cccs2)O 271570a_100000742291_100009816417 [1,1,0,0,0,0|1,0,1]=4 3022 B15R2.2493 OCc1cccc(c1c2ccco2)Br 271570a_100000750936_100010146604 [1,1,0,0,0,0|1,1,0]=4 3023 B15R2.2493 OCc1cccc(c1c2ccco2)F 271570a_100000750936_100000692438 [1,1,0,0,0,0|1,1,0]=4 3024 B15R2.2493 OCc1cccc(c1c2cccs2)Br 271570a_100000742291_100010146604 [1,1,0,0,0,0|1,0,0]=3 3025 B15R2.2493 OCc1cccc(c1c2cccs2)F 271570a_100000742291_100000692438 [1,1,0,0,0,0|1,0,0]=3 3026 B15R2.2493 OCc1cccc(c1c2cncs2)Br 271570a_100010231675_100010146604 [1,1,0,0,0,0|2,0,0]=4 3027 B15R2.2493 OCc1cccc(c1c2cncs2)F 271570a_100010231675_100000692438 [1,1,0,0,0,0|2,0,0]=4 3028 B15R2.4334 CCc1cnc(cc1c2ccco2)C 271570a_100000750936_100010291839 [1,1,0,0,0,0|1,1,0]=4 3029 B15R2.4334 CCc1cnc(cc1c2cccs2)C 271570a_100000742291_100010291839 [1,1,0,0,0,0|1,0,0]=3 3030 B15R2.4334 CCc1cnc(cc1c2cncs2)C 271570a_100010231675_100010291839 [1,1,0,0,0,0|2,0,0]=4 3031 B15R2.4334 CCc1cnc(nc1c2cccs2)C 271570a_100000742291_200000069817 [1,1,0,0,0,0|2,0,0]=4 3032 B15R2.4334 CCc1ncc(cc1c2ccco2)N 271570a_100000750936_100013085292 [1,1,0,0,0,0|1,1,0]=4 3033 B15R2.4334 CCc1ncc(cc1c2cccs2)N 271570a_100000742291_100013085292 [1,1,0,0,0,0|1,0,0]=3 3034 B15R2.4334 CCc1ncc(cc1c2cncs2)N 271570a_100010231675_100013085292 [1,1,0,0,0,0|2,0,0]=4 3035 B15R2.4334 CNc1ccc(cc1c2cc[nH]c2)C 271570a_100000102155_100000221369 [1,1,0,0,0,0|2,0,0]=4 3036 B15R2.4334 CNc1ccc(cc1c2cc[nH]c2)F 271570a_100000102155_100011246292 [1,1,0,0,0,0|2,0,0]=4 3037 B15R2.4334 CNc1ccc(cc1c2cc[nH]n2)C 271570a_100000062414_100000221369 [1,1,0,0,0,0|2,0,0]=4 3038 B15R2.4334 CNc1ccc(cc1c2cc[nH]n2)F 271570a_100000062414_100011246292 [1,1,0,0,0,0|2,0,0]=4 3039 B15R2.4334 CNc1ccc(cc1c2ccco2)C 271570a_100000750936_100000221369 [1,1,0,0,0,0|0,1,0]=3 3040 B15R2.4334 CNc1ccc(cc1c2ccco2)F 271570a_100000750936_100011246292 [1,1,0,0,0,0|0,1,0]=3 3041 B15R2.4334 CNc1ccc(cc1c2cccs2)C 271570a_100000742291_100000221369 [1,1,0,0,0,0|0,0,0]=2 3042 B15R2.4334 CNc1ccc(cc1c2cccs2)F 271570a_100000742291_100011246292 [1,1,0,0,0,0|0,0,0]=2 3043 B15R2.4334 CNc1ccc(cc1c2ccoc2)C 271570a_100011218838_100000221369 [1,1,0,0,0,0|2,0,0]=4 3044 B15R2.4334 CNc1ccc(cc1c2ccoc2)F 271570a_100011218838_100011246292 [1,1,0,0,0,0|2,0,0]=4 3045 B15R2.4334 CNc1ccc(cc1c2ccsc2)C 271570a_100011934443_100000221369 [1,1,0,0,0,0|2,0,0]=4 3046 B15R2.4334 CNc1ccc(cc1c2ccsc2)F 271570a_100011934443_100011246292 [1,1,0,0,0,0|2,0,0]=4 3047 B15R2.4334 CNc1ccc(cc1c2cncs2)C 271570a_100010231675_100000221369 [1,1,0,0,0,0|1,0,0]=3 3048 B15R2.4334 CNc1ccc(cc1c2cncs2)F 271570a_100010231675_100011246292 [1,1,0,0,0,0|1,0,0]=3 3049 B15R2.4334 CNc1ccc(cc1c2ncc[nH]2)C 271570a_100016988920_100000221369 [1,1,0,0,0,0|2,0,0]=4 3050 B15R2.4334 CNc1ccc(cc1c2ncc[nH]2)F 271570a_100016988920_100011246292 [1,1,0,0,0,0|2,0,0]=4 3051 B15R2.4334 COc1c[nH]c(=O)cc1c2cccs2 271570a_100000742291_100121573661 [1,1,0,0,0,0|2,0,0]=4 3052 B15R2.4334 COc1ccc(cc1c2ccco2)Br 271570a_100000750936_100012351588 [1,1,0,0,0,0|1,1,0]=4 3053 B15R2.4334 COc1ccc(cc1c2ccco2)C 271570a_100000186402_100009814098 [1,1,0,0,0,0|1,1,0]=4 3054 B15R2.4334 COc1ccc(cc1c2ccco2)C 271570a_100000750936_100000186399 [1,1,0,0,0,0|1,1,0]=4 3055 B15R2.4334 COc1ccc(cc1c2ccco2)Cl 271570a_100000750936_100011215930 [1,1,0,0,0,0|1,1,0]=4 3056 B15R2.4334 COc1ccc(cc1c2ccco2)Cl 271570a_100012617322_100009814098 [1,1,0,0,0,0|1,1,0]=4 3057 B15R2.4334 COc1ccc(cc1c2ccco2)F 271570a_100000750936_100000171694 [1,1,0,0,0,0|1,1,0]=4 3058 B15R2.4334 COc1ccc(cc1c2ccco2)F 271570a_100000756379_100009814098 [1,1,0,0,0,0|1,1,0]=4 3059 B15R2.4334 COc1ccc(cc1c2ccco2)I 271570a_100010144189_100009814098 [1,1,0,0,0,0|1,1,0]=4 3060 B15R2.4334 COc1ccc(cc1c2ccco2)N 271570a_100000750936_100000187427 [1,1,0,0,0,0|1,1,0]=4 3061 B15R2.4334 COc1ccc(cc1c2ccco2)O 271570a_100000750936_100010084122 [1,1,0,0,0,0|1,1,0]=4 3062 B15R2.4334 COc1ccc(cc1c2ccco2)O 271570a_100010081581_100009814098 [1,1,0,0,0,0|1,1,0]=4 3063 B15R2.4334 COc1ccc(cc1c2cccs2)Br 271570a_100000742291_100012351588 [1,1,0,0,0,0|1,0,0]=3 3064 B15R2.4334 COc1ccc(cc1c2cccs2)C 271570a_100000186402_100011215356 [1,1,0,0,0,0|1,0,0]=3 3065 B15R2.4334 COc1ccc(cc1c2cccs2)C 271570a_100000742291_100000186399 [1,1,0,0,0,0|1,0,0]=3 3066 B15R2.4334 COc1ccc(cc1c2cccs2)Cl 271570a_100000742291_100011215930 [1,1,0,0,0,0|1,0,0]=3 3067 B15R2.4334 COc1ccc(cc1c2cccs2)Cl 271570a_100012617322_100011215356 [1,1,0,0,0,0|1,0,0]=3 3068 B15R2.4334 COc1ccc(cc1c2cccs2)F 271570a_100000742291_100000171694 [1,1,0,0,0,0|1,0,0]=3 3069 B15R2.4334 COc1ccc(cc1c2cccs2)F 271570a_100000756379_100011215356 [1,1,0,0,0,0|1,0,0]=3 3070 B15R2.4334 COc1ccc(cc1c2cccs2)I 271570a_100010144189_100011215356 [1,1,0,0,0,0|1,0,0]=3 3071 B15R2.4334 COc1ccc(cc1c2cccs2)N 271570a_100000742291_100000187427 [1,1,0,0,0,0|1,0,0]=3 3072 B15R2.4334 COc1ccc(cc1c2cccs2)O 271570a_100000742291_100010084122 [1,1,0,0,0,0|1,0,0]=3 3073 B15R2.4334 COc1ccc(cc1c2cccs2)O 271570a_100010081581_100011215356 [1,1,0,0,0,0|1,0,0]=3 3074 B15R2.4334 COc1ccc(cc1c2cncs2)Br 271570a_100010231675_100012351588 [1,1,0,0,0,0|2,0,0]=4 3075 B15R2.4334 COc1ccc(cc1c2cncs2)C 271570a_100000186402_100011934649 [1,1,0,0,0,0|2,0,0]=4 3076 B15R2.4334 COc1ccc(cc1c2cncs2)C 271570a_100010231675_100000186399 [1,1,0,0,0,0|2,0,0]=4 3077 B15R2.4334 COc1ccc(cc1c2cncs2)Cl 271570a_100010231675_100011215930 [1,1,0,0,0,0|2,0,0]=4 3078 B15R2.4334 COc1ccc(cc1c2cncs2)Cl 271570a_100012617322_100011934649 [1,1,0,0,0,0|2,0,0]=4 3079 B15R2.4334 COc1ccc(cc1c2cncs2)F 271570a_100000756379_100011934649 [1,1,0,0,0,0|2,0,0]=4 3080 B15R2.4334 COc1ccc(cc1c2cncs2)F 271570a_100010231675_100000171694 [1,1,0,0,0,0|2,0,0]=4 3081 B15R2.4334 COc1ccc(cc1c2cncs2)I 271570a_100010144189_100011934649 [1,1,0,0,0,0|2,0,0]=4 3082 B15R2.4334 COc1ccc(cc1c2cncs2)N 271570a_100010231675_100000187427 [1,1,0,0,0,0|2,0,0]=4 3083 B15R2.4334 COc1ccc(cc1c2cncs2)O 271570a_100010081581_100011934649 [1,1,0,0,0,0|2,0,0]=4 3084 B15R2.4334 COc1ccc(cc1c2cncs2)O 271570a_100010231675_100010084122 [1,1,0,0,0,0|2,0,0]=4 3085 B15R2.4334 COc1ccc(cc1c2nccs2)C 271570a_100000186402_100000211983 [1,1,0,0,0,0|2,0,0]=4 3086 B15R2.4334 COc1ccc(cc1c2nccs2)Cl 271570a_100012617322_100000211983 [1,1,0,0,0,0|2,0,0]=4 3087 B15R2.4334 COc1ccc(cc1c2nccs2)F 271570a_100000756379_100000211983 [1,1,0,0,0,0|2,0,0]=4 3088 B15R2.4334 COc1ccc(cc1c2nccs2)I 271570a_100010144189_100000211983 [1,1,0,0,0,0|2,0,0]=4 3089 B15R2.4334 COc1ccc(cc1c2nccs2)O 271570a_100010081581_100000211983 [1,1,0,0,0,0|2,0,0]=4 3090 B15R2.4334 COc1ccc(nc1c2cccs2)C 271570a_100000742291_100009820875 [1,1,0,0,0,0|2,0,0]=4 3091 B15R2.4334 COc1ccc(nc1c2cccs2)N 271570a_100000742291_100010172607 [1,1,0,0,0,0|2,0,0]=4 3092 B15R2.4334 COc1cnc(cc1c2cccs2)C 271570a_100000742291_100010109759 [1,1,0,0,0,0|2,0,0]=4 3093 B15R2.4334 COc1cnc(cc1c2cccs2)Cl 271570a_100000097473_100011215356 [1,1,0,0,0,0|2,0,0]=4 3094 B15R2.4334 COc1ncc(cc1c2cccs2)Br 271570a_100000742291_100009814608 [1,1,0,0,0,0|2,0,0]=4 3095 B15R2.4334 COc1ncc(cc1c2cccs2)Br 271570a_200009814610_100011215356 [1,1,0,0,0,0|2,0,0]=4 3096 B15R2.4334 COc1ncc(cc1c2cccs2)C 271570a_100000742291_100012353929 [1,1,0,0,0,0|2,0,0]=4 3097 B15R2.4334 COc1ncc(cc1c2cccs2)C 271570a_100010168195_100011215356 [1,1,0,0,0,0|2,0,0]=4 3098 B15R2.4334 COc1ncc(cc1c2cccs2)Cl 271570a_100000081274_100011215356 [1,1,0,0,0,0|2,0,0]=4 3099 B15R2.4334 COc1ncc(cc1c2cccs2)F 271570a_100000742291_100009828472 [1,1,0,0,0,0|2,0,0]=4 3100 B15R2.4334 COc1ncc(cc1c2cccs2)F 271570a_100010187659_100011215356 [1,1,0,0,0,0|2,0,0]=4 3101 B15R2.4334 COc1ncc(cc1c2cccs2)N 271570a_100000742291_100012351452 [1,1,0,0,0,0|2,0,0]=4 3102 B15R2.4334 CSc1ccc(cc1c2ccco2)C 271570a_100000750936_200010201864 [1,1,0,0,0,0|1,1,0]=4 3103 B15R2.4334 CSc1ccc(cc1c2ccco2)Cl 271570a_203550257821_100009814098 [1,1,0,0,0,0|1,1,0]=4 3104 B15R2.4334 CSc1ccc(cc1c2ccco2)F 271570a_100000750936_100009817003 [1,1,0,0,0,0|1,1,0]=4 3105 B15R2.4334 CSc1ccc(cc1c2cccs2)C 271570a_100000742291_200010201864 [1,1,0,0,0,0|1,0,0]=3 3106 B15R2.4334 CSc1ccc(cc1c2cccs2)Cl 271570a_203550257821_100011215356 [1,1,0,0,0,0|1,0,0]=3 3107 B15R2.4334 CSc1ccc(cc1c2cccs2)F 271570a_100000742291_100009817003 [1,1,0,0,0,0|1,0,0]=3 3108 B15R2.4334 CSc1ccc(cc1c2cncs2)C 271570a_100010231675_200010201864 [1,1,0,0,0,0|2,0,0]=4 3109 B15R2.4334 CSc1ccc(cc1c2cncs2)Cl 271570a_203550257821_100011934649 [1,1,0,0,0,0|2,0,0]=4 3110 B15R2.4334 CSc1ccc(cc1c2cncs2)F 271570a_100010231675_100009817003 [1,1,0,0,0,0|2,0,0]=4 3111 B15R2.4334 CSc1ccc(cc1c2nccs2)Cl 271570a_203550257821_100000211983 [1,1,0,0,0,0|2,0,0]=4 3112 B15R2.4334 CSc1ncc(cc1c2cccs2)Cl 271570a_200010732566_100011215356 [1,1,0,0,0,0|2,0,0]=4 3113 B15R2.4334 Cc1ccc(c(c1)c2ccco2)NN 271570a_100000750936_100016996181 [1,1,0,0,0,0|1,1,0]=4 3114 B15R2.4334 Cc1ccc(c(c1)c2cccs2)C#N 271570a_100000742291_100000693804 [1,1,0,0,0,0|0,0,2]=4 3115 B15R2.4334 Cc1ccc(c(c1)c2cccs2)C=O 271570a_100000117001_100011215356 [1,1,0,0,0,0|1,0,1]=4 3116 B15R2.4334 Cc1ccc(c(c1)c2cccs2)C=O 271570a_100000742291_100000692596 [1,1,0,0,0,0|1,0,1]=4 3117 B15R2.4334 Cc1ccc(c(c1)c2cccs2)NN 271570a_100000742291_100016996181 [1,1,0,0,0,0|1,0,0]=3 3118 B15R2.4334 Cc1ccc(c(c1)c2cncs2)NN 271570a_100010231675_100016996181 [1,1,0,0,0,0|2,0,0]=4 3119 B15R2.4334 Cc1ccc(c(n1)c2cccs2)CO 271570a_100000742291_102495338573 [1,1,0,0,0,0|2,0,0]=4 3120 B15R2.4334 Cc1cnc(c(c1)c2cccs2)NN 271570a_100000742291_100012357580 [1,1,0,0,0,0|2,0,0]=4 3121 B15R2.4334 N#Cc1ccc(cc1c2cccs2)Br 271570a_100000742291_100010214477 [1,1,0,0,0,0|0,0,2]=4 3122 B15R2.4334 N#Cc1ccc(cc1c2cccs2)Cl 271570a_100000742291_100012355178 [1,1,0,0,0,0|0,0,2]=4 3123 B15R2.4334 N#Cc1ccc(cc1c2cccs2)F 271570a_100000708856_100011215356 [1,1,0,0,0,0|0,0,2]=4 3124 B15R2.4334 N#Cc1ccc(cc1c2cccs2)F 271570a_100000742291_100000747196 [1,1,0,0,0,0|0,0,2]=4 3125 B15R2.4334 N#Cc1ccc(cc1c2cccs2)N 271570a_100000742291_100000689153 [1,1,0,0,0,0|0,0,2]=4 3126 B15R2.4334 N#Cc1ccc(cc1c2cccs2)O 271570a_100000742291_100012184851 [1,1,0,0,0,0|0,0,2]=4 3127 B15R2.4334 NCc1ccc(cc1c2c[nH]cn2)F 271570a_200010042773_100000756875 [1,1,0,0,0,0|2,0,0]=4 3128 B15R2.4334 NCc1ccc(cc1c2cc[nH]c2)F 271570a_100000102155_100000708791 [1,1,0,0,0,0|2,0,0]=4 3129 B15R2.4334 NCc1ccc(cc1c2cc[nH]n2)F 271570a_100000062414_100000708791 [1,1,0,0,0,0|2,0,0]=4 3130 B15R2.4334 NCc1ccc(cc1c2cc[nH]n2)F 271570a_200010042773_100000062575 [1,1,0,0,0,0|2,0,0]=4 3131 B15R2.4334 NCc1ccc(cc1c2ccco2)F 271570a_100000750936_100000708791 [1,1,0,0,0,0|0,1,0]=3 3132 B15R2.4334 NCc1ccc(cc1c2ccco2)F 271570a_200010042773_100009814098 [1,1,0,0,0,0|0,1,0]=3 3133 B15R2.4334 NCc1ccc(cc1c2cccs2)F 271570a_100000742291_100000708791 [1,1,0,0,0,0|0,0,0]=2 3134 B15R2.4334 NCc1ccc(cc1c2cccs2)F 271570a_200010042773_100011215356 [1,1,0,0,0,0|0,0,0]=2 3135 B15R2.4334 NCc1ccc(cc1c2ccoc2)F 271570a_100011218838_100000708791 [1,1,0,0,0,0|2,0,0]=4 3136 B15R2.4334 NCc1ccc(cc1c2ccoc2)F 271570a_200010042773_100011215275 [1,1,0,0,0,0|2,0,0]=4 3137 B15R2.4334 NCc1ccc(cc1c2ccsc2)F 271570a_100011934443_100000708791 [1,1,0,0,0,0|2,0,0]=4 3138 B15R2.4334 NCc1ccc(cc1c2ccsc2)F 271570a_200010042773_100000738268 [1,1,0,0,0,0|2,0,0]=4 3139 B15R2.4334 NCc1ccc(cc1c2ccsn2)F 271570a_200010042773_100009818082 [1,1,0,0,0,0|2,0,0]=4 3140 B15R2.4334 NCc1ccc(cc1c2cnco2)F 271570a_200010042773_100020591547 [1,1,0,0,0,0|1,1,0]=4 3141 B15R2.4334 NCc1ccc(cc1c2cncs2)F 271570a_100010231675_100000708791 [1,1,0,0,0,0|1,0,0]=3 3142 B15R2.4334 NCc1ccc(cc1c2cncs2)F 271570a_200010042773_100011934649 [1,1,0,0,0,0|1,0,0]=3 3143 B15R2.4334 NCc1ccc(cc1c2cscn2)F 271570a_200010042773_100000751502 [1,1,0,0,0,0|2,0,0]=4 3144 B15R2.4334 NCc1ccc(cc1c2ncc[nH]2)F 271570a_100016988920_100000708791 [1,1,0,0,0,0|2,0,0]=4 3145 B15R2.4334 NCc1ccc(cc1c2ncc[nH]2)F 271570a_200010042773_100025796157 [1,1,0,0,0,0|2,0,0]=4 3146 B15R2.4334 NCc1ccc(cc1c2ncco2)F 271570a_200010042773_100011787736 [1,1,0,0,0,0|1,1,0]=4 3147 B15R2.4334 NCc1ccc(cc1c2nccs2)F 271570a_200010042773_100000211983 [1,1,0,0,0,0|1,0,0]=3 3148 B15R2.4334 NCc1ccc(cc1c2ncns2)F 271570a_200010042773_100000693119 [1,1,0,0,0,0|2,0,0]=4 3149 B15R2.4334 NCc1ccc(cc1c2nncs2)F 271570a_200010042773_100000739804 [1,1,0,0,0,0|2,0,0]=4 3150 B15R2.4334 Nc1ccc(c(c1)c2ccco2)CO 271570a_100009972981_100009814098 [1,1,0,0,0,0|1,1,0]=4 3151 B15R2.4334 Nc1ccc(c(c1)c2cccs2)CO 271570a_100009972981_100011215356 [1,1,0,0,0,0|1,0,0]=3 3152 B15R2.4334 Nc1ccc(c(c1)c2cncs2)CO 271570a_100009972981_100011934649 [1,1,0,0,0,0|2,0,0]=4 3153 B15R2.4334 Nc1ccc(c(c1)c2nccs2)CO 271570a_100009972981_100000211983 [1,1,0,0,0,0|2,0,0]=4 3154 B15R2.4334 O=Cc1ccc(cc1c2cccs2)Br 271570a_100000742291_100010146562 [1,1,0,0,0,0|1,0,1]=4 3155 B15R2.4334 O=Cc1ccc(cc1c2cccs2)Cl 271570a_100010223337_100011215356 [1,1,0,0,0,0|1,0,1]=4 3156 B15R2.4334 O=Cc1ccc(cc1c2cccs2)F 271570a_100000097291_100011215356 [1,1,0,0,0,0|1,0,1]=4 3157 B15R2.4334 O=Cc1ccc(cc1c2cccs2)F 271570a_100000742291_100000752949 [1,1,0,0,0,0|1,0,1]=4 3158 B15R2.4334 O=Cc1ccc(cc1c2cccs2)O 271570a_100000742291_100011236494 [1,1,0,0,0,0|1,0,1]=4 3159 B15R2.4334 O=Cc1ccc(cc1c2cccs2)O 271570a_100010081635_100011215356 [1,1,0,0,0,0|1,0,1]=4 3160 B15R2.4334 OCc1ccc(cc1c2ccco2)Br 271570a_100000750936_100010146605 [1,1,0,0,0,0|1,1,0]=4 3161 B15R2.4334 OCc1ccc(cc1c2ccco2)Cl 271570a_100000750936_100000722340 [1,1,0,0,0,0|1,1,0]=4 3162 B15R2.4334 OCc1ccc(cc1c2ccco2)F 271570a_100000102659_100009814098 [1,1,0,0,0,0|1,1,0]=4 3163 B15R2.4334 OCc1ccc(cc1c2ccco2)F 271570a_100000750936_100000744086 [1,1,0,0,0,0|1,1,0]=4 3164 B15R2.4334 OCc1ccc(cc1c2ccco2)O 271570a_100000750936_100010146404 [1,1,0,0,0,0|1,1,0]=4 3165 B15R2.4334 OCc1ccc(cc1c2cccs2)Br 271570a_100000742291_100010146605 [1,1,0,0,0,0|1,0,0]=3 3166 B15R2.4334 OCc1ccc(cc1c2cccs2)Cl 271570a_100000742291_100000722340 [1,1,0,0,0,0|1,0,0]=3 3167 B15R2.4334 OCc1ccc(cc1c2cccs2)F 271570a_100000102659_100011215356 [1,1,0,0,0,0|1,0,0]=3 3168 B15R2.4334 OCc1ccc(cc1c2cccs2)F 271570a_100000742291_100000744086 [1,1,0,0,0,0|1,0,0]=3 3169 B15R2.4334 OCc1ccc(cc1c2cccs2)O 271570a_100000742291_100010146404 [1,1,0,0,0,0|1,0,0]=3 3170 B15R2.4334 OCc1ccc(cc1c2cncs2)Br 271570a_100010231675_100010146605 [1,1,0,0,0,0|2,0,0]=4 3171 B15R2.4334 OCc1ccc(cc1c2cncs2)Cl 271570a_100010231675_100000722340 [1,1,0,0,0,0|2,0,0]=4 3172 B15R2.4334 OCc1ccc(cc1c2cncs2)F 271570a_100000102659_100011934649 [1,1,0,0,0,0|2,0,0]=4 3173 B15R2.4334 OCc1ccc(cc1c2cncs2)F 271570a_100010231675_100000744086 [1,1,0,0,0,0|2,0,0]=4 3174 B15R2.4334 OCc1ccc(cc1c2cncs2)O 271570a_100010231675_100010146404 [1,1,0,0,0,0|2,0,0]=4 3175 B15R2.4334 OCc1ccc(cc1c2nccs2)F 271570a_100000102659_100000211983 [1,1,0,0,0,0|2,0,0]=4 3176 B15R2.5805 CNc1c(cccc1c2cc[nH]c2)N 271570a_100000102155_100010510394 [1,1,0,0,0,0|2,0,0]=4 3177 B15R2.5805 CNc1c(cccc1c2cc[nH]n2)N 271570a_100000062414_100010510394 [1,1,0,0,0,0|2,0,0]=4 3178 B15R2.5805 CNc1c(cccc1c2ccco2)N 271570a_100000750936_100010510394 [1,1,0,0,0,0|0,1,0]=3 3179 B15R2.5805 CNc1c(cccc1c2cccs2)N 271570a_100000742291_100010510394 [1,1,0,0,0,0|0,0,0]=2 3180 B15R2.5805 CNc1c(cccc1c2ccoc2)N 271570a_100011218838_100010510394 [1,1,0,0,0,0|2,0,0]=4 3181 B15R2.5805 CNc1c(cccc1c2ccsc2)N 271570a_100011934443_100010510394 [1,1,0,0,0,0|2,0,0]=4 3182 B15R2.5805 CNc1c(cccc1c2cncs2)N 271570a_100010231675_100010510394 [1,1,0,0,0,0|1,0,0]=3 3183 B15R2.5805 CNc1c(cccc1c2ncc[nH]2)N 271570a_100016988920_100010510394 [1,1,0,0,0,0|2,0,0]=4 3184 B15R2.5805 COc1c(cccc1c2ccco2)Br 271570a_100000750936_100010146560 [1,1,0,0,0,0|1,1,0]=4 3185 B15R2.5805 COc1c(cccc1c2ccco2)C 271570a_100000750936_100010141385 [1,1,0,0,0,0|1,1,0]=4 3186 B15R2.5805 COc1c(cccc1c2ccco2)C 271570a_200000084649_100009814098 [1,1,0,0,0,0|1,1,0]=4 3187 B15R2.5805 COc1c(cccc1c2ccco2)Cl 271570a_100000087864_100009814098 [1,1,0,0,0,0|1,1,0]=4 3188 B15R2.5805 COc1c(cccc1c2ccco2)Cl 271570a_100000750936_100010147678 [1,1,0,0,0,0|1,1,0]=4 3189 B15R2.5805 COc1c(cccc1c2ccco2)F 271570a_100000750936_100009816759 [1,1,0,0,0,0|1,1,0]=4 3190 B15R2.5805 COc1c(cccc1c2ccco2)F 271570a_100010082981_100009814098 [1,1,0,0,0,0|1,1,0]=4 3191 B15R2.5805 COc1c(cccc1c2ccco2)N 271570a_100000750936_100011935253 [1,1,0,0,0,0|1,1,0]=4 3192 B15R2.5805 COc1c(cccc1c2ccco2)O 271570a_100000750936_100010234590 [1,1,0,0,0,0|1,1,0]=4 3193 B15R2.5805 COc1c(cccc1c2cccs2)Br 271570a_100000742291_100010146560 [1,1,0,0,0,0|1,0,0]=3 3194 B15R2.5805 COc1c(cccc1c2cccs2)C 271570a_100000742291_100010141385 [1,1,0,0,0,0|1,0,0]=3 3195 B15R2.5805 COc1c(cccc1c2cccs2)C 271570a_200000084649_100011215356 [1,1,0,0,0,0|1,0,0]=3 3196 B15R2.5805 COc1c(cccc1c2cccs2)Cl 271570a_100000087864_100011215356 [1,1,0,0,0,0|1,0,0]=3 3197 B15R2.5805 COc1c(cccc1c2cccs2)Cl 271570a_100000742291_100010147678 [1,1,0,0,0,0|1,0,0]=3 3198 B15R2.5805 COc1c(cccc1c2cccs2)F 271570a_100000742291_100009816759 [1,1,0,0,0,0|1,0,0]=3 3199 B15R2.5805 COc1c(cccc1c2cccs2)F 271570a_100010082981_100011215356 [1,1,0,0,0,0|1,0,0]=3 3200 B15R2.5805 COc1c(cccc1c2cccs2)N 271570a_100000742291_100011935253 [1,1,0,0,0,0|1,0,0]=3 3201 B15R2.5805 COc1c(cccc1c2cccs2)O 271570a_100000742291_100010234590 [1,1,0,0,0,0|1,0,0]=3 3202 B15R2.5805 COc1c(cccc1c2cncs2)Br 271570a_100010231675_100010146560 [1,1,0,0,0,0|2,0,0]=4 3203 B15R2.5805 COc1c(cccc1c2cncs2)C 271570a_100010231675_100010141385 [1,1,0,0,0,0|2,0,0]=4 3204 B15R2.5805 COc1c(cccc1c2cncs2)C 271570a_200000084649_100011934649 [1,1,0,0,0,0|2,0,0]=4 3205 B15R2.5805 COc1c(cccc1c2cncs2)Cl 271570a_100000087864_100011934649 [1,1,0,0,0,0|2,0,0]=4 3206 B15R2.5805 COc1c(cccc1c2cncs2)Cl 271570a_100010231675_100010147678 [1,1,0,0,0,0|2,0,0]=4 3207 B15R2.5805 COc1c(cccc1c2cncs2)F 271570a_100010082981_100011934649 [1,1,0,0,0,0|2,0,0]=4 3208 B15R2.5805 COc1c(cccc1c2cncs2)F 271570a_100010231675_100009816759 [1,1,0,0,0,0|2,0,0]=4 3209 B15R2.5805 COc1c(cccc1c2cncs2)N 271570a_100010231675_100011935253 [1,1,0,0,0,0|2,0,0]=4 3210 B15R2.5805 COc1c(cccc1c2cncs2)O 271570a_100010231675_100010234590 [1,1,0,0,0,0|2,0,0]=4 3211 B15R2.5805 COc1c(cccc1c2nccs2)C 271570a_200000084649_100000211983 [1,1,0,0,0,0|2,0,0]=4 3212 B15R2.5805 COc1c(cccc1c2nccs2)Cl 271570a_100000087864_100000211983 [1,1,0,0,0,0|2,0,0]=4 3213 B15R2.5805 COc1c(cccc1c2nccs2)F 271570a_100010082981_100000211983 [1,1,0,0,0,0|2,0,0]=4 3214 B15R2.5805 COc1c(ccnc1C)c2cccs2 271570a_100000742291_100000685116 [1,1,0,0,0,0|2,0,0]=4 3215 B15R2.5805 COc1c(ccnc1Cl)c2cccs2 271570a_100000742291_100010068014 [1,1,0,0,0,0|2,0,0]=4 3216 B15R2.5805 COc1c(ccnc1Cl)c2cccs2 271570a_200009885677_100011215356 [1,1,0,0,0,0|2,0,0]=4 3217 B15R2.5805 COc1c(ccnc1F)c2cccs2 271570a_200010035964_100011215356 [1,1,0,0,0,0|2,0,0]=4 3218 B15R2.5805 COc1c(ccnc1N)c2cccs2 271570a_100000742291_100009880012 [1,1,0,0,0,0|2,0,0]=4 3219 B15R2.5805 COc1c(ccnc1c2cccs2)N 271570a_100000742291_100000104429 [1,1,0,0,0,0|2,0,0]=4 3220 B15R2.5805 COc1c(ccnc1c2cccs2)O 271570a_100000742291_100000104430 [1,1,0,0,0,0|2,0,0]=4 3221 B15R2.5805 COc1c(cncc1c2cccs2)N 271570a_100000742291_100012359933 [1,1,0,0,0,0|2,0,0]=4 3222 B15R2.5805 CSc1c(cccc1c2ccco2)F 271570a_100000750936_200010709249 [1,1,0,0,0,0|1,1,0]=4 3223 B15R2.5805 CSc1c(cccc1c2cccs2)F 271570a_100000742291_200010709249 [1,1,0,0,0,0|1,0,0]=3 3224 B15R2.5805 CSc1c(cccc1c2cncs2)F 271570a_100010231675_200010709249 [1,1,0,0,0,0|2,0,0]=4 3225 B15R2.5805 Cc1cccc(c1C#N)c2cccs2 271570a_100000742291_100009819585 [1,1,0,0,0,0|0,0,2]=4 3226 B15R2.5805 Cc1cccc(c1C=O)c2cccs2 271570a_100000742291_100000041122 [1,1,0,0,0,0|1,0,1]=4 3227 B15R2.5805 N#Cc1c(cccc1c2cccs2)Br 271570a_100000742291_100010071968 [1,1,0,0,0,0|0,0,2]=4 3228 B15R2.5805 N#Cc1c(cccc1c2cccs2)Cl 271570a_100000742291_200000049503 [1,1,0,0,0,0|0,0,2]=4 3229 B15R2.5805 N#Cc1c(cccc1c2cccs2)Cl 271570a_100010042545_100011215356 [1,1,0,0,0,0|0,0,2]=4 3230 B15R2.5805 N#Cc1c(cccc1c2cccs2)F 271570a_100000718958_100011215356 [1,1,0,0,0,0|0,0,2]=4 3231 B15R2.5805 N#Cc1c(cccc1c2cccs2)F 271570a_100000742291_100000699744 [1,1,0,0,0,0|0,0,2]=4 3232 B15R2.5805 N#Cc1c(cccc1c2cccs2)N 271570a_100000742291_100011935054 [1,1,0,0,0,0|0,0,2]=4 3233 B15R2.5805 N#Cc1c(cccc1c2cccs2)O 271570a_100000742291_100012180507 [1,1,0,0,0,0|0,0,2]=4 3234 B15R2.5805 NCc1c(cccc1c2cc[nH]c2)F 271570a_100000102155_100012349121 [1,1,0,0,0,0|2,0,0]=4 3235 B15R2.5805 NCc1c(cccc1c2cc[nH]n2)F 271570a_100000062414_100012349121 [1,1,0,0,0,0|2,0,0]=4 3236 B15R2.5805 NCc1c(cccc1c2ccco2)F 271570a_100000750936_100012349121 [1,1,0,0,0,0|0,1,0]=3 3237 B15R2.5805 NCc1c(cccc1c2cccs2)F 271570a_100000742291_100012349121 [1,1,0,0,0,0|0,0,0]=2 3238 B15R2.5805 NCc1c(cccc1c2ccoc2)F 271570a_100011218838_100012349121 [1,1,0,0,0,0|2,0,0]=4 3239 B15R2.5805 NCc1c(cccc1c2ccsc2)F 271570a_100011934443_100012349121 [1,1,0,0,0,0|2,0,0]=4 3240 B15R2.5805 NCc1c(cccc1c2cncs2)F 271570a_100010231675_100012349121 [1,1,0,0,0,0|1,0,0]=3 3241 B15R2.5805 NCc1c(cccc1c2ncc[nH]2)F 271570a_100016988920_100012349121 [1,1,0,0,0,0|2,0,0]=4 3242 B15R2.5805 NNc1c(cccc1c2ccco2)F 271570a_100000750936_100016994982 [1,1,0,0,0,0|1,1,0]=4 3243 B15R2.5805 NNc1c(cccc1c2cccs2)F 271570a_100000742291_100016994982 [1,1,0,0,0,0|1,0,0]=3 3244 B15R2.5805 NNc1c(cccc1c2cncs2)F 271570a_100010231675_100016994982 [1,1,0,0,0,0|2,0,0]=4 3245 B15R2.5805 Nc1cccc(c1C=O)c2cccs2 271570a_100000742291_100010232536 [1,1,0,0,0,0|1,0,1]=4 3246 B15R2.5805 Nc1cccc(c1CO)c2ccco2 271570a_100000750936_100000747656 [1,1,0,0,0,0|1,1,0]=4 3247 B15R2.5805 Nc1cccc(c1CO)c2cccs2 271570a_100000742291_100000747656 [1,1,0,0,0,0|1,0,0]=3 3248 B15R2.5805 Nc1cccc(c1CO)c2cncs2 271570a_100010231675_100000747656 [1,1,0,0,0,0|2,0,0]=4 3249 B15R2.5805 O=Cc1c(cccc1c2cccs2)Cl 271570a_100000742291_100010147682 [1,1,0,0,0,0|1,0,1]=4 3250 B15R2.5805 O=Cc1c(cccc1c2cccs2)Cl 271570a_100009861587_100011215356 [1,1,0,0,0,0|1,0,1]=4 3251 B15R2.5805 O=Cc1c(cccc1c2cccs2)F 271570a_100000742291_100000210083 [1,1,0,0,0,0|1,0,1]=4 3252 B15R2.5805 O=Cc1c(cccc1c2cccs2)F 271570a_100010144235_100011215356 [1,1,0,0,0,0|1,0,1]=4 3253 B15R2.5805 O=Cc1c(cccc1c2cccs2)O 271570a_100000742291_100009814793 [1,1,0,0,0,0|1,0,1]=4 3254 B15R2.5805 OCc1c(cccc1c2ccco2)Cl 271570a_200009873965_100009814098 [1,1,0,0,0,0|1,1,0]=4 3255 B15R2.5805 OCc1c(cccc1c2ccco2)F 271570a_100000750936_100012355691 [1,1,0,0,0,0|1,1,0]=4 3256 B15R2.5805 OCc1c(cccc1c2ccco2)F 271570a_200009847661_100009814098 [1,1,0,0,0,0|1,1,0]=4 3257 B15R2.5805 OCc1c(cccc1c2cccs2)Cl 271570a_200009873965_100011215356 [1,1,0,0,0,0|1,0,0]=3 3258 B15R2.5805 OCc1c(cccc1c2cccs2)F 271570a_100000742291_100012355691 [1,1,0,0,0,0|1,0,0]=3 3259 B15R2.5805 OCc1c(cccc1c2cccs2)F 271570a_200009847661_100011215356 [1,1,0,0,0,0|1,0,0]=3 3260 B15R2.5805 OCc1c(cccc1c2cncs2)Cl 271570a_200009873965_100011934649 [1,1,0,0,0,0|2,0,0]=4 3261 B15R2.5805 OCc1c(cccc1c2cncs2)F 271570a_100010231675_100012355691 [1,1,0,0,0,0|2,0,0]=4 3262 B15R2.5805 OCc1c(cccc1c2cncs2)F 271570a_200009847661_100011934649 [1,1,0,0,0,0|2,0,0]=4 3263 B15R2.5805 OCc1c(cccc1c2nccs2)Cl 271570a_200009873965_100000211983 [1,1,0,0,0,0|2,0,0]=4 3264 B15R2.5805 OCc1c(cccc1c2nccs2)F 271570a_200009847661_100000211983 [1,1,0,0,0,0|2,0,0]=4 3265 B15R2.5805 OCc1c(ccnc1Cl)c2cccs2 271570a_100000742291_100000047008 [1,1,0,0,0,0|2,0,0]=4 3266 B15R2.5805 OCc1c(ccnc1F)c2cccs2 271570a_100000742291_100000050056 [1,1,0,0,0,0|2,0,0]=4 3267 B15R2.277 CNCc1ccsc1c2cc(cs2)C 271570a_100000038307_100009817074 [0,1,0,0,1,0|1,0,0]=3 3268 B15R2.277 CNCc1ccsc1c2ccc(o2)C 271570a_100000061910_100009817074 [0,1,0,0,1,0|1,1,0]=4 3269 B15R2.277 CNCc1ccsc1c2ccc(s2)C 271570a_100011934456_100009817074 [0,1,0,0,1,0|1,0,0]=3 3270 B15R2.277 CNCc1ccsc1c2ccc(s2)Cl 271570a_100000708867_100009817074 [0,1,0,0,1,0|1,0,0]=3 3271 B15R2.277 CNCc1ccsc1c2cnc(s2)C 271570a_100000696845_100009817074 [0,1,0,0,1,0|2,0,0]=4 3272 B15R2.277 CNCc1cscc1c2cc(cs2)C 271570a_100000038307_100011935083 [0,1,0,0,1,0|1,0,0]=3 3273 B15R2.277 CNCc1cscc1c2ccc(o2)C 271570a_100000061910_100011935083 [0,1,0,0,1,0|1,1,0]=4 3274 B15R2.277 CNCc1cscc1c2ccc(s2)C 271570a_100011934456_100011935083 [0,1,0,0,1,0|1,0,0]=3 3275 B15R2.277 CNCc1cscc1c2ccc(s2)Cl 271570a_100000708867_100011935083 [0,1,0,0,1,0|1,0,0]=3 3276 B15R2.277 CNCc1cscc1c2cnc(s2)C 271570a_100000696845_100011935083 [0,1,0,0,1,0|2,0,0]=4 3277 B15R2.277 CNCc1sccc1c2cc(cs2)C 271570a_100000038307_100000767120 [0,1,0,0,1,0|1,0,0]=3 3278 B15R2.277 CNCc1sccc1c2ccc(o2)C 271570a_100000061910_100000767120 [0,1,0,0,1,0|1,1,0]=4 3279 B15R2.277 CNCc1sccc1c2ccc(s2)C 271570a_100011934456_100000767120 [0,1,0,0,1,0|1,0,0]=3 3280 B15R2.277 CNCc1sccc1c2ccc(s2)Cl 271570a_100000708867_100000767120 [0,1,0,0,1,0|1,0,0]=3 3281 B15R2.277 CNCc1sccc1c2cnc(s2)C 271570a_100000696845_100000767120 [0,1,0,0,1,0|2,0,0]=4 3282 B15R2.1253 CN(C)Cc1c[nH]nc1c2cccs2 270004a_100102631434_100000239666 [0,1,0,0,1,0|2,0,0]=4 3283 B15R2.1253 CN(C)Cc1cccn1c2nccs2 270004a_100102631434_200000027399 [0,1,0,0,1,0|2,0,0]=4 3284 B15R2.1321 CNCc1ccsc1c2cccn2C 271570a_100000068268_100009817074 [0,1,0,0,1,0|2,0,0]=4 3285 B15R2.1321 CNCc1ccsc1c2sccc2C 271570a_100000734444_100009817074 [0,1,0,0,1,0|1,0,0]=3 3286 B15R2.1321 CNCc1ccsc1c2scnc2C 271570a_100010115231_100009817074 [0,1,0,0,1,0|2,0,0]=4 3287 B15R2.1321 CNCc1cscc1c2cccn2C 271570a_100000068268_100011935083 [0,1,0,0,1,0|2,0,0]=4 3288 B15R2.1321 CNCc1cscc1c2sccc2C 271570a_100000734444_100011935083 [0,1,0,0,1,0|1,0,0]=3 3289 B15R2.1321 CNCc1cscc1c2scnc2C 271570a_100010115231_100011935083 [0,1,0,0,1,0|2,0,0]=4 3290 B15R2.1321 CNCc1sccc1c2cccn2C 271570a_100000068268_100000767120 [0,1,0,0,1,0|2,0,0]=4 3291 B15R2.1321 CNCc1sccc1c2sccc2C 271570a_100000734444_100000767120 [0,1,0,0,1,0|1,0,0]=3 3292 B15R2.1321 CNCc1sccc1c2scnc2C 271570a_100010115231_100000767120 [0,1,0,0,1,0|2,0,0]=4 3293 B15R2.2229 CCCCc1ccsc1c2cccs2 271570a_100000742291_100010071534 [0,1,0,0,1,0|2,0,0]=4 3294 B15R2.2229 CCNCc1c[nH]nc1c2cccs2 207a_100015525214_100000239666 [0,1,0,0,1,0|2,0,0]=4 3295 B15R2.2229 CCNCc1c[nH]nc1c2cccs2 270004a_100015525214_100000239666 [0,1,0,0,1,0|2,0,0]=4 3296 B15R2.2229 CCNCc1cccn1c2nccs2 270004a_100015525214_200000027399 [0,1,0,0,1,0|2,0,0]=4 3297 B17R2.86 CNCc1ccccc1C2=CC(=O)CCC2 271570a_100000723966_100000184654 [0,1,0,0,0,1|1,0,1]=4 3298 B17R2.86 CNCc1ccccc1c2cc(ccn2)C 271570a_100000049243_100000184654 [0,1,0,0,0,1|1,0,0]=3 3299 B17R2.86 CNCc1ccccc1c2cc(ccn2)F 271570a_200000087102_100000184654 [0,1,0,0,0,1|1,0,0]=3 3300 B17R2.86 CNCc1ccccc1c2cccc(c2)C 271570a_100000749446_100000184654 [0,1,0,0,0,1|1,0,0]=3 3301 B17R2.86 CNCc1ccccc1c2cccc(c2)Cl 271570a_100011214927_100000184654 [0,1,0,0,0,1|1,0,0]=3 3302 B17R2.86 CNCc1ccccc1c2cccc(c2)F 271570a_100012349223_100000184654 [0,1,0,0,0,1|1,0,0]=3 3303 B17R2.86 CNCc1ccccc1c2cccc(c2)I 271570a_100000043368_100000184654 [0,1,0,0,0,1|1,0,0]=3 3304 B17R2.86 CNCc1ccccc1c2cccc(c2)N 271570a_100000699968_100000184654 [0,1,0,0,0,1|1,0,0]=3 3305 B17R2.86 CNCc1ccccc1c2cccc(c2)O 271570a_100000693801_100000184654 [0,1,0,0,0,1|1,0,0]=3 3306 B17R2.86 CNCc1ccccc1c2cccc(n2)Br 270004a_106832991635_100010163230 [0,1,0,0,0,1|1,0,0]=3 3307 B17R2.86 CNCc1ccccc1c2cccc(n2)C 271570a_100000046275_100000184654 [0,1,0,0,0,1|1,0,0]=3 3308 B17R2.86 CNCc1ccccc1c2cccc(n2)Cl 271570a_100000062326_100000184654 [0,1,0,0,0,1|1,0,0]=3 3309 B17R2.86 CNCc1ccccc1c2cccc(n2)F 271570a_100000090185_100000184654 [0,1,0,0,0,1|1,0,0]=3 3310 B17R2.86 CNCc1ccccc1c2cccc(n2)O 271570a_100010195584_100000184654 [0,1,0,0,0,1|1,0,0]=3 3311 B17R2.86 CNCc1ccccc1c2ccnc(c2)C 271570a_100011830414_100000184654 [0,1,0,0,0,1|1,0,0]=3 3312 B17R2.86 CNCc1ccccc1c2ccnc(c2)Cl 271570a_100000049459_100000184654 [0,1,0,0,0,1|1,0,0]=3 3313 B17R2.86 CNCc1ccccc1c2ccnc(c2)F 271570a_100000062321_100000184654 [0,1,0,0,0,1|1,0,0]=3 3314 B17R2.86 CNCc1ccccc1c2ccnc(c2)N 271570a_102125402725_100000184654 [0,1,0,0,0,1|1,0,0]=3 3315 B17R2.86 CNCc1ccccc1c2ccnc(c2)O 271570a_100010237957_100000184654 [0,1,0,0,0,1|1,0,0]=3 3316 B17R2.86 CNCc1ccccc1c2cncc(c2)Br 271570a_200009814628_100000184654 [0,1,0,0,0,1|1,0,0]=3 3317 B17R2.86 CNCc1ccccc1c2cncc(c2)C 271570a_100012355712_100000184654 [0,1,0,0,0,1|1,0,0]=3 3318 B17R2.86 CNCc1ccccc1c2cncc(c2)Cl 271570a_100000049213_100000184654 [0,1,0,0,0,1|1,0,0]=3 3319 B17R2.86 CNCc1ccccc1c2cncc(c2)F 271570a_100000757375_100000184654 [0,1,0,0,0,1|1,0,0]=3 3320 B17R2.86 CNCc1ccccc1c2cncc(c2)N 271570a_100000069896_100000184654 [0,1,0,0,0,1|1,0,0]=3 3321 B17R2.86 CNCc1ccccc1c2cncc(c2)O 271570a_100010248756_100000184654 [0,1,0,0,0,1|1,0,0]=3 3322 B17R2.86 CNCc1ccccc1c2cnnc(c2)C 271570a_100010138862_100000184654 [0,1,0,0,0,1|2,0,0]=4 3323 B17R2.86 CNCc1cccnc1c2cc(ccn2)C 271570a_100000049243_103496529121 [0,1,0,0,0,1|2,0,0]=4 3324 B17R2.86 CNCc1cccnc1c2cc(ccn2)F 271570a_200000087102_103496529121 [0,1,0,0,0,1|2,0,0]=4 3325 B17R2.86 CNCc1cccnc1c2cccc(c2)C 271570a_100000749446_103496529121 [0,1,0,0,0,1|2,0,0]=4 3326 B17R2.86 CNCc1cccnc1c2cccc(c2)Cl 271570a_100011214927_103496529121 [0,1,0,0,0,1|2,0,0]=4 3327 B17R2.86 CNCc1cccnc1c2cccc(c2)F 271570a_100012349223_103496529121 [0,1,0,0,0,1|2,0,0]=4 3328 B17R2.86 CNCc1cccnc1c2cccc(c2)I 271570a_100000043368_103496529121 [0,1,0,0,0,1|2,0,0]=4 3329 B17R2.86 CNCc1cccnc1c2cccc(c2)N 271570a_100000699968_103496529121 [0,1,0,0,0,1|2,0,0]=4 3330 B17R2.86 CNCc1cccnc1c2cccc(c2)O 271570a_100000693801_103496529121 [0,1,0,0,0,1|2,0,0]=4 3331 B17R2.86 CNCc1cccnc1c2cccc(n2)C 271570a_100000046275_103496529121 [0,1,0,0,0,1|2,0,0]=4 3332 B17R2.86 CNCc1cccnc1c2cccc(n2)Cl 271570a_100000062326_103496529121 [0,1,0,0,0,1|2,0,0]=4 3333 B17R2.86 CNCc1cccnc1c2cccc(n2)F 271570a_100000090185_103496529121 [0,1,0,0,0,1|2,0,0]=4 3334 B17R2.86 CNCc1cccnc1c2cccc(n2)O 271570a_100010195584_103496529121 [0,1,0,0,0,1|2,0,0]=4 3335 B17R2.86 CNCc1cccnc1c2ccnc(c2)C 271570a_100011830414_103496529121 [0,1,0,0,0,1|2,0,0]=4 3336 B17R2.86 CNCc1cccnc1c2ccnc(c2)Cl 271570a_100000049459_103496529121 [0,1,0,0,0,1|2,0,0]=4 3337 B17R2.86 CNCc1cccnc1c2ccnc(c2)F 271570a_100000062321_103496529121 [0,1,0,0,0,1|2,0,0]=4 3338 B17R2.86 CNCc1cccnc1c2ccnc(c2)N 271570a_102125402725_103496529121 [0,1,0,0,0,1|2,0,0]=4 3339 B17R2.86 CNCc1cccnc1c2ccnc(c2)O 271570a_100010237957_103496529121 [0,1,0,0,0,1|2,0,0]=4 3340 B17R2.86 CNCc1cccnc1c2cncc(c2)Br 271570a_200009814628_103496529121 [0,1,0,0,0,1|2,0,0]=4 3341 B17R2.86 CNCc1cccnc1c2cncc(c2)C 271570a_100012355712_103496529121 [0,1,0,0,0,1|2,0,0]=4 3342 B17R2.86 CNCc1cccnc1c2cncc(c2)Cl 271570a_100000049213_103496529121 [0,1,0,0,0,1|2,0,0]=4 3343 B17R2.86 CNCc1cccnc1c2cncc(c2)F 271570a_100000757375_103496529121 [0,1,0,0,0,1|2,0,0]=4 3344 B17R2.86 CNCc1cccnc1c2cncc(c2)N 271570a_100000069896_103496529121 [0,1,0,0,0,1|2,0,0]=4 3345 B17R2.86 CNCc1cccnc1c2cncc(c2)O 271570a_100010248756_103496529121 [0,1,0,0,0,1|2,0,0]=4 3346 B17R2.86 CNCc1cnccc1c2cccc(c2)Br 207a_100102657272_200009814050 [0,1,0,0,0,1|2,0,0]=4 3347 B17R2.86 CNCc1cnccc1c2cccc(c2)Br 270004a_106832991635_200009814050 [0,1,0,0,0,1|2,0,0]=4 3348 B17R2.86 COCc1ccccc1c2c[n+](ccn2)[O-] 271570a_100011216666_100009880115 [0,1,0,0,0,1|2,0,0]=4 3349 B17R2.86 COCc1ccccc1c2cc(ccn2)C 271570a_100000049243_100011493684 [0,1,0,0,0,1|2,0,0]=4 3350 B17R2.86 COCc1ccccc1c2cc(ccn2)C 271570a_100011216666_100000750283 [0,1,0,0,0,1|2,0,0]=4 3351 B17R2.86 COCc1ccccc1c2cc(ccn2)Cl 271570a_100011216666_100010167805 [0,1,0,0,0,1|2,0,0]=4 3352 B17R2.86 COCc1ccccc1c2cc(ccn2)F 271570a_100011216666_100009817058 [0,1,0,0,0,1|2,0,0]=4 3353 B17R2.86 COCc1ccccc1c2cc(ccn2)F 271570a_200000087102_100011493684 [0,1,0,0,0,1|2,0,0]=4 3354 B17R2.86 COCc1ccccc1c2cc(ccn2)N 271570a_100011216666_100009814236 [0,1,0,0,0,1|2,0,0]=4 3355 B17R2.86 COCc1ccccc1c2cc(ccn2)O 271570a_100011216666_100000762945 [0,1,0,0,0,1|2,0,0]=4 3356 B17R2.86 COCc1ccccc1c2cc(cnn2)C 271570a_100011216666_100000070100 [0,1,0,0,0,1|2,0,0]=4 3357 B17R2.86 COCc1ccccc1c2cc(cnn2)O 271570a_100011216666_200010734679 [0,1,0,0,0,1|2,0,0]=4 3358 B17R2.86 COCc1ccccc1c2cc(ncn2)C 271570a_100011216666_100000744208 [0,1,0,0,0,1|2,0,0]=4 3359 B17R2.86 COCc1ccccc1c2cc(ncn2)F 271570a_100011216666_200009880791 [0,1,0,0,0,1|2,0,0]=4 3360 B17R2.86 COCc1ccccc1c2cc(ncn2)N 271570a_100011216666_100000701291 [0,1,0,0,0,1|2,0,0]=4 3361 B17R2.86 COCc1ccccc1c2cc(ncn2)O 271570a_100011216666_100000765262 [0,1,0,0,0,1|2,0,0]=4 3362 B17R2.86 COCc1ccccc1c2cc[nH]c(=O)c2 271570a_100011216666_100009816521 [0,1,0,0,0,1|2,0,0]=4 3363 B17R2.86 COCc1ccccc1c2cc[nH]c(=O)n2 271570a_100011216666_200000134032 [0,1,0,0,0,1|2,0,0]=4 3364 B17R2.86 COCc1ccccc1c2ccc[n+](c2)C 271570a_100011216666_100009996589 [0,1,0,0,0,1|2,0,0]=4 3365 B17R2.86 COCc1ccccc1c2ccc[n+](c2)[O-] 271570a_100011216666_100009815978 [0,1,0,0,0,1|2,0,0]=4 3366 B17R2.86 COCc1ccccc1c2cccc(=O)[nH]2 271570a_100011216666_100000761760 [0,1,0,0,0,1|2,0,0]=4 3367 B17R2.86 COCc1ccccc1c2cccc(c2)Br 271570a_100011216666_100000691529 [0,1,0,0,0,1|2,0,0]=4 3368 B17R2.86 COCc1ccccc1c2cccc(c2)C 271570a_100000749446_100011493684 [0,1,0,0,0,1|2,0,0]=4 3369 B17R2.86 COCc1ccccc1c2cccc(c2)C 271570a_100011216666_100011215228 [0,1,0,0,0,1|2,0,0]=4 3370 B17R2.86 COCc1ccccc1c2cccc(c2)Cl 271570a_100011214927_100011493684 [0,1,0,0,0,1|2,0,0]=4 3371 B17R2.86 COCc1ccccc1c2cccc(c2)Cl 271570a_100011216666_100000699651 [0,1,0,0,0,1|2,0,0]=4 3372 B17R2.86 COCc1ccccc1c2cccc(c2)F 271570a_100011216666_100000685547 [0,1,0,0,0,1|2,0,0]=4 3373 B17R2.86 COCc1ccccc1c2cccc(c2)F 271570a_100012349223_100011493684 [0,1,0,0,0,1|2,0,0]=4 3374 B17R2.86 COCc1ccccc1c2cccc(c2)I 271570a_100000043368_100011493684 [0,1,0,0,0,1|2,0,0]=4 3375 B17R2.86 COCc1ccccc1c2cccc(c2)N 271570a_100000699968_100011493684 [0,1,0,0,0,1|2,0,0]=4 3376 B17R2.86 COCc1ccccc1c2cccc(c2)N 271570a_100011216666_100000210019 [0,1,0,0,0,1|2,0,0]=4 3377 B17R2.86 COCc1ccccc1c2cccc(c2)O 271570a_100000693801_100011493684 [0,1,0,0,0,1|2,0,0]=4 3378 B17R2.86 COCc1ccccc1c2cccc(c2)O 271570a_100011216666_100000211634 [0,1,0,0,0,1|2,0,0]=4 3379 B17R2.86 COCc1ccccc1c2cccc(c2)[S] 271570a_100011216666_114929384022 [0,1,0,0,0,1|2,0,0]=4 3380 B17R2.86 COCc1ccccc1c2cccc(n2)Br 271570a_100011216666_100000684672 [0,1,0,0,0,1|2,0,0]=4 3381 B17R2.86 COCc1ccccc1c2cccc(n2)C 271570a_100000046275_100011493684 [0,1,0,0,0,1|2,0,0]=4 3382 B17R2.86 COCc1ccccc1c2cccc(n2)C 271570a_100011216666_100000742759 [0,1,0,0,0,1|2,0,0]=4 3383 B17R2.86 COCc1ccccc1c2cccc(n2)Cl 271570a_100000062326_100011493684 [0,1,0,0,0,1|2,0,0]=4 3384 B17R2.86 COCc1ccccc1c2cccc(n2)F 271570a_100000090185_100011493684 [0,1,0,0,0,1|2,0,0]=4 3385 B17R2.86 COCc1ccccc1c2cccc(n2)F 271570a_100011216666_100009815982 [0,1,0,0,0,1|2,0,0]=4 3386 B17R2.86 COCc1ccccc1c2cccc(n2)N 271570a_100011216666_100000740741 [0,1,0,0,0,1|2,0,0]=4 3387 B17R2.86 COCc1ccccc1c2cccc(n2)O 271570a_100010195584_100011493684 [0,1,0,0,0,1|2,0,0]=4 3388 B17R2.86 COCc1ccccc1c2ccnc(c2)Br 271570a_100011216666_100009814637 [0,1,0,0,0,1|2,0,0]=4 3389 B17R2.86 COCc1ccccc1c2ccnc(c2)C 271570a_100011216666_100000758586 [0,1,0,0,0,1|2,0,0]=4 3390 B17R2.86 COCc1ccccc1c2ccnc(c2)C 271570a_100011830414_100011493684 [0,1,0,0,0,1|2,0,0]=4 3391 B17R2.86 COCc1ccccc1c2ccnc(c2)Cl 271570a_100000049459_100011493684 [0,1,0,0,0,1|2,0,0]=4 3392 B17R2.86 COCc1ccccc1c2ccnc(c2)Cl 271570a_100011216666_100000035001 [0,1,0,0,0,1|2,0,0]=4 3393 B17R2.86 COCc1ccccc1c2ccnc(c2)F 271570a_100000062321_100011493684 [0,1,0,0,0,1|2,0,0]=4 3394 B17R2.86 COCc1ccccc1c2ccnc(c2)F 271570a_100011216666_100009816116 [0,1,0,0,0,1|2,0,0]=4 3395 B17R2.86 COCc1ccccc1c2ccnc(c2)N 271570a_100011216666_100000744379 [0,1,0,0,0,1|2,0,0]=4 3396 B17R2.86 COCc1ccccc1c2ccnc(c2)N 271570a_102125402725_100011493684 [0,1,0,0,0,1|2,0,0]=4 3397 B17R2.86 COCc1ccccc1c2ccnc(c2)O 271570a_100010237957_100011493684 [0,1,0,0,0,1|2,0,0]=4 3398 B17R2.86 COCc1ccccc1c2ccnc(n2)C 271570a_100011216666_100000749937 [0,1,0,0,0,1|2,0,0]=4 3399 B17R2.86 COCc1ccccc1c2ccnc(n2)N 271570a_100011216666_100009820717 [0,1,0,0,0,1|2,0,0]=4 3400 B17R2.86 COCc1ccccc1c2cncc(c2)Br 271570a_100011216666_100000728054 [0,1,0,0,0,1|2,0,0]=4 3401 B17R2.86 COCc1ccccc1c2cncc(c2)Br 271570a_200009814628_100011493684 [0,1,0,0,0,1|2,0,0]=4 3402 B17R2.86 COCc1ccccc1c2cncc(c2)C 271570a_100011216666_100000760492 [0,1,0,0,0,1|2,0,0]=4 3403 B17R2.86 COCc1ccccc1c2cncc(c2)C 271570a_100012355712_100011493684 [0,1,0,0,0,1|2,0,0]=4 3404 B17R2.86 COCc1ccccc1c2cncc(c2)Cl 271570a_100000049213_100011493684 [0,1,0,0,0,1|2,0,0]=4 3405 B17R2.86 COCc1ccccc1c2cncc(c2)Cl 271570a_100011216666_100000049639 [0,1,0,0,0,1|2,0,0]=4 3406 B17R2.86 COCc1ccccc1c2cncc(c2)F 271570a_100000757375_100011493684 [0,1,0,0,0,1|2,0,0]=4 3407 B17R2.86 COCc1ccccc1c2cncc(c2)F 271570a_100011216666_100000744099 [0,1,0,0,0,1|2,0,0]=4 3408 B17R2.86 COCc1ccccc1c2cncc(c2)N 271570a_100000069896_100011493684 [0,1,0,0,0,1|2,0,0]=4 3409 B17R2.86 COCc1ccccc1c2cncc(c2)N 271570a_100011216666_100000687067 [0,1,0,0,0,1|2,0,0]=4 3410 B17R2.86 COCc1ccccc1c2cncc(c2)O 271570a_100010248756_100011493684 [0,1,0,0,0,1|2,0,0]=4 3411 B17R2.86 COCc1ccccc1c2cncc(c2)O 271570a_100011216666_100000754920 [0,1,0,0,0,1|2,0,0]=4 3412 B17R2.86 COCc1ccccc1c2cncc(n2)C 271570a_100011216666_100009842155 [0,1,0,0,0,1|2,0,0]=4 3413 B17R2.86 COCc1ccccc1c2cncc(n2)F 271570a_100011216666_200009863489 [0,1,0,0,0,1|2,0,0]=4 3414 B17R2.86 COCc1ccccc1c2cncc(n2)N 271570a_100011216666_100009819714 [0,1,0,0,0,1|2,0,0]=4 3415 B17R2.86 COCc1ccccc1c2cncc(n2)O 271570a_100011216666_100011269956 [0,1,0,0,0,1|2,0,0]=4 3416 B17R2.86 COCc1ccccc1c2nccc(n2)C 271570a_100011216666_100011243806 [0,1,0,0,0,1|2,0,0]=4 3417 B17R2.86 COCc1ccccc1c2nccc(n2)N 271570a_100011216666_100000757536 [0,1,0,0,0,1|2,0,0]=4 3418 B17R2.86 COCc1ccccc1c2nccc(n2)O 271570a_100011216666_100011649813 [0,1,0,0,0,1|2,0,0]=4 3419 B17R2.86 CSCc1ccccc1c2cc(ccn2)C 271570a_100000049243_100000148299 [0,1,0,0,0,1|2,0,0]=4 3420 B17R2.86 CSCc1ccccc1c2cc(ccn2)F 271570a_200000087102_100000148299 [0,1,0,0,0,1|2,0,0]=4 3421 B17R2.86 CSCc1ccccc1c2cccc(c2)C 271570a_100000749446_100000148299 [0,1,0,0,0,1|2,0,0]=4 3422 B17R2.86 CSCc1ccccc1c2cccc(c2)Cl 271570a_100011214927_100000148299 [0,1,0,0,0,1|2,0,0]=4 3423 B17R2.86 CSCc1ccccc1c2cccc(c2)F 271570a_100012349223_100000148299 [0,1,0,0,0,1|2,0,0]=4 3424 B17R2.86 CSCc1ccccc1c2cccc(c2)I 271570a_100000043368_100000148299 [0,1,0,0,0,1|2,0,0]=4 3425 B17R2.86 CSCc1ccccc1c2cccc(c2)N 271570a_100000699968_100000148299 [0,1,0,0,0,1|2,0,0]=4 3426 B17R2.86 CSCc1ccccc1c2cccc(c2)O 271570a_100000693801_100000148299 [0,1,0,0,0,1|2,0,0]=4 3427 B17R2.86 CSCc1ccccc1c2cccc(n2)C 271570a_100000046275_100000148299 [0,1,0,0,0,1|2,0,0]=4 3428 B17R2.86 CSCc1ccccc1c2cccc(n2)Cl 271570a_100000062326_100000148299 [0,1,0,0,0,1|2,0,0]=4 3429 B17R2.86 CSCc1ccccc1c2cccc(n2)F 271570a_100000090185_100000148299 [0,1,0,0,0,1|2,0,0]=4 3430 B17R2.86 CSCc1ccccc1c2cccc(n2)O 271570a_100010195584_100000148299 [0,1,0,0,0,1|2,0,0]=4 3431 B17R2.86 CSCc1ccccc1c2ccnc(c2)C 271570a_100011830414_100000148299 [0,1,0,0,0,1|2,0,0]=4 3432 B17R2.86 CSCc1ccccc1c2ccnc(c2)Cl 271570a_100000049459_100000148299 [0,1,0,0,0,1|2,0,0]=4 3433 B17R2.86 CSCc1ccccc1c2ccnc(c2)F 271570a_100000062321_100000148299 [0,1,0,0,0,1|2,0,0]=4 3434 B17R2.86 CSCc1ccccc1c2ccnc(c2)N 271570a_102125402725_100000148299 [0,1,0,0,0,1|2,0,0]=4 3435 B17R2.86 CSCc1ccccc1c2ccnc(c2)O 271570a_100010237957_100000148299 [0,1,0,0,0,1|2,0,0]=4 3436 B17R2.86 CSCc1ccccc1c2cncc(c2)Br 271570a_200009814628_100000148299 [0,1,0,0,0,1|2,0,0]=4 3437 B17R2.86 CSCc1ccccc1c2cncc(c2)C 271570a_100012355712_100000148299 [0,1,0,0,0,1|2,0,0]=4 3438 B17R2.86 CSCc1ccccc1c2cncc(c2)Cl 271570a_100000049213_100000148299 [0,1,0,0,0,1|2,0,0]=4 3439 B17R2.86 CSCc1ccccc1c2cncc(c2)F 271570a_100000757375_100000148299 [0,1,0,0,0,1|2,0,0]=4 3440 B17R2.86 CSCc1ccccc1c2cncc(c2)N 271570a_100000069896_100000148299 [0,1,0,0,0,1|2,0,0]=4 3441 B17R2.86 CSCc1ccccc1c2cncc(c2)O 271570a_100010248756_100000148299 [0,1,0,0,0,1|2,0,0]=4 3442 B17R2.86 Cc1cc(ccn1)c2ccccc2CNN 271570a_100011830414_200016993956 [0,1,0,0,0,1|2,0,0]=4 3443 B17R2.86 Cc1cccc(c1)c2ccccc2CNN 271570a_100000749446_200016993956 [0,1,0,0,0,1|2,0,0]=4 3444 B17R2.86 Cc1cccc(n1)c2ccccc2CNN 271570a_100000046275_200016993956 [0,1,0,0,0,1|2,0,0]=4 3445 B17R2.86 Cc1ccnc(c1)c2ccccc2CNN 271570a_100000049243_200016993956 [0,1,0,0,0,1|2,0,0]=4 3446 B17R2.86 Cc1cncc(c1)c2ccccc2CNN 271570a_100012355712_200016993956 [0,1,0,0,0,1|2,0,0]=4 3447 B17R2.86 NNCc1ccccc1c2cc(ccn2)F 271570a_200000087102_200016993956 [0,1,0,0,0,1|2,0,0]=4 3448 B17R2.86 NNCc1ccccc1c2cccc(c2)Cl 271570a_100011214927_200016993956 [0,1,0,0,0,1|2,0,0]=4 3449 B17R2.86 NNCc1ccccc1c2cccc(c2)F 271570a_100012349223_200016993956 [0,1,0,0,0,1|2,0,0]=4 3450 B17R2.86 NNCc1ccccc1c2cccc(c2)I 271570a_100000043368_200016993956 [0,1,0,0,0,1|2,0,0]=4 3451 B17R2.86 NNCc1ccccc1c2cccc(c2)N 271570a_100000699968_200016993956 [0,1,0,0,0,1|2,0,0]=4 3452 B17R2.86 NNCc1ccccc1c2cccc(c2)O 271570a_100000693801_200016993956 [0,1,0,0,0,1|2,0,0]=4 3453 B17R2.86 NNCc1ccccc1c2cccc(n2)Cl 271570a_100000062326_200016993956 [0,1,0,0,0,1|2,0,0]=4 3454 B17R2.86 NNCc1ccccc1c2cccc(n2)F 271570a_100000090185_200016993956 [0,1,0,0,0,1|2,0,0]=4 3455 B17R2.86 NNCc1ccccc1c2cccc(n2)O 271570a_100010195584_200016993956 [0,1,0,0,0,1|2,0,0]=4 3456 B17R2.86 NNCc1ccccc1c2ccnc(c2)Cl 271570a_100000049459_200016993956 [0,1,0,0,0,1|2,0,0]=4 3457 B17R2.86 NNCc1ccccc1c2ccnc(c2)F 271570a_100000062321_200016993956 [0,1,0,0,0,1|2,0,0]=4 3458 B17R2.86 NNCc1ccccc1c2ccnc(c2)N 271570a_102125402725_200016993956 [0,1,0,0,0,1|2,0,0]=4 3459 B17R2.86 NNCc1ccccc1c2ccnc(c2)O 271570a_100010237957_200016993956 [0,1,0,0,0,1|2,0,0]=4 3460 B17R2.86 NNCc1ccccc1c2cncc(c2)Br 271570a_200009814628_200016993956 [0,1,0,0,0,1|2,0,0]=4 3461 B17R2.86 NNCc1ccccc1c2cncc(c2)Cl 271570a_100000049213_200016993956 [0,1,0,0,0,1|2,0,0]=4 3462 B17R2.86 NNCc1ccccc1c2cncc(c2)F 271570a_100000757375_200016993956 [0,1,0,0,0,1|2,0,0]=4 3463 B17R2.86 NNCc1ccccc1c2cncc(c2)N 271570a_100000069896_200016993956 [0,1,0,0,0,1|2,0,0]=4 3464 B17R2.86 NNCc1ccccc1c2cncc(c2)O 271570a_100010248756_200016993956 [0,1,0,0,0,1|2,0,0]=4 3465 B17R2.145 COCc1cc(ccc1c2ccccc2)F 271570a_200010042602_100000210277 [0,1,0,0,0,1|2,0,0]=4 3466 B17R2.145 COCc1cc(ccc1c2ccccn2)F 271570a_200010042602_100011216584 [0,1,0,0,0,1|2,0,0]=4 3467 B17R2.145 COCc1cc(ccc1c2cccnc2)F 271570a_200010042602_100000752921 [0,1,0,0,0,1|2,0,0]=4 3468 B17R2.145 COCc1cc(ccc1c2cccnn2)F 271570a_200010042602_100016991348 [0,1,0,0,0,1|2,0,0]=4 3469 B17R2.145 COCc1cc(ccc1c2ccncc2)F 271570a_200010042602_100000035832 [0,1,0,0,0,1|2,0,0]=4 3470 B17R2.145 COCc1cc(ccc1c2ccncn2)F 271570a_200010042602_100000703185 [0,1,0,0,0,1|2,0,0]=4 3471 B17R2.145 COCc1cc(ccc1c2cnccn2)F 271570a_200010042602_100000758340 [0,1,0,0,0,1|2,0,0]=4 3472 B17R2.145 COCc1cc(ccc1c2ncccn2)F 271570a_200010042602_100000211032 [0,1,0,0,0,1|2,0,0]=4 3473 B17R2.157 CNCc1ccccc1c2cc[n+](cc2)C 271570a_100010897472_100000184654 [0,1,0,0,0,1|1,0,0]=3 3474 B17R2.157 CNCc1ccccc1c2ccc(=O)[nH]n2 26a_100102657272_200011748536 [0,1,0,0,0,1|1,0,0]=3 3475 B17R2.157 CNCc1ccccc1c2ccc(cc2)Br 271570a_100010235827_100000184654 [0,1,0,0,0,1|1,0,0]=3 3476 B17R2.157 CNCc1ccccc1c2ccc(cc2)C 207a_100102657272_200011218353 [0,1,0,0,0,1|1,0,0]=3 3477 B17R2.157 CNCc1ccccc1c2ccc(cc2)C 270004a_106832991635_200011218353 [0,1,0,0,0,1|1,0,0]=3 3478 B17R2.157 CNCc1ccccc1c2ccc(cc2)C 271570a_100000708704_100000184654 [0,1,0,0,0,1|1,0,0]=3 3479 B17R2.157 CNCc1ccccc1c2ccc(cc2)Cl 271570a_100011213355_100000184654 [0,1,0,0,0,1|1,0,0]=3 3480 B17R2.157 CNCc1ccccc1c2ccc(cc2)F 207a_100102657272_100011217166 [0,1,0,0,0,1|1,0,0]=3 3481 B17R2.157 CNCc1ccccc1c2ccc(cc2)F 270004a_106832991635_100011217166 [0,1,0,0,0,1|1,0,0]=3 3482 B17R2.157 CNCc1ccccc1c2ccc(cc2)F 271570a_100011934326_100000184654 [0,1,0,0,0,1|1,0,0]=3 3483 B17R2.157 CNCc1ccccc1c2ccc(cc2)F 34a_200020612205_200000210301 [0,1,0,0,0,1|1,0,0]=3 3484 B17R2.157 CNCc1ccccc1c2ccc(cc2)I 271570a_100000033156_100000184654 [0,1,0,0,0,1|1,0,0]=3 3485 B17R2.157 CNCc1ccccc1c2ccc(cc2)N 271570a_100015188457_100000184654 [0,1,0,0,0,1|1,0,0]=3 3486 B17R2.157 CNCc1ccccc1c2ccc(cc2)O 271570a_100015205159_100000184654 [0,1,0,0,0,1|1,0,0]=3 3487 B17R2.157 CNCc1ccccc1c2ccc(cn2)C 271570a_100000066433_100000184654 [0,1,0,0,0,1|1,0,0]=3 3488 B17R2.157 CNCc1ccccc1c2ccc(cn2)Cl 271570a_200000049369_100000184654 [0,1,0,0,0,1|1,0,0]=3 3489 B17R2.157 CNCc1ccccc1c2ccc(cn2)F 271570a_100000117362_100000184654 [0,1,0,0,0,1|1,0,0]=3 3490 B17R2.157 CNCc1ccccc1c2ccc(nc2)C 271570a_100012354835_100000184654 [0,1,0,0,0,1|1,0,0]=3 3491 B17R2.157 CNCc1ccccc1c2ccc(nc2)Cl 271570a_100000037156_100000184654 [0,1,0,0,0,1|1,0,0]=3 3492 B17R2.157 CNCc1ccccc1c2ccc(nc2)F 271570a_100000041719_100000184654 [0,1,0,0,0,1|1,0,0]=3 3493 B17R2.157 CNCc1ccccc1c2ccc(nc2)N 271570a_100000062249_100000184654 [0,1,0,0,0,1|1,0,0]=3 3494 B17R2.157 CNCc1ccccc1c2ccc(nc2)O 271570a_100000062254_100000184654 [0,1,0,0,0,1|1,0,0]=3 3495 B17R2.157 CNCc1ccccc1c2cnc(=O)[nH]c2 271570a_100000079150_100000184654 [0,1,0,0,0,1|2,0,0]=4 3496 B17R2.157 CNCc1ccccc1c2cnc(nc2)C 271570a_100010255633_100000184654 [0,1,0,0,0,1|2,0,0]=4 3497 B17R2.157 CNCc1ccccc1c2cnc(nc2)Cl 271570a_100000087307_100000184654 [0,1,0,0,0,1|2,0,0]=4 3498 B17R2.157 CNCc1ccccc1c2cnc(nc2)F 271570a_100010172013_100000184654 [0,1,0,0,0,1|2,0,0]=4 3499 B17R2.157 CNCc1ccccc1c2cnc(nc2)N 271570a_100000068091_100000184654 [0,1,0,0,0,1|2,0,0]=4 3500 B17R2.157 CNCc1cccnc1c2cc[n+](cc2)C 271570a_100010897472_103496529121 [0,1,0,0,0,1|2,0,0]=4 3501 B17R2.157 CNCc1cccnc1c2ccc(cc2)Br 271570a_100010235827_103496529121 [0,1,0,0,0,1|2,0,0]=4 3502 B17R2.157 CNCc1cccnc1c2ccc(cc2)C 271570a_100000708704_103496529121 [0,1,0,0,0,1|2,0,0]=4 3503 B17R2.157 CNCc1cccnc1c2ccc(cc2)Cl 271570a_100011213355_103496529121 [0,1,0,0,0,1|2,0,0]=4 3504 B17R2.157 CNCc1cccnc1c2ccc(cc2)F 271570a_100011934326_103496529121 [0,1,0,0,0,1|2,0,0]=4 3505 B17R2.157 CNCc1cccnc1c2ccc(cc2)I 271570a_100000033156_103496529121 [0,1,0,0,0,1|2,0,0]=4 3506 B17R2.157 CNCc1cccnc1c2ccc(cc2)N 271570a_100015188457_103496529121 [0,1,0,0,0,1|2,0,0]=4 3507 B17R2.157 CNCc1cccnc1c2ccc(cc2)O 271570a_100015205159_103496529121 [0,1,0,0,0,1|2,0,0]=4 3508 B17R2.157 CNCc1cccnc1c2ccc(cn2)C 271570a_100000066433_103496529121 [0,1,0,0,0,1|2,0,0]=4 3509 B17R2.157 CNCc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_103496529121 [0,1,0,0,0,1|2,0,0]=4 3510 B17R2.157 CNCc1cccnc1c2ccc(cn2)F 271570a_100000117362_103496529121 [0,1,0,0,0,1|2,0,0]=4 3511 B17R2.157 CNCc1cccnc1c2ccc(nc2)C 271570a_100012354835_103496529121 [0,1,0,0,0,1|2,0,0]=4 3512 B17R2.157 CNCc1cccnc1c2ccc(nc2)Cl 271570a_100000037156_103496529121 [0,1,0,0,0,1|2,0,0]=4 3513 B17R2.157 CNCc1cccnc1c2ccc(nc2)F 271570a_100000041719_103496529121 [0,1,0,0,0,1|2,0,0]=4 3514 B17R2.157 CNCc1cccnc1c2ccc(nc2)N 271570a_100000062249_103496529121 [0,1,0,0,0,1|2,0,0]=4 3515 B17R2.157 CNCc1cccnc1c2ccc(nc2)O 271570a_100000062254_103496529121 [0,1,0,0,0,1|2,0,0]=4 3516 B17R2.157 COCc1ccccc1c2cc[n+](cc2)C 271570a_100010897472_100011493684 [0,1,0,0,0,1|2,0,0]=4 3517 B17R2.157 COCc1ccccc1c2cc[n+](cc2)[O-] 271570a_100011216666_100000039755 [0,1,0,0,0,1|2,0,0]=4 3518 B17R2.157 COCc1ccccc1c2ccc(=O)[nH]c2 271570a_100011216666_100000212171 [0,1,0,0,0,1|2,0,0]=4 3519 B17R2.157 COCc1ccccc1c2ccc(=O)[nH]n2 271570a_100011216666_100009820020 [0,1,0,0,0,1|2,0,0]=4 3520 B17R2.157 COCc1ccccc1c2ccc(cc2)Br 271570a_100010235827_100011493684 [0,1,0,0,0,1|2,0,0]=4 3521 B17R2.157 COCc1ccccc1c2ccc(cc2)Br 271570a_100011216666_100000752885 [0,1,0,0,0,1|2,0,0]=4 3522 B17R2.157 COCc1ccccc1c2ccc(cc2)C 271570a_100000708704_100011493684 [0,1,0,0,0,1|2,0,0]=4 3523 B17R2.157 COCc1ccccc1c2ccc(cc2)C 271570a_100011216666_100000186775 [0,1,0,0,0,1|2,0,0]=4 3524 B17R2.157 COCc1ccccc1c2ccc(cc2)C 34a_200000082336_200000210301 [0,1,0,0,0,1|2,0,0]=4 3525 B17R2.157 COCc1ccccc1c2ccc(cc2)C 7a_200000082336_200000210301 [0,1,0,0,0,1|2,0,0]=4 3526 B17R2.157 COCc1ccccc1c2ccc(cc2)Cl 271570a_100011213355_100011493684 [0,1,0,0,0,1|2,0,0]=4 3527 B17R2.157 COCc1ccccc1c2ccc(cc2)Cl 271570a_100011216666_100000755918 [0,1,0,0,0,1|2,0,0]=4 3528 B17R2.157 COCc1ccccc1c2ccc(cc2)F 271570a_100011216666_100000211213 [0,1,0,0,0,1|2,0,0]=4 3529 B17R2.157 COCc1ccccc1c2ccc(cc2)F 271570a_100011934326_100011493684 [0,1,0,0,0,1|2,0,0]=4 3530 B17R2.157 COCc1ccccc1c2ccc(cc2)I 271570a_100000033156_100011493684 [0,1,0,0,0,1|2,0,0]=4 3531 B17R2.157 COCc1ccccc1c2ccc(cc2)N 271570a_100011216666_100000185761 [0,1,0,0,0,1|2,0,0]=4 3532 B17R2.157 COCc1ccccc1c2ccc(cc2)N 271570a_100015188457_100011493684 [0,1,0,0,0,1|2,0,0]=4 3533 B17R2.157 COCc1ccccc1c2ccc(cc2)O 271570a_100011216666_100000185759 [0,1,0,0,0,1|2,0,0]=4 3534 B17R2.157 COCc1ccccc1c2ccc(cc2)O 271570a_100015205159_100011493684 [0,1,0,0,0,1|2,0,0]=4 3535 B17R2.157 COCc1ccccc1c2ccc(cn2)Br 271570a_100011216666_100000686858 [0,1,0,0,0,1|2,0,0]=4 3536 B17R2.157 COCc1ccccc1c2ccc(cn2)C 271570a_100000066433_100011493684 [0,1,0,0,0,1|2,0,0]=4 3537 B17R2.157 COCc1ccccc1c2ccc(cn2)C 271570a_100011216666_100000754016 [0,1,0,0,0,1|2,0,0]=4 3538 B17R2.157 COCc1ccccc1c2ccc(cn2)Cl 271570a_100011216666_100011356976 [0,1,0,0,0,1|2,0,0]=4 3539 B17R2.157 COCc1ccccc1c2ccc(cn2)Cl 271570a_200000049369_100011493684 [0,1,0,0,0,1|2,0,0]=4 3540 B17R2.157 COCc1ccccc1c2ccc(cn2)F 271570a_100000117362_100011493684 [0,1,0,0,0,1|2,0,0]=4 3541 B17R2.157 COCc1ccccc1c2ccc(cn2)F 271570a_100011216666_100000744514 [0,1,0,0,0,1|2,0,0]=4 3542 B17R2.157 COCc1ccccc1c2ccc(cn2)N 271570a_100011216666_100000744251 [0,1,0,0,0,1|2,0,0]=4 3543 B17R2.157 COCc1ccccc1c2ccc(cn2)O 271570a_100011216666_100000685995 [0,1,0,0,0,1|2,0,0]=4 3544 B17R2.157 COCc1ccccc1c2ccc(nc2)Br 271570a_100011216666_100009814638 [0,1,0,0,0,1|2,0,0]=4 3545 B17R2.157 COCc1ccccc1c2ccc(nc2)C 271570a_100011216666_100000751577 [0,1,0,0,0,1|2,0,0]=4 3546 B17R2.157 COCc1ccccc1c2ccc(nc2)C 271570a_100012354835_100011493684 [0,1,0,0,0,1|2,0,0]=4 3547 B17R2.157 COCc1ccccc1c2ccc(nc2)Cl 271570a_100000037156_100011493684 [0,1,0,0,0,1|2,0,0]=4 3548 B17R2.157 COCc1ccccc1c2ccc(nc2)Cl 271570a_100011216666_100000034144 [0,1,0,0,0,1|2,0,0]=4 3549 B17R2.157 COCc1ccccc1c2ccc(nc2)F 271570a_100000041719_100011493684 [0,1,0,0,0,1|2,0,0]=4 3550 B17R2.157 COCc1ccccc1c2ccc(nc2)F 271570a_100011216666_100000748661 [0,1,0,0,0,1|2,0,0]=4 3551 B17R2.157 COCc1ccccc1c2ccc(nc2)N 271570a_100000062249_100011493684 [0,1,0,0,0,1|2,0,0]=4 3552 B17R2.157 COCc1ccccc1c2ccc(nc2)N 271570a_100011216666_100000187370 [0,1,0,0,0,1|2,0,0]=4 3553 B17R2.157 COCc1ccccc1c2ccc(nc2)O 271570a_100000062254_100011493684 [0,1,0,0,0,1|2,0,0]=4 3554 B17R2.157 COCc1ccccc1c2ccc(nn2)C 271570a_100011216666_100011450037 [0,1,0,0,0,1|2,0,0]=4 3555 B17R2.157 COCc1ccccc1c2ccc(nn2)N 271570a_100011216666_100009816609 [0,1,0,0,0,1|2,0,0]=4 3556 B17R2.157 COCc1ccccc1c2cnc(cn2)C 271570a_100011216666_100011999403 [0,1,0,0,0,1|2,0,0]=4 3557 B17R2.157 COCc1ccccc1c2cnc(cn2)F 271570a_100011216666_100009856528 [0,1,0,0,0,1|2,0,0]=4 3558 B17R2.157 COCc1ccccc1c2cnc(cn2)N 271570a_100011216666_100000761932 [0,1,0,0,0,1|2,0,0]=4 3559 B17R2.157 COCc1ccccc1c2ncc(cn2)Br 271570a_100011216666_100000690281 [0,1,0,0,0,1|2,0,0]=4 3560 B17R2.157 COCc1ccccc1c2ncc(cn2)C 271570a_100011216666_100011825175 [0,1,0,0,0,1|2,0,0]=4 3561 B17R2.157 COCc1ccccc1c2ncc(cn2)Cl 271570a_100011216666_100011356929 [0,1,0,0,0,1|2,0,0]=4 3562 B17R2.157 COCc1ccccc1c2ncc(cn2)F 271570a_100011216666_100000685220 [0,1,0,0,0,1|2,0,0]=4 3563 B17R2.157 COCc1ccccc1c2ncc(cn2)N 271570a_100011216666_100000068403 [0,1,0,0,0,1|2,0,0]=4 3564 B17R2.157 COCc1ccccc1c2ncc(cn2)O 271570a_100011216666_100000730009 [0,1,0,0,0,1|2,0,0]=4 3565 B17R2.157 CSCc1ccccc1c2cc[n+](cc2)C 271570a_100010897472_100000148299 [0,1,0,0,0,1|2,0,0]=4 3566 B17R2.157 CSCc1ccccc1c2ccc(cc2)Br 271570a_100010235827_100000148299 [0,1,0,0,0,1|2,0,0]=4 3567 B17R2.157 CSCc1ccccc1c2ccc(cc2)C 271570a_100000708704_100000148299 [0,1,0,0,0,1|2,0,0]=4 3568 B17R2.157 CSCc1ccccc1c2ccc(cc2)Cl 271570a_100011213355_100000148299 [0,1,0,0,0,1|2,0,0]=4 3569 B17R2.157 CSCc1ccccc1c2ccc(cc2)F 271570a_100011934326_100000148299 [0,1,0,0,0,1|2,0,0]=4 3570 B17R2.157 CSCc1ccccc1c2ccc(cc2)I 271570a_100000033156_100000148299 [0,1,0,0,0,1|2,0,0]=4 3571 B17R2.157 CSCc1ccccc1c2ccc(cc2)N 271570a_100015188457_100000148299 [0,1,0,0,0,1|2,0,0]=4 3572 B17R2.157 CSCc1ccccc1c2ccc(cc2)O 271570a_100015205159_100000148299 [0,1,0,0,0,1|2,0,0]=4 3573 B17R2.157 CSCc1ccccc1c2ccc(cn2)C 271570a_100000066433_100000148299 [0,1,0,0,0,1|2,0,0]=4 3574 B17R2.157 CSCc1ccccc1c2ccc(cn2)Cl 271570a_200000049369_100000148299 [0,1,0,0,0,1|2,0,0]=4 3575 B17R2.157 CSCc1ccccc1c2ccc(cn2)F 271570a_100000117362_100000148299 [0,1,0,0,0,1|2,0,0]=4 3576 B17R2.157 CSCc1ccccc1c2ccc(nc2)C 271570a_100012354835_100000148299 [0,1,0,0,0,1|2,0,0]=4 3577 B17R2.157 CSCc1ccccc1c2ccc(nc2)Cl 271570a_100000037156_100000148299 [0,1,0,0,0,1|2,0,0]=4 3578 B17R2.157 CSCc1ccccc1c2ccc(nc2)F 271570a_100000041719_100000148299 [0,1,0,0,0,1|2,0,0]=4 3579 B17R2.157 CSCc1ccccc1c2ccc(nc2)N 271570a_100000062249_100000148299 [0,1,0,0,0,1|2,0,0]=4 3580 B17R2.157 CSCc1ccccc1c2ccc(nc2)O 271570a_100000062254_100000148299 [0,1,0,0,0,1|2,0,0]=4 3581 B17R2.157 C[n+]1ccc(cc1)c2ccccc2CNN 271570a_100010897472_200016993956 [0,1,0,0,0,1|2,0,0]=4 3582 B17R2.157 Cc1ccc(cc1)c2ccccc2CNN 271570a_100000708704_200016993956 [0,1,0,0,0,1|2,0,0]=4 3583 B17R2.157 Cc1ccc(cc1)c2ccccc2CO[13CH3] 34a_200000082336_200025704644 [0,1,0,0,0,1|2,0,0]=4 3584 B17R2.157 Cc1ccc(cc1)c2ccccc2CO[13CH3] 7a_200000082336_200025704644 [0,1,0,0,0,1|2,0,0]=4 3585 B17R2.157 Cc1ccc(cn1)c2ccccc2CNN 271570a_100012354835_200016993956 [0,1,0,0,0,1|2,0,0]=4 3586 B17R2.157 Cc1ccc(nc1)c2ccccc2CNN 271570a_100000066433_200016993956 [0,1,0,0,0,1|2,0,0]=4 3587 B17R2.157 NNCc1ccccc1c2ccc(cc2)Br 271570a_100010235827_200016993956 [0,1,0,0,0,1|2,0,0]=4 3588 B17R2.157 NNCc1ccccc1c2ccc(cc2)Cl 271570a_100011213355_200016993956 [0,1,0,0,0,1|2,0,0]=4 3589 B17R2.157 NNCc1ccccc1c2ccc(cc2)F 271570a_100011934326_200016993956 [0,1,0,0,0,1|2,0,0]=4 3590 B17R2.157 NNCc1ccccc1c2ccc(cc2)I 271570a_100000033156_200016993956 [0,1,0,0,0,1|2,0,0]=4 3591 B17R2.157 NNCc1ccccc1c2ccc(cc2)N 271570a_100015188457_200016993956 [0,1,0,0,0,1|2,0,0]=4 3592 B17R2.157 NNCc1ccccc1c2ccc(cc2)O 271570a_100015205159_200016993956 [0,1,0,0,0,1|2,0,0]=4 3593 B17R2.157 NNCc1ccccc1c2ccc(cn2)Cl 271570a_200000049369_200016993956 [0,1,0,0,0,1|2,0,0]=4 3594 B17R2.157 NNCc1ccccc1c2ccc(cn2)F 271570a_100000117362_200016993956 [0,1,0,0,0,1|2,0,0]=4 3595 B17R2.157 NNCc1ccccc1c2ccc(nc2)Cl 271570a_100000037156_200016993956 [0,1,0,0,0,1|2,0,0]=4 3596 B17R2.157 NNCc1ccccc1c2ccc(nc2)F 271570a_100000041719_200016993956 [0,1,0,0,0,1|2,0,0]=4 3597 B17R2.157 NNCc1ccccc1c2ccc(nc2)N 271570a_100000062249_200016993956 [0,1,0,0,0,1|2,0,0]=4 3598 B17R2.157 NNCc1ccccc1c2ccc(nc2)O 271570a_100000062254_200016993956 [0,1,0,0,0,1|2,0,0]=4 3599 B17R2.157 [13CH3]NCc1ccccc1c2ccc(cc2)F 34a_200020612205_200025704644 [0,1,0,0,0,1|1,0,0]=3 3600 B17R2.231 CCC(C)c1ccccc1c2ccccc2 271570a_200160469096_100000210277 [0,1,0,0,0,1|2,0,0]=4 3601 B17R2.231 CCC(C)c1ccccc1c2ccccn2 271570a_200160469096_100011216584 [0,1,0,0,0,1|2,0,0]=4 3602 B17R2.231 CCC(C)c1ccccc1c2cccnc2 271570a_200160469096_100000752921 [0,1,0,0,0,1|2,0,0]=4 3603 B17R2.231 CCC(C)c1ccccc1c2cccnn2 271570a_200160469096_100016991348 [0,1,0,0,0,1|2,0,0]=4 3604 B17R2.231 CCC(C)c1ccccc1c2ccncc2 271570a_200160469096_100000035832 [0,1,0,0,0,1|2,0,0]=4 3605 B17R2.231 CCC(C)c1ccccc1c2ccncn2 271570a_200160469096_100000703185 [0,1,0,0,0,1|2,0,0]=4 3606 B17R2.231 CCC(C)c1ccccc1c2cnccn2 271570a_200160469096_100000758340 [0,1,0,0,0,1|2,0,0]=4 3607 B17R2.231 CCC(C)c1ccccc1c2ncccn2 271570a_200160469096_100000211032 [0,1,0,0,0,1|2,0,0]=4 3608 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 11a_106832991635_100000211553 [0,1,0,0,0,1|1,0,1]=4 3609 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 1626a_100102657272_100000211553 [0,1,0,0,0,1|1,0,1]=4 3610 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 240690a_100102657272_100000211553 [0,1,0,0,0,1|1,0,1]=4 3611 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 271570a_100010369252_100000210277 [0,1,0,0,0,1|1,0,1]=4 3612 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 271570a_100011218836_100000155073 [0,1,0,0,0,1|1,0,1]=4 3613 B17R2.231 CNC(=O)c1ccccc1c2ccccn2 1626a_100102657272_200011894344 [0,1,0,0,0,1|1,0,1]=4 3614 B17R2.231 CNC(=O)c1ccccc1c2ccccn2 240690a_100102657272_200011894344 [0,1,0,0,0,1|1,0,1]=4 3615 B17R2.231 CNC(=O)c1ccccc1c2ccccn2 271570a_100010369252_100011216584 [0,1,0,0,0,1|1,0,1]=4 3616 B17R2.231 CNC(=O)c1ccccc1c2ccccn2 271570a_100011264011_100000155073 [0,1,0,0,0,1|1,0,1]=4 3617 B17R2.231 CNC(=O)c1ccccc1c2ccccn2 527a_100102657272_200011894344 [0,1,0,0,0,1|1,0,1]=4 3618 B17R2.231 CNC(=O)c1ccccc1c2cccnc2 1626a_100102657272_100011399806 [0,1,0,0,0,1|1,0,1]=4 3619 B17R2.231 CNC(=O)c1ccccc1c2cccnc2 240690a_100102657272_100011399806 [0,1,0,0,0,1|1,0,1]=4 3620 B17R2.231 CNC(=O)c1ccccc1c2cccnc2 271570a_100000757648_100000155073 [0,1,0,0,0,1|1,0,1]=4 3621 B17R2.231 CNC(=O)c1ccccc1c2cccnc2 271570a_100010369252_100000752921 [0,1,0,0,0,1|1,0,1]=4 3622 B17R2.231 CNC(=O)c1ccccc1c2cccnc2 527a_100102657272_100011399806 [0,1,0,0,0,1|1,0,1]=4 3623 B17R2.231 CNC(=O)c1ccccc1c2cccnn2 271570a_100010369252_100016991348 [0,1,0,0,0,1|1,0,1]=4 3624 B17R2.231 CNC(=O)c1ccccc1c2ccncc2 11a_106832991635_100025775821 [0,1,0,0,0,1|1,0,1]=4 3625 B17R2.231 CNC(=O)c1ccccc1c2ccncc2 1626a_100102657272_100025775821 [0,1,0,0,0,1|1,0,1]=4 3626 B17R2.231 CNC(=O)c1ccccc1c2ccncc2 240690a_100102657272_100025775821 [0,1,0,0,0,1|1,0,1]=4 3627 B17R2.231 CNC(=O)c1ccccc1c2ccncc2 271570a_100000752145_100000155073 [0,1,0,0,0,1|1,0,1]=4 3628 B17R2.231 CNC(=O)c1ccccc1c2ccncc2 271570a_100010369252_100000035832 [0,1,0,0,0,1|1,0,1]=4 3629 B17R2.231 CNC(=O)c1ccccc1c2ccncn2 271570a_100010369252_100000703185 [0,1,0,0,0,1|1,0,1]=4 3630 B17R2.231 CNC(=O)c1ccccc1c2cnccn2 271570a_100010369252_100000758340 [0,1,0,0,0,1|1,0,1]=4 3631 B17R2.231 CNC(=O)c1ccccc1c2cnccn2 271570a_100011962566_100000155073 [0,1,0,0,0,1|1,0,1]=4 3632 B17R2.231 CNC(=O)c1ccccc1c2ncccn2 271570a_100010369252_100000211032 [0,1,0,0,0,1|1,0,1]=4 3633 B17R2.231 CNC(C)c1ccccc1c2ccccc2 269862a_106832991636_100011191951 [0,1,0,0,0,1|1,0,0]=3 3634 B17R2.231 CNC(C)c1ccccc1c2ccccc2 271570a_100011218836_100000692418 [0,1,0,0,0,1|1,0,0]=3 3635 B17R2.231 CNC(C)c1ccccc1c2ccccn2 271570a_100011264011_100000692418 [0,1,0,0,0,1|1,0,0]=3 3636 B17R2.231 CNC(C)c1ccccc1c2cccnc2 271570a_100000757648_100000692418 [0,1,0,0,0,1|1,0,0]=3 3637 B17R2.231 CNC(C)c1ccccc1c2ccncc2 271570a_100000752145_100000692418 [0,1,0,0,0,1|1,0,0]=3 3638 B17R2.231 CNC(C)c1ccccc1c2cnccn2 271570a_100011962566_100000692418 [0,1,0,0,0,1|1,0,0]=3 3639 B17R2.231 CNC(C)c1ccccc1c2cncnc2 271570a_100000707473_100000692418 [0,1,0,0,0,1|2,0,0]=4 3640 B17R2.242 CCCCc1ccccc1c2ccccc2 271570a_100020621405_100000033479 [0,1,0,0,0,1|2,0,0]=4 3641 B17R2.242 CCCCc1ccccc1c2ccccn2 271570a_100020621405_100010202516 [0,1,0,0,0,1|2,0,0]=4 3642 B17R2.242 CCCCc1ccccc1c2ccncc2 271570a_100020621405_100010154595 [0,1,0,0,0,1|2,0,0]=4 3643 B17R2.242 CCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000210303 [0,1,0,0,0,1|2,0,0]=4 3644 B17R2.242 CCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000210303 [0,1,0,0,0,1|2,0,0]=4 3645 B17R2.242 CCCNc1ccccc1c2ccccc2 34a_100000210918_100000210303 [0,1,0,0,0,1|2,0,0]=4 3646 B17R2.242 CCCOc1ccccc1c2ccccc2 271570a_100011216077_100000210277 [0,1,0,0,0,1|2,0,0]=4 3647 B17R2.242 CCCOc1ccccc1c2ccccc2 271570a_100011218836_100000174042 [0,1,0,0,0,1|2,0,0]=4 3648 B17R2.242 CCCOc1ccccc1c2ccccc2 34a_100000210297_100000210303 [0,1,0,0,0,1|2,0,0]=4 3649 B17R2.242 CCCOc1ccccc1c2ccccc2 7a_100000210297_100000210303 [0,1,0,0,0,1|2,0,0]=4 3650 B17R2.242 CCCOc1ccccc1c2ccccn2 271570a_100011216077_100011216584 [0,1,0,0,0,1|2,0,0]=4 3651 B17R2.242 CCCOc1ccccc1c2ccccn2 271570a_100011264011_100000174042 [0,1,0,0,0,1|2,0,0]=4 3652 B17R2.242 CCCOc1ccccc1c2ccccn2 34a_100012186605_100000210303 [0,1,0,0,0,1|2,0,0]=4 3653 B17R2.242 CCCOc1ccccc1c2ccccn2 7a_100012186605_100000210303 [0,1,0,0,0,1|2,0,0]=4 3654 B17R2.242 CCCOc1ccccc1c2cccnc2 271570a_100000757648_100000174042 [0,1,0,0,0,1|2,0,0]=4 3655 B17R2.242 CCCOc1ccccc1c2cccnc2 271570a_100011216077_100000752921 [0,1,0,0,0,1|2,0,0]=4 3656 B17R2.242 CCCOc1ccccc1c2cccnn2 271570a_100011216077_100016991348 [0,1,0,0,0,1|2,0,0]=4 3657 B17R2.242 CCCOc1ccccc1c2ccncc2 271570a_100000752145_100000174042 [0,1,0,0,0,1|2,0,0]=4 3658 B17R2.242 CCCOc1ccccc1c2ccncc2 271570a_100011216077_100000035832 [0,1,0,0,0,1|2,0,0]=4 3659 B17R2.242 CCCOc1ccccc1c2ccncn2 271570a_100011216077_100000703185 [0,1,0,0,0,1|2,0,0]=4 3660 B17R2.242 CCCOc1ccccc1c2cnccn2 271570a_100011216077_100000758340 [0,1,0,0,0,1|2,0,0]=4 3661 B17R2.242 CCCOc1ccccc1c2cnccn2 271570a_100011962566_100000174042 [0,1,0,0,0,1|2,0,0]=4 3662 B17R2.242 CCCOc1ccccc1c2ncccn2 271570a_100011216077_100000211032 [0,1,0,0,0,1|2,0,0]=4 3663 B17R2.242 CCCSc1ccccc1c2ccccc2 62a_100000033479_100000210303 [0,1,0,0,0,1|2,0,0]=4 3664 B17R2.242 CCCSc1ccccc1c2ccccc2 62a_100000210303_100000033479 [0,1,0,0,0,1|2,0,0]=4 3665 B17R2.242 CCCSc1ccccc1c2ccccn2 62a_100000210303_100010202516 [0,1,0,0,0,1|2,0,0]=4 3666 B17R2.242 CCCSc1ccccc1c2ccccn2 62a_100010202516_100000210303 [0,1,0,0,0,1|2,0,0]=4 3667 B17R2.242 CCCSc1ccccc1c2ccncc2 62a_100000210303_100010154595 [0,1,0,0,0,1|2,0,0]=4 3668 B17R2.242 CCCSc1ccccc1c2ccncc2 62a_100010154595_100000210303 [0,1,0,0,0,1|2,0,0]=4 3669 B17R2.242 CCNCc1ccccc1c2ccccc2 207a_100015525214_100011219292 [0,1,0,0,0,1|1,0,0]=3 3670 B17R2.242 CCNCc1ccccc1c2ccccc2 2230a_100015525214_100009813379 [0,1,0,0,0,1|1,0,0]=3 3671 B17R2.242 CCNCc1ccccc1c2ccccc2 270004a_100015525214_100011219292 [0,1,0,0,0,1|1,0,0]=3 3672 B17R2.242 CCNCc1ccccc1c2ccccc2 34a_100000071662_100000210202 [0,1,0,0,0,1|1,0,0]=3 3673 B17R2.242 CCNCc1ccccc1c2cccnc2 207a_100015525214_100011219294 [0,1,0,0,0,1|1,0,0]=3 3674 B17R2.242 CCNCc1ccccc1c2cccnc2 270004a_100015525214_100011219294 [0,1,0,0,0,1|1,0,0]=3 3675 B17R2.242 CCNCc1ccccc1c2ccncc2 207a_100015525214_100011219295 [0,1,0,0,0,1|1,0,0]=3 3676 B17R2.242 CCNCc1ccccc1c2ccncc2 270004a_100015525214_100011219295 [0,1,0,0,0,1|1,0,0]=3 3677 B17R2.242 CCNCc1ccccc1c2cncnc2 270004a_100015525214_100011219293 [0,1,0,0,0,1|2,0,0]=4 3678 B17R2.242 CCOCc1ccccc1c2ccccc2 271570a_100011218836_200011493690 [0,1,0,0,0,1|2,0,0]=4 3679 B17R2.242 CCOCc1ccccc1c2ccccc2 34a_100000032370_100000210202 [0,1,0,0,0,1|2,0,0]=4 3680 B17R2.242 CCOCc1ccccc1c2ccccc2 34a_100121572206_100009813379 [0,1,0,0,0,1|2,0,0]=4 3681 B17R2.242 CCOCc1ccccc1c2ccccc2 7a_100000032370_100000210202 [0,1,0,0,0,1|2,0,0]=4 3682 B17R2.242 CCOCc1ccccc1c2ccccn2 271570a_100011264011_200011493690 [0,1,0,0,0,1|2,0,0]=4 3683 B17R2.242 CCOCc1ccccc1c2cccnc2 271570a_100000757648_200011493690 [0,1,0,0,0,1|2,0,0]=4 3684 B17R2.242 CCOCc1ccccc1c2ccncc2 271570a_100000752145_200011493690 [0,1,0,0,0,1|2,0,0]=4 3685 B17R2.242 CCOCc1ccccc1c2cnccn2 271570a_100011962566_200011493690 [0,1,0,0,0,1|2,0,0]=4 3686 B17R2.242 CCSCc1ccccc1c2ccccc2 271570a_100011218836_200000173030 [0,1,0,0,0,1|2,0,0]=4 3687 B17R2.242 CCSCc1ccccc1c2ccccc2 62a_100000210202_100009813379 [0,1,0,0,0,1|2,0,0]=4 3688 B17R2.242 CCSCc1ccccc1c2ccccc2 62a_100009813379_100000210202 [0,1,0,0,0,1|2,0,0]=4 3689 B17R2.242 CCSCc1ccccc1c2ccccn2 271570a_100011264011_200000173030 [0,1,0,0,0,1|2,0,0]=4 3690 B17R2.242 CCSCc1ccccc1c2cccnc2 271570a_100000757648_200000173030 [0,1,0,0,0,1|2,0,0]=4 3691 B17R2.242 CCSCc1ccccc1c2ccncc2 271570a_100000752145_200000173030 [0,1,0,0,0,1|2,0,0]=4 3692 B17R2.242 CCSCc1ccccc1c2cnccn2 271570a_100011962566_200000173030 [0,1,0,0,0,1|2,0,0]=4 3693 B17R2.242 COCOc1ccccc1c2ccccc2 271570a_100011218836_200000230759 [0,1,0,0,0,1|2,0,0]=4 3694 B17R2.242 COCOc1ccccc1c2ccccc2 271570a_100012001573_100000210277 [0,1,0,0,0,1|2,0,0]=4 3695 B17R2.242 COCOc1ccccc1c2ccccn2 271570a_100011264011_200000230759 [0,1,0,0,0,1|2,0,0]=4 3696 B17R2.242 COCOc1ccccc1c2ccccn2 271570a_100012001573_100011216584 [0,1,0,0,0,1|2,0,0]=4 3697 B17R2.242 COCOc1ccccc1c2cccnc2 271570a_100000757648_200000230759 [0,1,0,0,0,1|2,0,0]=4 3698 B17R2.242 COCOc1ccccc1c2cccnc2 271570a_100012001573_100000752921 [0,1,0,0,0,1|2,0,0]=4 3699 B17R2.242 COCOc1ccccc1c2cccnn2 271570a_100012001573_100016991348 [0,1,0,0,0,1|2,0,0]=4 3700 B17R2.242 COCOc1ccccc1c2ccncc2 271570a_100000752145_200000230759 [0,1,0,0,0,1|2,0,0]=4 3701 B17R2.242 COCOc1ccccc1c2ccncc2 271570a_100012001573_100000035832 [0,1,0,0,0,1|2,0,0]=4 3702 B17R2.242 COCOc1ccccc1c2ccncn2 271570a_100012001573_100000703185 [0,1,0,0,0,1|2,0,0]=4 3703 B17R2.242 COCOc1ccccc1c2cnccn2 271570a_100011962566_200000230759 [0,1,0,0,0,1|2,0,0]=4 3704 B17R2.242 COCOc1ccccc1c2cnccn2 271570a_100012001573_100000758340 [0,1,0,0,0,1|2,0,0]=4 3705 B17R2.242 COCOc1ccccc1c2ncccn2 271570a_100012001573_100000211032 [0,1,0,0,0,1|2,0,0]=4 3706 B17R2.242 COCSc1ccccc1c2ccccc2 62a_100000033479_100000766300 [0,1,0,0,0,1|2,0,0]=4 3707 B17R2.242 COCSc1ccccc1c2ccccc2 62a_100000766300_100000033479 [0,1,0,0,0,1|2,0,0]=4 3708 B17R2.242 COCSc1ccccc1c2ccccn2 62a_100000766300_100010202516 [0,1,0,0,0,1|2,0,0]=4 3709 B17R2.242 COCSc1ccccc1c2ccccn2 62a_100010202516_100000766300 [0,1,0,0,0,1|2,0,0]=4 3710 B17R2.242 COCSc1ccccc1c2ccncc2 62a_100000766300_100010154595 [0,1,0,0,0,1|2,0,0]=4 3711 B17R2.242 COCSc1ccccc1c2ccncc2 62a_100010154595_100000766300 [0,1,0,0,0,1|2,0,0]=4 3712 B17R2.242 CSCNc1ccccc1c2[c-]cccc2 34a_107093835030_100011218213 [0,1,0,0,0,1|2,0,0]=4 3713 B17R2.242 CSCNc1ccccc1c2ccccc2 34a_100000210918_100011218213 [0,1,0,0,0,1|2,0,0]=4 3714 B17R2.242 CSCOc1ccccc1c2ccccc2 34a_100000210297_100011218213 [0,1,0,0,0,1|2,0,0]=4 3715 B17R2.242 CSCOc1ccccc1c2ccccn2 34a_100012186605_100011218213 [0,1,0,0,0,1|2,0,0]=4 3716 B17R2.242 CSCSc1ccccc1c2ccccc2 62a_100000033479_100011218213 [0,1,0,0,0,1|2,0,0]=4 3717 B17R2.242 CSCSc1ccccc1c2ccccc2 62a_100011218213_100000033479 [0,1,0,0,0,1|2,0,0]=4 3718 B17R2.242 CSCSc1ccccc1c2ccccn2 62a_100010202516_100011218213 [0,1,0,0,0,1|2,0,0]=4 3719 B17R2.242 CSCSc1ccccc1c2ccccn2 62a_100011218213_100010202516 [0,1,0,0,0,1|2,0,0]=4 3720 B17R2.242 CSCSc1ccccc1c2ccncc2 62a_100010154595_100011218213 [0,1,0,0,0,1|2,0,0]=4 3721 B17R2.242 CSCSc1ccccc1c2ccncc2 62a_100011218213_100010154595 [0,1,0,0,0,1|2,0,0]=4 3722 B17R2.242 FCNCc1ccccc1c2ccccc2 34a_100000071662_100015361967 [0,1,0,0,0,1|1,0,0]=3 3723 B17R2.242 FCOCc1ccccc1c2ccccc2 34a_100000032370_100015361967 [0,1,0,0,0,1|2,0,0]=4 3724 B17R2.242 FCOCc1ccccc1c2ccccc2 7a_100000032370_100015361967 [0,1,0,0,0,1|2,0,0]=4 3725 B17R2.242 FCSCc1ccccc1c2ccccc2 62a_100009813379_100015361967 [0,1,0,0,0,1|2,0,0]=4 3726 B17R2.242 FCSCc1ccccc1c2ccccc2 62a_100015361967_100009813379 [0,1,0,0,0,1|2,0,0]=4 3727 B17R2.242 OCCCc1ccccc1c2ccccc2 271570a_100011218836_100000699526 [0,1,0,0,0,1|2,0,0]=4 3728 B17R2.242 OCCCc1ccccc1c2ccccn2 271570a_100011264011_100000699526 [0,1,0,0,0,1|2,0,0]=4 3729 B17R2.242 OCCCc1ccccc1c2cccnc2 271570a_100000757648_100000699526 [0,1,0,0,0,1|2,0,0]=4 3730 B17R2.242 OCCCc1ccccc1c2ccncc2 271570a_100000752145_100000699526 [0,1,0,0,0,1|2,0,0]=4 3731 B17R2.242 OCCCc1ccccc1c2cnccn2 271570a_100011962566_100000699526 [0,1,0,0,0,1|2,0,0]=4 3732 B17R2.248 CC(=O)Cc1ccccc1c2ccccc2 1458a_100000055146_200000210301 [0,1,0,0,0,1|2,0,0]=4 3733 B17R2.248 CC(=O)Cc1ccccc1c2ccccc2 1458a_100000070787_100009813379 [0,1,0,0,0,1|2,0,0]=4 3734 B17R2.248 CC(=O)Cc1ccccc1c2ccccc2 271570a_100011218836_100011350739 [0,1,0,0,0,1|2,0,0]=4 3735 B17R2.248 CC(=O)Cc1ccccc1c2ccccn2 271570a_100011264011_100011350739 [0,1,0,0,0,1|2,0,0]=4 3736 B17R2.248 CC(=O)Cc1ccccc1c2cccnc2 271570a_100000757648_100011350739 [0,1,0,0,0,1|2,0,0]=4 3737 B17R2.248 CC(=O)Cc1ccccc1c2ccncc2 271570a_100000752145_100011350739 [0,1,0,0,0,1|2,0,0]=4 3738 B17R2.248 CC(=O)Cc1ccccc1c2cnccn2 271570a_100011962566_100011350739 [0,1,0,0,0,1|2,0,0]=4 3739 B17R2.248 CC(C)Cc1ccccc1c2ccccc2 271570a_200010047045_100000210277 [0,1,0,0,0,1|2,0,0]=4 3740 B17R2.248 CC(C)Cc1ccccc1c2ccccn2 271570a_200010047045_100011216584 [0,1,0,0,0,1|2,0,0]=4 3741 B17R2.248 CC(C)Cc1ccccc1c2cccnc2 271570a_200010047045_100000752921 [0,1,0,0,0,1|2,0,0]=4 3742 B17R2.248 CC(C)Cc1ccccc1c2cccnn2 271570a_200010047045_100016991348 [0,1,0,0,0,1|2,0,0]=4 3743 B17R2.248 CC(C)Cc1ccccc1c2ccncc2 271570a_200010047045_100000035832 [0,1,0,0,0,1|2,0,0]=4 3744 B17R2.248 CC(C)Cc1ccccc1c2ccncn2 271570a_200010047045_100000703185 [0,1,0,0,0,1|2,0,0]=4 3745 B17R2.248 CC(C)Cc1ccccc1c2cnccn2 271570a_200010047045_100000758340 [0,1,0,0,0,1|2,0,0]=4 3746 B17R2.248 CC(C)Cc1ccccc1c2ncccn2 271570a_200010047045_100000211032 [0,1,0,0,0,1|2,0,0]=4 3747 B17R2.248 CN(C)Cc1ccccc1c2ccccc2 2230a_100102631434_100009813379 [0,1,0,0,0,1|1,0,0]=3 3748 B17R2.248 CN(C)Cc1ccccc1c2ccccc2 269982a_100102631434_100009813379 [0,1,0,0,0,1|1,0,0]=3 3749 B17R2.248 CN(C)Cc1ccccc1c2ccccc2 270004a_100102631434_100011219292 [0,1,0,0,0,1|1,0,0]=3 3750 B17R2.248 CN(C)Cc1ccccc1c2ccccc2 271570a_100011218836_100000174758 [0,1,0,0,0,1|1,0,0]=3 3751 B17R2.248 CN(C)Cc1ccccc1c2ccccc2 271570a_100012356114_100000210277 [0,1,0,0,0,1|1,0,0]=3 3752 B17R2.248 CN(C)Cc1ccccc1c2ccccn2 271570a_100011264011_100000174758 [0,1,0,0,0,1|1,0,0]=3 3753 B17R2.248 CN(C)Cc1ccccc1c2ccccn2 271570a_100012356114_100011216584 [0,1,0,0,0,1|1,0,0]=3 3754 B17R2.248 CN(C)Cc1ccccc1c2cccnc2 270004a_100102631434_100011219294 [0,1,0,0,0,1|1,0,0]=3 3755 B17R2.248 CN(C)Cc1ccccc1c2cccnc2 271570a_100000757648_100000174758 [0,1,0,0,0,1|1,0,0]=3 3756 B17R2.248 CN(C)Cc1ccccc1c2cccnc2 271570a_100012356114_100000752921 [0,1,0,0,0,1|1,0,0]=3 3757 B17R2.248 CN(C)Cc1ccccc1c2cccnn2 271570a_100012356114_100016991348 [0,1,0,0,0,1|1,0,0]=3 3758 B17R2.248 CN(C)Cc1ccccc1c2ccncc2 270004a_100102631434_100011219295 [0,1,0,0,0,1|1,0,0]=3 3759 B17R2.248 CN(C)Cc1ccccc1c2ccncc2 271570a_100000752145_100000174758 [0,1,0,0,0,1|1,0,0]=3 3760 B17R2.248 CN(C)Cc1ccccc1c2ccncc2 271570a_100012356114_100000035832 [0,1,0,0,0,1|1,0,0]=3 3761 B17R2.248 CN(C)Cc1ccccc1c2ccncn2 271570a_100012356114_100000703185 [0,1,0,0,0,1|1,0,0]=3 3762 B17R2.248 CN(C)Cc1ccccc1c2ccnnc2 271570a_100012356114_100000732662 [0,1,0,0,0,1|2,0,0]=4 3763 B17R2.248 CN(C)Cc1ccccc1c2cnccn2 271570a_100011962566_100000174758 [0,1,0,0,0,1|1,0,0]=3 3764 B17R2.248 CN(C)Cc1ccccc1c2cnccn2 271570a_100012356114_100000758340 [0,1,0,0,0,1|1,0,0]=3 3765 B17R2.248 CN(C)Cc1ccccc1c2cncnc2 270004a_100102631434_100011219293 [0,1,0,0,0,1|2,0,0]=4 3766 B17R2.248 CN(C)Cc1ccccc1c2cncnc2 271570a_100000707473_100000174758 [0,1,0,0,0,1|2,0,0]=4 3767 B17R2.248 CN(C)Cc1ccccc1c2cncnc2 271570a_100012356114_100011206942 [0,1,0,0,0,1|2,0,0]=4 3768 B17R2.248 CN(C)Cc1ccccc1c2ncccn2 271570a_100012356114_100000211032 [0,1,0,0,0,1|1,0,0]=3 3769 B17R2.248 [13CH3]C(=O)Cc1ccccc1c2ccccc2 1458a_100000055146_200025704644 [0,1,0,0,0,1|2,0,0]=4 3770 B17R2.4054 CNCc1c(cccc1c2ccccc2)Br 26a_100102657272_200034179028 [0,1,0,0,0,1|1,0,0]=3 3771 B17R2.4054 CNCc1c(cccc1c2ccccc2)F 271570a_100011218836_106744473292 [0,1,0,0,0,1|1,0,0]=3 3772 B17R2.4054 CNCc1c(cccc1c2ccccn2)F 271570a_100011264011_106744473292 [0,1,0,0,0,1|1,0,0]=3 3773 B17R2.4054 CNCc1c(cccc1c2cccnc2)F 271570a_100000757648_106744473292 [0,1,0,0,0,1|1,0,0]=3 3774 B17R2.4054 CNCc1c(cccc1c2ccncc2)F 271570a_100000752145_106744473292 [0,1,0,0,0,1|1,0,0]=3 3775 B17R2.4054 CNCc1c(cccc1c2cnccn2)F 271570a_100011962566_106744473292 [0,1,0,0,0,1|1,0,0]=3 3776 B17R2.4054 CNCc1c(cccc1c2cncnc2)F 271570a_100000707473_106744473292 [0,1,0,0,0,1|2,0,0]=4 3777 B17R2.4286 CNCc1ccccc1c2ccc[nH]c2=O 271570a_100000099769_100000184654 [0,1,0,0,0,1|1,0,0]=3 3778 B17R2.4286 CNCc1ccccc1c2ccccc2C 271570a_100000747142_100000184654 [0,1,0,0,0,1|1,0,0]=3 3779 B17R2.4286 CNCc1ccccc1c2ccccc2Cl 207a_100102657272_100011217033 [0,1,0,0,0,1|1,0,0]=3 3780 B17R2.4286 CNCc1ccccc1c2ccccc2Cl 270004a_106832991635_100011217033 [0,1,0,0,0,1|1,0,0]=3 3781 B17R2.4286 CNCc1ccccc1c2ccccc2Cl 271570a_100011934419_100000184654 [0,1,0,0,0,1|1,0,0]=3 3782 B17R2.4286 CNCc1ccccc1c2ccccc2F 271570a_100000761933_100000184654 [0,1,0,0,0,1|1,0,0]=3 3783 B17R2.4286 CNCc1ccccc1c2ccccc2I 271570a_100000069755_100000184654 [0,1,0,0,0,1|1,0,0]=3 3784 B17R2.4286 CNCc1ccccc1c2ccccc2N 271570a_100000034411_100000184654 [0,1,0,0,0,1|1,0,0]=3 3785 B17R2.4286 CNCc1ccccc1c2ccccc2O 271570a_100000035170_100000184654 [0,1,0,0,0,1|1,0,0]=3 3786 B17R2.4286 CNCc1ccccc1c2cccnc2C 271570a_100011934933_100000184654 [0,1,0,0,0,1|1,0,0]=3 3787 B17R2.4286 CNCc1ccccc1c2cccnc2Cl 271570a_100000047009_100000184654 [0,1,0,0,0,1|1,0,0]=3 3788 B17R2.4286 CNCc1ccccc1c2cccnc2F 271570a_100000042387_100000184654 [0,1,0,0,0,1|1,0,0]=3 3789 B17R2.4286 CNCc1ccccc1c2cccnc2N 271570a_100000071976_100000184654 [0,1,0,0,0,1|1,0,0]=3 3790 B17R2.4286 CNCc1ccccc1c2ccncc2C 271570a_100000701363_100000184654 [0,1,0,0,0,1|1,0,0]=3 3791 B17R2.4286 CNCc1ccccc1c2ccncc2Cl 271570a_100000062318_100000184654 [0,1,0,0,0,1|1,0,0]=3 3792 B17R2.4286 CNCc1ccccc1c2ccncc2F 271570a_100011290801_100000184654 [0,1,0,0,0,1|1,0,0]=3 3793 B17R2.4286 CNCc1ccccc1c2cnccc2C 271570a_100011935247_100000184654 [0,1,0,0,0,1|1,0,0]=3 3794 B17R2.4286 CNCc1ccccc1c2cnccc2Cl 271570a_100000062317_100000184654 [0,1,0,0,0,1|1,0,0]=3 3795 B17R2.4286 CNCc1ccccc1c2cnccc2N 271570a_200010248739_100000184654 [0,1,0,0,0,1|1,0,0]=3 3796 B17R2.4286 CNCc1ccccc1c2cncnc2C 271570a_200010046012_100000184654 [0,1,0,0,0,1|2,0,0]=4 3797 B17R2.4286 CNCc1ccccc1c2ncccc2Cl 271570a_100009857861_100000184654 [0,1,0,0,0,1|1,0,0]=3 3798 B17R2.4286 CNCc1cccnc1c2ccc[nH]c2=O 271570a_100000099769_103496529121 [0,1,0,0,0,1|2,0,0]=4 3799 B17R2.4286 CNCc1cccnc1c2ccccc2C 271570a_100000747142_103496529121 [0,1,0,0,0,1|2,0,0]=4 3800 B17R2.4286 CNCc1cccnc1c2ccccc2Cl 271570a_100011934419_103496529121 [0,1,0,0,0,1|2,0,0]=4 3801 B17R2.4286 CNCc1cccnc1c2ccccc2F 271570a_100000761933_103496529121 [0,1,0,0,0,1|2,0,0]=4 3802 B17R2.4286 CNCc1cccnc1c2ccccc2I 271570a_100000069755_103496529121 [0,1,0,0,0,1|2,0,0]=4 3803 B17R2.4286 CNCc1cccnc1c2ccccc2N 271570a_100000034411_103496529121 [0,1,0,0,0,1|2,0,0]=4 3804 B17R2.4286 CNCc1cccnc1c2ccccc2O 271570a_100000035170_103496529121 [0,1,0,0,0,1|2,0,0]=4 3805 B17R2.4286 CNCc1cccnc1c2cccnc2C 271570a_100011934933_103496529121 [0,1,0,0,0,1|2,0,0]=4 3806 B17R2.4286 CNCc1cccnc1c2cccnc2Cl 271570a_100000047009_103496529121 [0,1,0,0,0,1|2,0,0]=4 3807 B17R2.4286 CNCc1cccnc1c2cccnc2F 271570a_100000042387_103496529121 [0,1,0,0,0,1|2,0,0]=4 3808 B17R2.4286 CNCc1cccnc1c2cccnc2N 271570a_100000071976_103496529121 [0,1,0,0,0,1|2,0,0]=4 3809 B17R2.4286 CNCc1cccnc1c2ccncc2C 271570a_100000701363_103496529121 [0,1,0,0,0,1|2,0,0]=4 3810 B17R2.4286 CNCc1cccnc1c2ccncc2Cl 271570a_100000062318_103496529121 [0,1,0,0,0,1|2,0,0]=4 3811 B17R2.4286 CNCc1cccnc1c2ccncc2F 271570a_100011290801_103496529121 [0,1,0,0,0,1|2,0,0]=4 3812 B17R2.4286 CNCc1cccnc1c2cnccc2C 271570a_100011935247_103496529121 [0,1,0,0,0,1|2,0,0]=4 3813 B17R2.4286 CNCc1cccnc1c2cnccc2Cl 271570a_100000062317_103496529121 [0,1,0,0,0,1|2,0,0]=4 3814 B17R2.4286 CNCc1cccnc1c2cnccc2N 271570a_200010248739_103496529121 [0,1,0,0,0,1|2,0,0]=4 3815 B17R2.4286 CNCc1cccnc1c2ncccc2Cl 271570a_100009857861_103496529121 [0,1,0,0,0,1|2,0,0]=4 3816 B17R2.4286 CNCc1ncccc1c2ccccc2Cl 207a_100102657272_200010998066 [0,1,0,0,0,1|2,0,0]=4 3817 B17R2.4286 CNCc1ncccc1c2ccccc2Cl 270004a_106832991635_200010998066 [0,1,0,0,0,1|2,0,0]=4 3818 B17R2.4286 COCc1ccccc1c2c[nH]ccc2=O 271570a_100011216666_100009998708 [0,1,0,0,0,1|2,0,0]=4 3819 B17R2.4286 COCc1ccccc1c2c[nH]ccc2=S 271570a_100011216666_200012280681 [0,1,0,0,0,1|2,0,0]=4 3820 B17R2.4286 COCc1ccccc1c2ccc[nH]c2=O 271570a_100000099769_100011493684 [0,1,0,0,0,1|2,0,0]=4 3821 B17R2.4286 COCc1ccccc1c2ccc[nH]c2=O 271570a_100011216666_100000050042 [0,1,0,0,0,1|2,0,0]=4 3822 B17R2.4286 COCc1ccccc1c2cccc[n+]2C 271570a_100011216666_100000212160 [0,1,0,0,0,1|2,0,0]=4 3823 B17R2.4286 COCc1ccccc1c2cccc[n+]2[O-] 271570a_100011216666_200000042595 [0,1,0,0,0,1|2,0,0]=4 3824 B17R2.4286 COCc1ccccc1c2ccccc2Br 271570a_100011216666_100000695589 [0,1,0,0,0,1|2,0,0]=4 3825 B17R2.4286 COCc1ccccc1c2ccccc2C 271570a_100000747142_100011493684 [0,1,0,0,0,1|2,0,0]=4 3826 B17R2.4286 COCc1ccccc1c2ccccc2C 271570a_100011216666_100000210755 [0,1,0,0,0,1|2,0,0]=4 3827 B17R2.4286 COCc1ccccc1c2ccccc2C 34a_200000032383_200000210301 [0,1,0,0,0,1|2,0,0]=4 3828 B17R2.4286 COCc1ccccc1c2ccccc2C 7a_200000032383_200000210301 [0,1,0,0,0,1|2,0,0]=4 3829 B17R2.4286 COCc1ccccc1c2ccccc2Cl 271570a_100011216666_100000764095 [0,1,0,0,0,1|2,0,0]=4 3830 B17R2.4286 COCc1ccccc1c2ccccc2Cl 271570a_100011934419_100011493684 [0,1,0,0,0,1|2,0,0]=4 3831 B17R2.4286 COCc1ccccc1c2ccccc2F 271570a_100000761933_100011493684 [0,1,0,0,0,1|2,0,0]=4 3832 B17R2.4286 COCc1ccccc1c2ccccc2F 271570a_100011216666_100011215700 [0,1,0,0,0,1|2,0,0]=4 3833 B17R2.4286 COCc1ccccc1c2ccccc2I 271570a_100000069755_100011493684 [0,1,0,0,0,1|2,0,0]=4 3834 B17R2.4286 COCc1ccccc1c2ccccc2N 271570a_100000034411_100011493684 [0,1,0,0,0,1|2,0,0]=4 3835 B17R2.4286 COCc1ccccc1c2ccccc2N 271570a_100011216666_100000210017 [0,1,0,0,0,1|2,0,0]=4 3836 B17R2.4286 COCc1ccccc1c2ccccc2O 271570a_100000035170_100011493684 [0,1,0,0,0,1|2,0,0]=4 3837 B17R2.4286 COCc1ccccc1c2ccccc2O 271570a_100011216666_100000739446 [0,1,0,0,0,1|2,0,0]=4 3838 B17R2.4286 COCc1ccccc1c2cccnc2Br 271570a_100011216666_100010202626 [0,1,0,0,0,1|2,0,0]=4 3839 B17R2.4286 COCc1ccccc1c2cccnc2C 271570a_100011216666_100000751574 [0,1,0,0,0,1|2,0,0]=4 3840 B17R2.4286 COCc1ccccc1c2cccnc2C 271570a_100011934933_100011493684 [0,1,0,0,0,1|2,0,0]=4 3841 B17R2.4286 COCc1ccccc1c2cccnc2Cl 271570a_100000047009_100011493684 [0,1,0,0,0,1|2,0,0]=4 3842 B17R2.4286 COCc1ccccc1c2cccnc2Cl 271570a_100011216666_100000036424 [0,1,0,0,0,1|2,0,0]=4 3843 B17R2.4286 COCc1ccccc1c2cccnc2F 271570a_100000042387_100011493684 [0,1,0,0,0,1|2,0,0]=4 3844 B17R2.4286 COCc1ccccc1c2cccnc2F 271570a_100011216666_100009816115 [0,1,0,0,0,1|2,0,0]=4 3845 B17R2.4286 COCc1ccccc1c2cccnc2N 271570a_100000071976_100011493684 [0,1,0,0,0,1|2,0,0]=4 3846 B17R2.4286 COCc1ccccc1c2cccnc2N 271570a_100011216666_100000045569 [0,1,0,0,0,1|2,0,0]=4 3847 B17R2.4286 COCc1ccccc1c2ccncc2Br 271570a_100011216666_100000726257 [0,1,0,0,0,1|2,0,0]=4 3848 B17R2.4286 COCc1ccccc1c2ccncc2C 271570a_100000701363_100011493684 [0,1,0,0,0,1|2,0,0]=4 3849 B17R2.4286 COCc1ccccc1c2ccncc2C 271570a_100011216666_100015191297 [0,1,0,0,0,1|2,0,0]=4 3850 B17R2.4286 COCc1ccccc1c2ccncc2Cl 271570a_100000062318_100011493684 [0,1,0,0,0,1|2,0,0]=4 3851 B17R2.4286 COCc1ccccc1c2ccncc2Cl 271570a_100011216666_100000708259 [0,1,0,0,0,1|2,0,0]=4 3852 B17R2.4286 COCc1ccccc1c2ccncc2F 271570a_100011216666_100000047030 [0,1,0,0,0,1|2,0,0]=4 3853 B17R2.4286 COCc1ccccc1c2ccncc2F 271570a_100011290801_100011493684 [0,1,0,0,0,1|2,0,0]=4 3854 B17R2.4286 COCc1ccccc1c2ccncc2N 271570a_100011216666_100009815883 [0,1,0,0,0,1|2,0,0]=4 3855 B17R2.4286 COCc1ccccc1c2ccncc2O 271570a_100011216666_100009817591 [0,1,0,0,0,1|2,0,0]=4 3856 B17R2.4286 COCc1ccccc1c2cnccc2Br 271570a_100011216666_100010138639 [0,1,0,0,0,1|2,0,0]=4 3857 B17R2.4286 COCc1ccccc1c2cnccc2C 271570a_100011216666_100000761580 [0,1,0,0,0,1|2,0,0]=4 3858 B17R2.4286 COCc1ccccc1c2cnccc2C 271570a_100011935247_100011493684 [0,1,0,0,0,1|2,0,0]=4 3859 B17R2.4286 COCc1ccccc1c2cnccc2Cl 271570a_100000062317_100011493684 [0,1,0,0,0,1|2,0,0]=4 3860 B17R2.4286 COCc1ccccc1c2cnccc2Cl 271570a_100011216666_100009995489 [0,1,0,0,0,1|2,0,0]=4 3861 B17R2.4286 COCc1ccccc1c2cnccc2F 271570a_100011216666_100009820683 [0,1,0,0,0,1|2,0,0]=4 3862 B17R2.4286 COCc1ccccc1c2cnccc2N 271570a_100011216666_100000047001 [0,1,0,0,0,1|2,0,0]=4 3863 B17R2.4286 COCc1ccccc1c2cnccc2N 271570a_200010248739_100011493684 [0,1,0,0,0,1|2,0,0]=4 3864 B17R2.4286 COCc1ccccc1c2ncc[nH]c2=O 271570a_100011216666_100000763361 [0,1,0,0,0,1|2,0,0]=4 3865 B17R2.4286 COCc1ccccc1c2ncccc2Br 271570a_100011216666_100000696092 [0,1,0,0,0,1|2,0,0]=4 3866 B17R2.4286 COCc1ccccc1c2ncccc2C 271570a_100011216666_100000751373 [0,1,0,0,0,1|2,0,0]=4 3867 B17R2.4286 COCc1ccccc1c2ncccc2Cl 271570a_100009857861_100011493684 [0,1,0,0,0,1|2,0,0]=4 3868 B17R2.4286 COCc1ccccc1c2ncccc2Cl 271570a_100011216666_100011356963 [0,1,0,0,0,1|2,0,0]=4 3869 B17R2.4286 COCc1ccccc1c2ncccc2F 271570a_100011216666_100000685392 [0,1,0,0,0,1|2,0,0]=4 3870 B17R2.4286 COCc1ccccc1c2ncccc2N 271570a_100011216666_100000688686 [0,1,0,0,0,1|2,0,0]=4 3871 B17R2.4286 COCc1ccccc1c2ncccc2O 271570a_100011216666_100000034122 [0,1,0,0,0,1|2,0,0]=4 3872 B17R2.4286 COCc1ccccc1c2nccnc2C 271570a_100011216666_100011999405 [0,1,0,0,0,1|2,0,0]=4 3873 B17R2.4286 COCc1ccccc1c2nccnc2F 271570a_100011216666_200010125657 [0,1,0,0,0,1|2,0,0]=4 3874 B17R2.4286 COCc1ccccc1c2nccnc2N 271570a_100011216666_100000747729 [0,1,0,0,0,1|2,0,0]=4 3875 B17R2.4286 COCc1ccccc1c2ncncc2C 271570a_100011216666_100011998708 [0,1,0,0,0,1|2,0,0]=4 3876 B17R2.4286 COCc1ccccc1c2ncncc2F 271570a_100011216666_100000069762 [0,1,0,0,0,1|2,0,0]=4 3877 B17R2.4286 COCc1ccccc1c2ncncc2N 271570a_100011216666_100000709731 [0,1,0,0,0,1|2,0,0]=4 3878 B17R2.4286 COCc1ccccc1c2nnccc2C 271570a_100011216666_100000089043 [0,1,0,0,0,1|2,0,0]=4 3879 B17R2.4286 CSCc1ccccc1c2ccc[nH]c2=O 271570a_100000099769_100000148299 [0,1,0,0,0,1|2,0,0]=4 3880 B17R2.4286 CSCc1ccccc1c2ccccc2C 271570a_100000747142_100000148299 [0,1,0,0,0,1|2,0,0]=4 3881 B17R2.4286 CSCc1ccccc1c2ccccc2Cl 271570a_100011934419_100000148299 [0,1,0,0,0,1|2,0,0]=4 3882 B17R2.4286 CSCc1ccccc1c2ccccc2F 271570a_100000761933_100000148299 [0,1,0,0,0,1|2,0,0]=4 3883 B17R2.4286 CSCc1ccccc1c2ccccc2I 271570a_100000069755_100000148299 [0,1,0,0,0,1|2,0,0]=4 3884 B17R2.4286 CSCc1ccccc1c2ccccc2N 271570a_100000034411_100000148299 [0,1,0,0,0,1|2,0,0]=4 3885 B17R2.4286 CSCc1ccccc1c2ccccc2O 271570a_100000035170_100000148299 [0,1,0,0,0,1|2,0,0]=4 3886 B17R2.4286 CSCc1ccccc1c2cccnc2C 271570a_100011934933_100000148299 [0,1,0,0,0,1|2,0,0]=4 3887 B17R2.4286 CSCc1ccccc1c2cccnc2Cl 271570a_100000047009_100000148299 [0,1,0,0,0,1|2,0,0]=4 3888 B17R2.4286 CSCc1ccccc1c2cccnc2F 271570a_100000042387_100000148299 [0,1,0,0,0,1|2,0,0]=4 3889 B17R2.4286 CSCc1ccccc1c2cccnc2N 271570a_100000071976_100000148299 [0,1,0,0,0,1|2,0,0]=4 3890 B17R2.4286 CSCc1ccccc1c2ccncc2C 271570a_100000701363_100000148299 [0,1,0,0,0,1|2,0,0]=4 3891 B17R2.4286 CSCc1ccccc1c2ccncc2Cl 271570a_100000062318_100000148299 [0,1,0,0,0,1|2,0,0]=4 3892 B17R2.4286 CSCc1ccccc1c2ccncc2F 271570a_100011290801_100000148299 [0,1,0,0,0,1|2,0,0]=4 3893 B17R2.4286 CSCc1ccccc1c2cnccc2C 271570a_100011935247_100000148299 [0,1,0,0,0,1|2,0,0]=4 3894 B17R2.4286 CSCc1ccccc1c2cnccc2Cl 271570a_100000062317_100000148299 [0,1,0,0,0,1|2,0,0]=4 3895 B17R2.4286 CSCc1ccccc1c2cnccc2N 271570a_200010248739_100000148299 [0,1,0,0,0,1|2,0,0]=4 3896 B17R2.4286 CSCc1ccccc1c2ncccc2Cl 271570a_100009857861_100000148299 [0,1,0,0,0,1|2,0,0]=4 3897 B17R2.4286 Cc1ccccc1c2ccccc2CNN 271570a_100000747142_200016993956 [0,1,0,0,0,1|2,0,0]=4 3898 B17R2.4286 Cc1ccccc1c2ccccc2CO[13CH3] 34a_200000032383_200025704644 [0,1,0,0,0,1|2,0,0]=4 3899 B17R2.4286 Cc1ccccc1c2ccccc2CO[13CH3] 7a_200000032383_200025704644 [0,1,0,0,0,1|2,0,0]=4 3900 B17R2.4286 Cc1ccncc1c2ccccc2CNN 271570a_100011935247_200016993956 [0,1,0,0,0,1|2,0,0]=4 3901 B17R2.4286 Cc1cnccc1c2ccccc2CNN 271570a_100000701363_200016993956 [0,1,0,0,0,1|2,0,0]=4 3902 B17R2.4286 Cc1ncccc1c2ccccc2CNN 271570a_100011934933_200016993956 [0,1,0,0,0,1|2,0,0]=4 3903 B17R2.4286 NNCc1ccccc1c2ccc[nH]c2=O 271570a_100000099769_200016993956 [0,1,0,0,0,1|2,0,0]=4 3904 B17R2.4286 NNCc1ccccc1c2ccccc2Cl 271570a_100011934419_200016993956 [0,1,0,0,0,1|2,0,0]=4 3905 B17R2.4286 NNCc1ccccc1c2ccccc2F 271570a_100000761933_200016993956 [0,1,0,0,0,1|2,0,0]=4 3906 B17R2.4286 NNCc1ccccc1c2ccccc2I 271570a_100000069755_200016993956 [0,1,0,0,0,1|2,0,0]=4 3907 B17R2.4286 NNCc1ccccc1c2ccccc2N 271570a_100000034411_200016993956 [0,1,0,0,0,1|2,0,0]=4 3908 B17R2.4286 NNCc1ccccc1c2ccccc2O 271570a_100000035170_200016993956 [0,1,0,0,0,1|2,0,0]=4 3909 B17R2.4286 NNCc1ccccc1c2cccnc2Cl 271570a_100000047009_200016993956 [0,1,0,0,0,1|2,0,0]=4 3910 B17R2.4286 NNCc1ccccc1c2cccnc2F 271570a_100000042387_200016993956 [0,1,0,0,0,1|2,0,0]=4 3911 B17R2.4286 NNCc1ccccc1c2cccnc2N 271570a_100000071976_200016993956 [0,1,0,0,0,1|2,0,0]=4 3912 B17R2.4286 NNCc1ccccc1c2ccncc2Cl 271570a_100000062318_200016993956 [0,1,0,0,0,1|2,0,0]=4 3913 B17R2.4286 NNCc1ccccc1c2ccncc2F 271570a_100011290801_200016993956 [0,1,0,0,0,1|2,0,0]=4 3914 B17R2.4286 NNCc1ccccc1c2cnccc2Cl 271570a_100000062317_200016993956 [0,1,0,0,0,1|2,0,0]=4 3915 B17R2.4286 NNCc1ccccc1c2cnccc2N 271570a_200010248739_200016993956 [0,1,0,0,0,1|2,0,0]=4 3916 B17R2.4286 NNCc1ccccc1c2ncccc2Cl 271570a_100009857861_200016993956 [0,1,0,0,0,1|2,0,0]=4 3917 B17R2.5881 CNCc1ccc(cc1c2ccccc2)F 271570a_100011218836_200011192132 [0,1,0,0,0,1|1,0,0]=3 3918 B17R2.5881 CNCc1ccc(cc1c2ccccc2)F 34a_200012354239_200000210301 [0,1,0,0,0,1|1,0,0]=3 3919 B17R2.5881 CNCc1ccc(cc1c2ccccn2)F 271570a_100011264011_200011192132 [0,1,0,0,0,1|1,0,0]=3 3920 B17R2.5881 CNCc1ccc(cc1c2cccnc2)F 271570a_100000757648_200011192132 [0,1,0,0,0,1|1,0,0]=3 3921 B17R2.5881 CNCc1ccc(cc1c2ccncc2)F 271570a_100000752145_200011192132 [0,1,0,0,0,1|1,0,0]=3 3922 B17R2.5881 CNCc1ccc(cc1c2cnccn2)F 271570a_100011962566_200011192132 [0,1,0,0,0,1|1,0,0]=3 3923 B17R2.5881 CNCc1ccc(cc1c2cncnc2)F 271570a_100000707473_200011192132 [0,1,0,0,0,1|2,0,0]=4 3924 B17R2.5881 [13CH3]NCc1ccc(cc1c2ccccc2)F 34a_200012354239_200025704644 [0,1,0,0,0,1|1,0,0]=3 3925 B17R2.629 CC(C#N)c1ccccc1Sc2cccs2 62a_100011215356_200010232107 [0,1,0,0,0,1|2,0,0]=4 3926 B17R2.629 CC(C#N)c1ccccc1Sc2cccs2 62a_200010232107_100011215356 [0,1,0,0,0,1|2,0,0]=4 3927 B17R2.629 CNC(=O)c1ccccc1Sc2ccco2 62a_100000155073_100009814098 [0,1,0,0,0,1|0,1,1]=4 3928 B17R2.629 CNC(=O)c1ccccc1Sc2ccco2 62a_100009814098_100000155073 [0,1,0,0,0,1|0,1,1]=4 3929 B17R2.629 CNC(=O)c1ccccc1Sc2cccs2 62a_100000155073_100011215356 [0,1,0,0,0,1|0,0,1]=3 3930 B17R2.629 CNC(=O)c1ccccc1Sc2cccs2 62a_100011215356_100000155073 [0,1,0,0,0,1|0,0,1]=3 3931 B17R2.629 CNC(=O)c1ccccc1Sc2cncs2 62a_100000155073_100011934649 [0,1,0,0,0,1|1,0,1]=4 3932 B17R2.629 CNC(=O)c1ccccc1Sc2cncs2 62a_100011934649_100000155073 [0,1,0,0,0,1|1,0,1]=4 3933 B17R2.629 CNC(=O)c1ccccc1Sc2nccs2 62a_100000155073_100000211983 [0,1,0,0,0,1|1,0,1]=4 3934 B17R2.629 CNC(=O)c1ccccc1Sc2nccs2 62a_100000211983_100000155073 [0,1,0,0,0,1|1,0,1]=4 3935 B17R2.629 CNC(=O)c1cccnc1Sc2cccs2 62a_100000159833_100011215356 [0,1,0,0,0,1|1,0,1]=4 3936 B17R2.629 CNC(=O)c1cccnc1Sc2cccs2 62a_100011215356_100000159833 [0,1,0,0,0,1|1,0,1]=4 3937 B17R2.629 CNC(C)c1ccccc1Sc2c[nH]cn2 62a_100000692418_100000756875 [0,1,0,0,0,1|2,0,0]=4 3938 B17R2.629 CNC(C)c1ccccc1Sc2c[nH]cn2 62a_100000756875_100000692418 [0,1,0,0,0,1|2,0,0]=4 3939 B17R2.629 CNC(C)c1ccccc1Sc2cc[nH]n2 62a_100000062575_100000692418 [0,1,0,0,0,1|2,0,0]=4 3940 B17R2.629 CNC(C)c1ccccc1Sc2cc[nH]n2 62a_100000692418_100000062575 [0,1,0,0,0,1|2,0,0]=4 3941 B17R2.629 CNC(C)c1ccccc1Sc2ccco2 62a_100000692418_100009814098 [0,1,0,0,0,1|0,1,0]=3 3942 B17R2.629 CNC(C)c1ccccc1Sc2ccco2 62a_100009814098_100000692418 [0,1,0,0,0,1|0,1,0]=3 3943 B17R2.629 CNC(C)c1ccccc1Sc2cccs2 62a_100000692418_100011215356 [0,1,0,0,0,1|0,0,0]=2 3944 B17R2.629 CNC(C)c1ccccc1Sc2cccs2 62a_100011215356_100000692418 [0,1,0,0,0,1|0,0,0]=2 3945 B17R2.629 CNC(C)c1ccccc1Sc2ccoc2 62a_100000692418_100011215275 [0,1,0,0,0,1|2,0,0]=4 3946 B17R2.629 CNC(C)c1ccccc1Sc2ccoc2 62a_100011215275_100000692418 [0,1,0,0,0,1|2,0,0]=4 3947 B17R2.629 CNC(C)c1ccccc1Sc2ccon2 62a_100000692418_100009818083 [0,1,0,0,0,1|2,0,0]=4 3948 B17R2.629 CNC(C)c1ccccc1Sc2ccon2 62a_100009818083_100000692418 [0,1,0,0,0,1|2,0,0]=4 3949 B17R2.629 CNC(C)c1ccccc1Sc2ccsc2 62a_100000692418_100000738268 [0,1,0,0,0,1|2,0,0]=4 3950 B17R2.629 CNC(C)c1ccccc1Sc2ccsc2 62a_100000738268_100000692418 [0,1,0,0,0,1|2,0,0]=4 3951 B17R2.629 CNC(C)c1ccccc1Sc2ccsn2 62a_100000692418_100009818082 [0,1,0,0,0,1|2,0,0]=4 3952 B17R2.629 CNC(C)c1ccccc1Sc2ccsn2 62a_100009818082_100000692418 [0,1,0,0,0,1|2,0,0]=4 3953 B17R2.629 CNC(C)c1ccccc1Sc2cnco2 62a_100000692418_100020591547 [0,1,0,0,0,1|1,1,0]=4 3954 B17R2.629 CNC(C)c1ccccc1Sc2cnco2 62a_100020591547_100000692418 [0,1,0,0,0,1|1,1,0]=4 3955 B17R2.629 CNC(C)c1ccccc1Sc2cncs2 62a_100000692418_100011934649 [0,1,0,0,0,1|1,0,0]=3 3956 B17R2.629 CNC(C)c1ccccc1Sc2cncs2 62a_100011934649_100000692418 [0,1,0,0,0,1|1,0,0]=3 3957 B17R2.629 CNC(C)c1ccccc1Sc2cscn2 62a_100000692418_100000751502 [0,1,0,0,0,1|2,0,0]=4 3958 B17R2.629 CNC(C)c1ccccc1Sc2cscn2 62a_100000751502_100000692418 [0,1,0,0,0,1|2,0,0]=4 3959 B17R2.629 CNC(C)c1ccccc1Sc2ncc[nH]2 62a_100000692418_100025796157 [0,1,0,0,0,1|2,0,0]=4 3960 B17R2.629 CNC(C)c1ccccc1Sc2ncc[nH]2 62a_100025796157_100000692418 [0,1,0,0,0,1|2,0,0]=4 3961 B17R2.629 CNC(C)c1ccccc1Sc2ncco2 62a_100000692418_100011787736 [0,1,0,0,0,1|1,1,0]=4 3962 B17R2.629 CNC(C)c1ccccc1Sc2ncco2 62a_100011787736_100000692418 [0,1,0,0,0,1|1,1,0]=4 3963 B17R2.629 CNC(C)c1ccccc1Sc2nccs2 62a_100000211983_100000692418 [0,1,0,0,0,1|1,0,0]=3 3964 B17R2.629 CNC(C)c1ccccc1Sc2nccs2 62a_100000692418_100000211983 [0,1,0,0,0,1|1,0,0]=3 3965 B17R2.629 CNC(C)c1ccccc1Sc2ncns2 62a_100000692418_100000693119 [0,1,0,0,0,1|2,0,0]=4 3966 B17R2.629 CNC(C)c1ccccc1Sc2ncns2 62a_100000693119_100000692418 [0,1,0,0,0,1|2,0,0]=4 3967 B17R2.629 CNC(C)c1ccccc1Sc2nncs2 62a_100000692418_100000739804 [0,1,0,0,0,1|2,0,0]=4 3968 B17R2.629 CNC(C)c1ccccc1Sc2nncs2 62a_100000739804_100000692418 [0,1,0,0,0,1|2,0,0]=4 3969 B17R2.629 COC(=O)c1ccccc1Sc2cccs2 62a_100000148710_100011215356 [0,1,0,0,0,1|1,0,1]=4 3970 B17R2.629 COC(=O)c1ccccc1Sc2cccs2 62a_100011215356_100000148710 [0,1,0,0,0,1|1,0,1]=4 3971 B17R2.629 CO[C@@H](C)c1ncccc1Sc2cccs2 62a_100011215356_106256553109 [0,1,0,0,0,1|2,0,0]=4 3972 B17R2.629 CO[C@@H](C)c1ncccc1Sc2cccs2 62a_106256553109_100011215356 [0,1,0,0,0,1|2,0,0]=4 3973 B17R2.629 NCC(O)c1ccccc1Sc2cccs2 62a_100011215356_100011236429 [0,1,0,0,0,1|2,0,0]=4 3974 B17R2.629 NCC(O)c1ccccc1Sc2cccs2 62a_100011236429_100011215356 [0,1,0,0,0,1|2,0,0]=4 3975 B17R2.629 NNC(=O)c1ccccc1Sc2cccs2 62a_100000190081_100011215356 [0,1,0,0,0,1|1,0,1]=4 3976 B17R2.629 NNC(=O)c1ccccc1Sc2cccs2 62a_100011215356_100000190081 [0,1,0,0,0,1|1,0,1]=4 3977 B17R2.629 N[C@H](CO)c1ccccc1Sc2cccs2 62a_100011215356_100161155918 [0,1,0,0,0,1|2,0,0]=4 3978 B17R2.629 N[C@H](CO)c1ccccc1Sc2cccs2 62a_100161155918_100011215356 [0,1,0,0,0,1|2,0,0]=4 3979 B17R2.855 CC(=O)Cc1ccccc1Sc2ccco2 62a_100009814098_100011350739 [0,1,0,0,0,1|1,1,0]=4 3980 B17R2.855 CC(=O)Cc1ccccc1Sc2ccco2 62a_100011350739_100009814098 [0,1,0,0,0,1|1,1,0]=4 3981 B17R2.855 CC(=O)Cc1ccccc1Sc2cccs2 62a_100011215356_100011350739 [0,1,0,0,0,1|1,0,0]=3 3982 B17R2.855 CC(=O)Cc1ccccc1Sc2cccs2 62a_100011350739_100011215356 [0,1,0,0,0,1|1,0,0]=3 3983 B17R2.855 CC(=O)Cc1ccccc1Sc2cncs2 62a_100011350739_100011934649 [0,1,0,0,0,1|2,0,0]=4 3984 B17R2.855 CC(=O)Cc1ccccc1Sc2cncs2 62a_100011934649_100011350739 [0,1,0,0,0,1|2,0,0]=4 3985 B17R2.855 CC(=O)Cc1ccccc1Sc2nccs2 62a_100000211983_100011350739 [0,1,0,0,0,1|2,0,0]=4 3986 B17R2.855 CC(=O)Cc1ccccc1Sc2nccs2 62a_100011350739_100000211983 [0,1,0,0,0,1|2,0,0]=4 3987 B17R2.855 CC(=O)Nc1ccccc1Sc2cccs2 62a_100011215356_100000153524 [0,1,0,0,0,1|2,0,0]=4 3988 B17R2.855 CC(=O)Oc1ccccc1Sc2cccs2 62a_100000051690_100011215356 [0,1,0,0,0,1|2,0,0]=4 3989 B17R2.855 CC(=O)Oc1ccccc1Sc2cccs2 62a_100011215356_100000051690 [0,1,0,0,0,1|2,0,0]=4 3990 B17R2.855 CC(C)Nc1ccccc1Sc2cccs2 62a_100000219599_100011215356 [0,1,0,0,0,1|2,0,0]=4 3991 B17R2.855 CC(C)Nc1ccccc1Sc2cccs2 62a_100011215356_100000219599 [0,1,0,0,0,1|2,0,0]=4 3992 B17R2.855 CC(C)Oc1ccccc1Sc2cccs2 62a_100000173919_100011215356 [0,1,0,0,0,1|2,0,0]=4 3993 B17R2.855 CC(C)Oc1ccccc1Sc2cccs2 62a_100011215356_100000173919 [0,1,0,0,0,1|2,0,0]=4 3994 B17R2.855 CN(C)Cc1ccccc1Cn2cccn2 270004a_100102631434_200000059821 [0,1,0,0,0,1|2,0,0]=4 3995 B17R2.855 CN(C)Cc1ccccc1Sc2c[nH]cn2 62a_100000174758_100000756875 [0,1,0,0,0,1|2,0,0]=4 3996 B17R2.855 CN(C)Cc1ccccc1Sc2c[nH]cn2 62a_100000756875_100000174758 [0,1,0,0,0,1|2,0,0]=4 3997 B17R2.855 CN(C)Cc1ccccc1Sc2cc[nH]n2 62a_100000062575_100000174758 [0,1,0,0,0,1|2,0,0]=4 3998 B17R2.855 CN(C)Cc1ccccc1Sc2cc[nH]n2 62a_100000174758_100000062575 [0,1,0,0,0,1|2,0,0]=4 3999 B17R2.855 CN(C)Cc1ccccc1Sc2ccco2 62a_100000174758_100009814098 [0,1,0,0,0,1|0,1,0]=3 4000 B17R2.855 CN(C)Cc1ccccc1Sc2ccco2 62a_100009814098_100000174758 [0,1,0,0,0,1|0,1,0]=3 4001 B17R2.855 CN(C)Cc1ccccc1Sc2cccs2 62a_100000174758_100011215356 [0,1,0,0,0,1|0,0,0]=2 4002 B17R2.855 CN(C)Cc1ccccc1Sc2cccs2 62a_100011215356_100000174758 [0,1,0,0,0,1|0,0,0]=2 4003 B17R2.855 CN(C)Cc1ccccc1Sc2ccoc2 62a_100000174758_100011215275 [0,1,0,0,0,1|2,0,0]=4 4004 B17R2.855 CN(C)Cc1ccccc1Sc2ccoc2 62a_100011215275_100000174758 [0,1,0,0,0,1|2,0,0]=4 4005 B17R2.855 CN(C)Cc1ccccc1Sc2ccon2 62a_100000174758_100009818083 [0,1,0,0,0,1|2,0,0]=4 4006 B17R2.855 CN(C)Cc1ccccc1Sc2ccon2 62a_100009818083_100000174758 [0,1,0,0,0,1|2,0,0]=4 4007 B17R2.855 CN(C)Cc1ccccc1Sc2ccsc2 62a_100000174758_100000738268 [0,1,0,0,0,1|2,0,0]=4 4008 B17R2.855 CN(C)Cc1ccccc1Sc2ccsc2 62a_100000738268_100000174758 [0,1,0,0,0,1|2,0,0]=4 4009 B17R2.855 CN(C)Cc1ccccc1Sc2ccsn2 62a_100000174758_100009818082 [0,1,0,0,0,1|2,0,0]=4 4010 B17R2.855 CN(C)Cc1ccccc1Sc2ccsn2 62a_100009818082_100000174758 [0,1,0,0,0,1|2,0,0]=4 4011 B17R2.855 CN(C)Cc1ccccc1Sc2cnco2 62a_100000174758_100020591547 [0,1,0,0,0,1|1,1,0]=4 4012 B17R2.855 CN(C)Cc1ccccc1Sc2cnco2 62a_100020591547_100000174758 [0,1,0,0,0,1|1,1,0]=4 4013 B17R2.855 CN(C)Cc1ccccc1Sc2cncs2 62a_100000174758_100011934649 [0,1,0,0,0,1|1,0,0]=3 4014 B17R2.855 CN(C)Cc1ccccc1Sc2cncs2 62a_100011934649_100000174758 [0,1,0,0,0,1|1,0,0]=3 4015 B17R2.855 CN(C)Cc1ccccc1Sc2cscn2 62a_100000174758_100000751502 [0,1,0,0,0,1|2,0,0]=4 4016 B17R2.855 CN(C)Cc1ccccc1Sc2cscn2 62a_100000751502_100000174758 [0,1,0,0,0,1|2,0,0]=4 4017 B17R2.855 CN(C)Cc1ccccc1Sc2ncc[nH]2 62a_100000174758_100025796157 [0,1,0,0,0,1|2,0,0]=4 4018 B17R2.855 CN(C)Cc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000174758 [0,1,0,0,0,1|2,0,0]=4 4019 B17R2.855 CN(C)Cc1ccccc1Sc2ncco2 62a_100000174758_100011787736 [0,1,0,0,0,1|1,1,0]=4 4020 B17R2.855 CN(C)Cc1ccccc1Sc2ncco2 62a_100011787736_100000174758 [0,1,0,0,0,1|1,1,0]=4 4021 B17R2.855 CN(C)Cc1ccccc1Sc2nccs2 62a_100000174758_100000211983 [0,1,0,0,0,1|1,0,0]=3 4022 B17R2.855 CN(C)Cc1ccccc1Sc2nccs2 62a_100000211983_100000174758 [0,1,0,0,0,1|1,0,0]=3 4023 B17R2.855 CN(C)Cc1ccccc1Sc2ncns2 62a_100000174758_100000693119 [0,1,0,0,0,1|2,0,0]=4 4024 B17R2.855 CN(C)Cc1ccccc1Sc2ncns2 62a_100000693119_100000174758 [0,1,0,0,0,1|2,0,0]=4 4025 B17R2.855 CN(C)Cc1ccccc1Sc2nncs2 62a_100000174758_100000739804 [0,1,0,0,0,1|2,0,0]=4 4026 B17R2.855 CN(C)Cc1ccccc1Sc2nncs2 62a_100000739804_100000174758 [0,1,0,0,0,1|2,0,0]=4 4027 B17R2.855 NC(=O)Cc1ccccc1Sc2cccs2 62a_100011215356_200009814924 [0,1,0,0,0,1|2,0,0]=4 4028 B17R2.855 NC(=O)Cc1ccccc1Sc2cccs2 62a_200009814924_100011215356 [0,1,0,0,0,1|2,0,0]=4 4029 B17R2.2458 C=CCc1ccccc1Sc2cc(cs2)C 62a_100009828059_100009876951 [0,1,0,0,0,1|1,0,1]=4 4030 B17R2.2458 C=CCc1ccccc1Sc2cc(cs2)C 62a_100009876951_100009828059 [0,1,0,0,0,1|1,0,1]=4 4031 B17R2.2458 C=CCc1ccccc1Sc2ccc(s2)C 62a_100000031368_100009828059 [0,1,0,0,0,1|1,0,1]=4 4032 B17R2.2458 C=CCc1ccccc1Sc2ccc(s2)C 62a_100009828059_100000031368 [0,1,0,0,0,1|1,0,1]=4 4033 B17R2.2458 CCNc1ccccc1Sc2cc(cs2)C 62a_100009876951_114873767003 [0,1,0,0,0,1|2,0,0]=4 4034 B17R2.2458 CCNc1ccccc1Sc2cc(cs2)C 62a_114873767003_100009876951 [0,1,0,0,0,1|2,0,0]=4 4035 B17R2.2458 CCNc1ccccc1Sc2ccc(s2)C 62a_100000031368_114873767003 [0,1,0,0,0,1|2,0,0]=4 4036 B17R2.2458 CCNc1ccccc1Sc2ccc(s2)C 62a_114873767003_100000031368 [0,1,0,0,0,1|2,0,0]=4 4037 B17R2.2458 CCOc1ccccc1Sc2cc(cs2)C 62a_100000230754_100009876951 [0,1,0,0,0,1|2,0,0]=4 4038 B17R2.2458 CCOc1ccccc1Sc2cc(cs2)C 62a_100009876951_100000230754 [0,1,0,0,0,1|2,0,0]=4 4039 B17R2.2458 CCOc1ccccc1Sc2ccc(s2)C 62a_100000031368_100000230754 [0,1,0,0,0,1|2,0,0]=4 4040 B17R2.2458 CCOc1ccccc1Sc2ccc(s2)C 62a_100000230754_100000031368 [0,1,0,0,0,1|2,0,0]=4 4041 B17R2.2458 CNCc1ccccc1Sc2c[nH]c(n2)C 62a_100000184654_100009814057 [0,1,0,0,0,1|2,0,0]=4 4042 B17R2.2458 CNCc1ccccc1Sc2c[nH]c(n2)C 62a_100009814057_100000184654 [0,1,0,0,0,1|2,0,0]=4 4043 B17R2.2458 CNCc1ccccc1Sc2cc([nH]n2)C 62a_100000184654_100009819999 [0,1,0,0,0,1|2,0,0]=4 4044 B17R2.2458 CNCc1ccccc1Sc2cc([nH]n2)C 62a_100009819999_100000184654 [0,1,0,0,0,1|2,0,0]=4 4045 B17R2.2458 CNCc1ccccc1Sc2cc([nH]n2)N 62a_100000184654_100009822546 [0,1,0,0,0,1|2,0,0]=4 4046 B17R2.2458 CNCc1ccccc1Sc2cc([nH]n2)N 62a_100009822546_100000184654 [0,1,0,0,0,1|2,0,0]=4 4047 B17R2.2458 CNCc1ccccc1Sc2cc(cs2)C 62a_100000184654_100009876951 [0,1,0,0,0,1|0,0,0]=2 4048 B17R2.2458 CNCc1ccccc1Sc2cc(cs2)C 62a_100009876951_100000184654 [0,1,0,0,0,1|0,0,0]=2 4049 B17R2.2458 CNCc1ccccc1Sc2cc(n[nH]2)Br 62a_100000184654_100160470719 [0,1,0,0,0,1|2,0,0]=4 4050 B17R2.2458 CNCc1ccccc1Sc2cc(n[nH]2)Br 62a_100160470719_100000184654 [0,1,0,0,0,1|2,0,0]=4 4051 B17R2.2458 CNCc1ccccc1Sc2cc(ns2)C 62a_100000184654_100009815735 [0,1,0,0,0,1|1,0,0]=3 4052 B17R2.2458 CNCc1ccccc1Sc2cc(ns2)C 62a_100009815735_100000184654 [0,1,0,0,0,1|1,0,0]=3 4053 B17R2.2458 CNCc1ccccc1Sc2cc(on2)C 62a_100000184654_100000716708 [0,1,0,0,0,1|2,0,0]=4 4054 B17R2.2458 CNCc1ccccc1Sc2cc(on2)C 62a_100000716708_100000184654 [0,1,0,0,0,1|2,0,0]=4 4055 B17R2.2458 CNCc1ccccc1Sc2ccc(s2)Br 62a_100000184654_100010197418 [0,1,0,0,0,1|0,0,0]=2 4056 B17R2.2458 CNCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000184654 [0,1,0,0,0,1|0,0,0]=2 4057 B17R2.2458 CNCc1ccccc1Sc2ccc(s2)C 62a_100000031368_100000184654 [0,1,0,0,0,1|0,0,0]=2 4058 B17R2.2458 CNCc1ccccc1Sc2ccc(s2)C 62a_100000184654_100000031368 [0,1,0,0,0,1|0,0,0]=2 4059 B17R2.2458 CNCc1ccccc1Sc2ccn(n2)C 62a_100000184654_100000752436 [0,1,0,0,0,1|2,0,0]=4 4060 B17R2.2458 CNCc1ccccc1Sc2ccn(n2)C 62a_100000752436_100000184654 [0,1,0,0,0,1|2,0,0]=4 4061 B17R2.2458 CNCc1ccccc1Sc2cn(cn2)C 62a_100000040308_100000184654 [0,1,0,0,0,1|2,0,0]=4 4062 B17R2.2458 CNCc1ccccc1Sc2cn(cn2)C 62a_100000184654_100000040308 [0,1,0,0,0,1|2,0,0]=4 4063 B17R2.2458 CNCc1ccccc1Sc2cnc(s2)Br 62a_100000184654_100012357534 [0,1,0,0,0,1|1,0,0]=3 4064 B17R2.2458 CNCc1ccccc1Sc2cnc(s2)Br 62a_100012357534_100000184654 [0,1,0,0,0,1|1,0,0]=3 4065 B17R2.2458 CNCc1ccccc1Sc2cnc(s2)C 62a_100000184654_100000764884 [0,1,0,0,0,1|1,0,0]=3 4066 B17R2.2458 CNCc1ccccc1Sc2cnc(s2)C 62a_100000764884_100000184654 [0,1,0,0,0,1|1,0,0]=3 4067 B17R2.2458 CNCc1ccccc1Sc2cnc(s2)N 62a_100000184654_100000718969 [0,1,0,0,0,1|1,0,0]=3 4068 B17R2.2458 CNCc1ccccc1Sc2cnc(s2)N 62a_100000718969_100000184654 [0,1,0,0,0,1|1,0,0]=3 4069 B17R2.2458 CNCc1ccccc1Sc2csc(c2)C 62a_100000184654_100000759034 [0,1,0,0,0,1|2,0,0]=4 4070 B17R2.2458 CNCc1ccccc1Sc2csc(c2)C 62a_100000759034_100000184654 [0,1,0,0,0,1|2,0,0]=4 4071 B17R2.2458 CNCc1ccccc1Sc2csc(n2)C 62a_100000184654_100011934587 [0,1,0,0,0,1|2,0,0]=4 4072 B17R2.2458 CNCc1ccccc1Sc2csc(n2)C 62a_100011934587_100000184654 [0,1,0,0,0,1|2,0,0]=4 4073 B17R2.2458 CNCc1ccccc1Sc2csc(n2)N 62a_100000184654_100011998049 [0,1,0,0,0,1|2,0,0]=4 4074 B17R2.2458 CNCc1ccccc1Sc2csc(n2)N 62a_100011998049_100000184654 [0,1,0,0,0,1|2,0,0]=4 4075 B17R2.2458 CNCc1ccccc1Sc2nc(c[nH]2)C 62a_100000184654_100161115468 [0,1,0,0,0,1|2,0,0]=4 4076 B17R2.2458 CNCc1ccccc1Sc2nc(c[nH]2)C 62a_100161115468_100000184654 [0,1,0,0,0,1|2,0,0]=4 4077 B17R2.2458 CNCc1ccccc1Sc2nc(cs2)Br 62a_100000184654_200016082925 [0,1,0,0,0,1|1,0,0]=3 4078 B17R2.2458 CNCc1ccccc1Sc2nc(cs2)Br 62a_200016082925_100000184654 [0,1,0,0,0,1|1,0,0]=3 4079 B17R2.2458 CNCc1ccccc1Sc2nc(cs2)C 62a_100000184654_100011291629 [0,1,0,0,0,1|1,0,0]=3 4080 B17R2.2458 CNCc1ccccc1Sc2nc(cs2)C 62a_100011291629_100000184654 [0,1,0,0,0,1|1,0,0]=3 4081 B17R2.2458 CNCc1ccccc1Sc2nc(cs2)N 62a_100000184654_200015188442 [0,1,0,0,0,1|1,0,0]=3 4082 B17R2.2458 CNCc1ccccc1Sc2nc(cs2)N 62a_200015188442_100000184654 [0,1,0,0,0,1|1,0,0]=3 4083 B17R2.2458 CNCc1ccccc1Sc2nc(ns2)C 62a_100000184654_100000709739 [0,1,0,0,0,1|2,0,0]=4 4084 B17R2.2458 CNCc1ccccc1Sc2nc(ns2)C 62a_100000709739_100000184654 [0,1,0,0,0,1|2,0,0]=4 4085 B17R2.2458 CNCc1ccccc1Sc2ncc(s2)C 62a_100000184654_100000690809 [0,1,0,0,0,1|1,0,0]=3 4086 B17R2.2458 CNCc1ccccc1Sc2ncc(s2)C 62a_100000690809_100000184654 [0,1,0,0,0,1|1,0,0]=3 4087 B17R2.2458 CNCc1ccccc1Sc2nnc(s2)C 62a_100000184654_100000686958 [0,1,0,0,0,1|2,0,0]=4 4088 B17R2.2458 CNCc1ccccc1Sc2nnc(s2)C 62a_100000686958_100000184654 [0,1,0,0,0,1|2,0,0]=4 4089 B17R2.2458 CNCc1ccccc1Sc2nnc(s2)N 62a_100000184654_100000738278 [0,1,0,0,0,1|2,0,0]=4 4090 B17R2.2458 CNCc1ccccc1Sc2nnc(s2)N 62a_100000738278_100000184654 [0,1,0,0,0,1|2,0,0]=4 4091 B17R2.2458 CNCc1cccnc1Sc2cc(cs2)C 62a_100009876951_103496529121 [0,1,0,0,0,1|1,0,0]=3 4092 B17R2.2458 CNCc1cccnc1Sc2cc(cs2)C 62a_103496529121_100009876951 [0,1,0,0,0,1|1,0,0]=3 4093 B17R2.2458 CNCc1cccnc1Sc2cc(ns2)C 62a_100009815735_103496529121 [0,1,0,0,0,1|2,0,0]=4 4094 B17R2.2458 CNCc1cccnc1Sc2cc(ns2)C 62a_103496529121_100009815735 [0,1,0,0,0,1|2,0,0]=4 4095 B17R2.2458 CNCc1cccnc1Sc2ccc(s2)Br 62a_100010197418_103496529121 [0,1,0,0,0,1|1,0,0]=3 4096 B17R2.2458 CNCc1cccnc1Sc2ccc(s2)Br 62a_103496529121_100010197418 [0,1,0,0,0,1|1,0,0]=3 4097 B17R2.2458 CNCc1cccnc1Sc2ccc(s2)C 62a_100000031368_103496529121 [0,1,0,0,0,1|1,0,0]=3 4098 B17R2.2458 CNCc1cccnc1Sc2ccc(s2)C 62a_103496529121_100000031368 [0,1,0,0,0,1|1,0,0]=3 4099 B17R2.2458 CNCc1cccnc1Sc2cnc(s2)Br 62a_100012357534_103496529121 [0,1,0,0,0,1|2,0,0]=4 4100 B17R2.2458 CNCc1cccnc1Sc2cnc(s2)Br 62a_103496529121_100012357534 [0,1,0,0,0,1|2,0,0]=4 4101 B17R2.2458 CNCc1cccnc1Sc2cnc(s2)C 62a_100000764884_103496529121 [0,1,0,0,0,1|2,0,0]=4 4102 B17R2.2458 CNCc1cccnc1Sc2cnc(s2)C 62a_103496529121_100000764884 [0,1,0,0,0,1|2,0,0]=4 4103 B17R2.2458 CNCc1cccnc1Sc2cnc(s2)N 62a_100000718969_103496529121 [0,1,0,0,0,1|2,0,0]=4 4104 B17R2.2458 CNCc1cccnc1Sc2cnc(s2)N 62a_103496529121_100000718969 [0,1,0,0,0,1|2,0,0]=4 4105 B17R2.2458 CNCc1cccnc1Sc2nc(cs2)Br 62a_103496529121_200016082925 [0,1,0,0,0,1|2,0,0]=4 4106 B17R2.2458 CNCc1cccnc1Sc2nc(cs2)Br 62a_200016082925_103496529121 [0,1,0,0,0,1|2,0,0]=4 4107 B17R2.2458 CNCc1cccnc1Sc2nc(cs2)C 62a_100011291629_103496529121 [0,1,0,0,0,1|2,0,0]=4 4108 B17R2.2458 CNCc1cccnc1Sc2nc(cs2)C 62a_103496529121_100011291629 [0,1,0,0,0,1|2,0,0]=4 4109 B17R2.2458 CNCc1cccnc1Sc2nc(cs2)N 62a_103496529121_200015188442 [0,1,0,0,0,1|2,0,0]=4 4110 B17R2.2458 CNCc1cccnc1Sc2nc(cs2)N 62a_200015188442_103496529121 [0,1,0,0,0,1|2,0,0]=4 4111 B17R2.2458 CNCc1cccnc1Sc2ncc(s2)C 62a_100000690809_103496529121 [0,1,0,0,0,1|2,0,0]=4 4112 B17R2.2458 CNCc1cccnc1Sc2ncc(s2)C 62a_103496529121_100000690809 [0,1,0,0,0,1|2,0,0]=4 4113 B17R2.2458 COCc1ccccc1Sc2cc(cs2)C 62a_100009876951_100011493684 [0,1,0,0,0,1|1,0,0]=3 4114 B17R2.2458 COCc1ccccc1Sc2cc(cs2)C 62a_100011493684_100009876951 [0,1,0,0,0,1|1,0,0]=3 4115 B17R2.2458 COCc1ccccc1Sc2cc(ns2)C 62a_100009815735_100011493684 [0,1,0,0,0,1|2,0,0]=4 4116 B17R2.2458 COCc1ccccc1Sc2cc(ns2)C 62a_100011493684_100009815735 [0,1,0,0,0,1|2,0,0]=4 4117 B17R2.2458 COCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100011493684 [0,1,0,0,0,1|1,0,0]=3 4118 B17R2.2458 COCc1ccccc1Sc2ccc(s2)Br 62a_100011493684_100010197418 [0,1,0,0,0,1|1,0,0]=3 4119 B17R2.2458 COCc1ccccc1Sc2ccc(s2)C 62a_100000031368_100011493684 [0,1,0,0,0,1|1,0,0]=3 4120 B17R2.2458 COCc1ccccc1Sc2ccc(s2)C 62a_100011493684_100000031368 [0,1,0,0,0,1|1,0,0]=3 4121 B17R2.2458 COCc1ccccc1Sc2cnc(s2)Br 62a_100011493684_100012357534 [0,1,0,0,0,1|2,0,0]=4 4122 B17R2.2458 COCc1ccccc1Sc2cnc(s2)Br 62a_100012357534_100011493684 [0,1,0,0,0,1|2,0,0]=4 4123 B17R2.2458 COCc1ccccc1Sc2cnc(s2)C 62a_100000764884_100011493684 [0,1,0,0,0,1|2,0,0]=4 4124 B17R2.2458 COCc1ccccc1Sc2cnc(s2)C 62a_100011493684_100000764884 [0,1,0,0,0,1|2,0,0]=4 4125 B17R2.2458 COCc1ccccc1Sc2cnc(s2)N 62a_100000718969_100011493684 [0,1,0,0,0,1|2,0,0]=4 4126 B17R2.2458 COCc1ccccc1Sc2cnc(s2)N 62a_100011493684_100000718969 [0,1,0,0,0,1|2,0,0]=4 4127 B17R2.2458 COCc1ccccc1Sc2nc(cs2)Br 62a_100011493684_200016082925 [0,1,0,0,0,1|2,0,0]=4 4128 B17R2.2458 COCc1ccccc1Sc2nc(cs2)Br 62a_200016082925_100011493684 [0,1,0,0,0,1|2,0,0]=4 4129 B17R2.2458 COCc1ccccc1Sc2nc(cs2)C 62a_100011291629_100011493684 [0,1,0,0,0,1|2,0,0]=4 4130 B17R2.2458 COCc1ccccc1Sc2nc(cs2)C 62a_100011493684_100011291629 [0,1,0,0,0,1|2,0,0]=4 4131 B17R2.2458 COCc1ccccc1Sc2nc(cs2)N 62a_100011493684_200015188442 [0,1,0,0,0,1|2,0,0]=4 4132 B17R2.2458 COCc1ccccc1Sc2nc(cs2)N 62a_200015188442_100011493684 [0,1,0,0,0,1|2,0,0]=4 4133 B17R2.2458 COCc1ccccc1Sc2ncc(s2)C 62a_100000690809_100011493684 [0,1,0,0,0,1|2,0,0]=4 4134 B17R2.2458 COCc1ccccc1Sc2ncc(s2)C 62a_100011493684_100000690809 [0,1,0,0,0,1|2,0,0]=4 4135 B17R2.2458 CSCc1ccccc1Sc2cc(ns2)C 62a_100000148299_100009815735 [0,1,0,0,0,1|2,0,0]=4 4136 B17R2.2458 CSCc1ccccc1Sc2cc(ns2)C 62a_100009815735_100000148299 [0,1,0,0,0,1|2,0,0]=4 4137 B17R2.2458 CSCc1ccccc1Sc2cnc(s2)Br 62a_100000148299_100012357534 [0,1,0,0,0,1|2,0,0]=4 4138 B17R2.2458 CSCc1ccccc1Sc2cnc(s2)Br 62a_100012357534_100000148299 [0,1,0,0,0,1|2,0,0]=4 4139 B17R2.2458 CSCc1ccccc1Sc2cnc(s2)C 62a_100000148299_100000764884 [0,1,0,0,0,1|2,0,0]=4 4140 B17R2.2458 CSCc1ccccc1Sc2cnc(s2)C 62a_100000764884_100000148299 [0,1,0,0,0,1|2,0,0]=4 4141 B17R2.2458 CSCc1ccccc1Sc2cnc(s2)N 62a_100000148299_100000718969 [0,1,0,0,0,1|2,0,0]=4 4142 B17R2.2458 CSCc1ccccc1Sc2cnc(s2)N 62a_100000718969_100000148299 [0,1,0,0,0,1|2,0,0]=4 4143 B17R2.2458 CSCc1ccccc1Sc2nc(cs2)Br 62a_100000148299_200016082925 [0,1,0,0,0,1|2,0,0]=4 4144 B17R2.2458 CSCc1ccccc1Sc2nc(cs2)Br 62a_200016082925_100000148299 [0,1,0,0,0,1|2,0,0]=4 4145 B17R2.2458 CSCc1ccccc1Sc2nc(cs2)C 62a_100000148299_100011291629 [0,1,0,0,0,1|2,0,0]=4 4146 B17R2.2458 CSCc1ccccc1Sc2nc(cs2)C 62a_100011291629_100000148299 [0,1,0,0,0,1|2,0,0]=4 4147 B17R2.2458 CSCc1ccccc1Sc2nc(cs2)N 62a_100000148299_200015188442 [0,1,0,0,0,1|2,0,0]=4 4148 B17R2.2458 CSCc1ccccc1Sc2nc(cs2)N 62a_200015188442_100000148299 [0,1,0,0,0,1|2,0,0]=4 4149 B17R2.2458 CSCc1ccccc1Sc2ncc(s2)C 62a_100000148299_100000690809 [0,1,0,0,0,1|2,0,0]=4 4150 B17R2.2458 CSCc1ccccc1Sc2ncc(s2)C 62a_100000690809_100000148299 [0,1,0,0,0,1|2,0,0]=4 4151 B17R2.2458 Cc1cc(sn1)Sc2ccccc2CNN 62a_100009815735_200016993956 [0,1,0,0,0,1|2,0,0]=4 4152 B17R2.2458 Cc1cc(sn1)Sc2ccccc2CNN 62a_200016993956_100009815735 [0,1,0,0,0,1|2,0,0]=4 4153 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CC#N 62a_100000031368_100000033512 [0,1,0,0,0,1|2,0,0]=4 4154 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CC#N 62a_100000033512_100000031368 [0,1,0,0,0,1|2,0,0]=4 4155 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CCN 62a_100000031368_100000747383 [0,1,0,0,0,1|2,0,0]=4 4156 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CCN 62a_100000747383_100000031368 [0,1,0,0,0,1|2,0,0]=4 4157 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CCO 62a_100000031368_100000731337 [0,1,0,0,0,1|2,0,0]=4 4158 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CCO 62a_100000731337_100000031368 [0,1,0,0,0,1|2,0,0]=4 4159 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CNN 62a_100000031368_200016993956 [0,1,0,0,0,1|1,0,0]=3 4160 B17R2.2458 Cc1ccc(s1)Sc2ccccc2CNN 62a_200016993956_100000031368 [0,1,0,0,0,1|1,0,0]=3 4161 B17R2.2458 Cc1cnc(s1)Sc2ccccc2CNN 62a_100000690809_200016993956 [0,1,0,0,0,1|2,0,0]=4 4162 B17R2.2458 Cc1cnc(s1)Sc2ccccc2CNN 62a_200016993956_100000690809 [0,1,0,0,0,1|2,0,0]=4 4163 B17R2.2458 Cc1csc(c1)Sc2ccccc2CC#N 62a_100000033512_100009876951 [0,1,0,0,0,1|2,0,0]=4 4164 B17R2.2458 Cc1csc(c1)Sc2ccccc2CC#N 62a_100009876951_100000033512 [0,1,0,0,0,1|2,0,0]=4 4165 B17R2.2458 Cc1csc(c1)Sc2ccccc2CCN 62a_100000747383_100009876951 [0,1,0,0,0,1|2,0,0]=4 4166 B17R2.2458 Cc1csc(c1)Sc2ccccc2CCN 62a_100009876951_100000747383 [0,1,0,0,0,1|2,0,0]=4 4167 B17R2.2458 Cc1csc(c1)Sc2ccccc2CCO 62a_100000731337_100009876951 [0,1,0,0,0,1|2,0,0]=4 4168 B17R2.2458 Cc1csc(c1)Sc2ccccc2CCO 62a_100009876951_100000731337 [0,1,0,0,0,1|2,0,0]=4 4169 B17R2.2458 Cc1csc(c1)Sc2ccccc2CNN 62a_100009876951_200016993956 [0,1,0,0,0,1|1,0,0]=3 4170 B17R2.2458 Cc1csc(c1)Sc2ccccc2CNN 62a_200016993956_100009876951 [0,1,0,0,0,1|1,0,0]=3 4171 B17R2.2458 Cc1csc(n1)Sc2ccccc2CNN 62a_100011291629_200016993956 [0,1,0,0,0,1|2,0,0]=4 4172 B17R2.2458 Cc1csc(n1)Sc2ccccc2CNN 62a_200016993956_100011291629 [0,1,0,0,0,1|2,0,0]=4 4173 B17R2.2458 Cc1ncc(s1)Sc2ccccc2CNN 62a_100000764884_200016993956 [0,1,0,0,0,1|2,0,0]=4 4174 B17R2.2458 Cc1ncc(s1)Sc2ccccc2CNN 62a_200016993956_100000764884 [0,1,0,0,0,1|2,0,0]=4 4175 B17R2.2458 N#CCc1ccccc1Sc2ccc(s2)Br 62a_100000033512_100010197418 [0,1,0,0,0,1|2,0,0]=4 4176 B17R2.2458 N#CCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000033512 [0,1,0,0,0,1|2,0,0]=4 4177 B17R2.2458 NCCc1ccccc1Sc2ccc(s2)Br 62a_100000747383_100010197418 [0,1,0,0,0,1|2,0,0]=4 4178 B17R2.2458 NCCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000747383 [0,1,0,0,0,1|2,0,0]=4 4179 B17R2.2458 NNCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_200016993956 [0,1,0,0,0,1|1,0,0]=3 4180 B17R2.2458 NNCc1ccccc1Sc2ccc(s2)Br 62a_200016993956_100010197418 [0,1,0,0,0,1|1,0,0]=3 4181 B17R2.2458 NNCc1ccccc1Sc2cnc(s2)Br 62a_100012357534_200016993956 [0,1,0,0,0,1|2,0,0]=4 4182 B17R2.2458 NNCc1ccccc1Sc2cnc(s2)Br 62a_200016993956_100012357534 [0,1,0,0,0,1|2,0,0]=4 4183 B17R2.2458 NNCc1ccccc1Sc2cnc(s2)N 62a_100000718969_200016993956 [0,1,0,0,0,1|2,0,0]=4 4184 B17R2.2458 NNCc1ccccc1Sc2cnc(s2)N 62a_200016993956_100000718969 [0,1,0,0,0,1|2,0,0]=4 4185 B17R2.2458 NNCc1ccccc1Sc2nc(cs2)Br 62a_200016082925_200016993956 [0,1,0,0,0,1|2,0,0]=4 4186 B17R2.2458 NNCc1ccccc1Sc2nc(cs2)Br 62a_200016993956_200016082925 [0,1,0,0,0,1|2,0,0]=4 4187 B17R2.2458 NNCc1ccccc1Sc2nc(cs2)N 62a_200015188442_200016993956 [0,1,0,0,0,1|2,0,0]=4 4188 B17R2.2458 NNCc1ccccc1Sc2nc(cs2)N 62a_200016993956_200015188442 [0,1,0,0,0,1|2,0,0]=4 4189 B17R2.2458 OCCc1ccccc1Sc2ccc(s2)Br 62a_100000731337_100010197418 [0,1,0,0,0,1|2,0,0]=4 4190 B17R2.2458 OCCc1ccccc1Sc2ccc(s2)Br 62a_100010197418_100000731337 [0,1,0,0,0,1|2,0,0]=4 4191 B17R2.3407 CCCOc1ccccc1Sc2ccco2 62a_100000174042_100009814098 [0,1,0,0,0,1|1,1,0]=4 4192 B17R2.3407 CCCOc1ccccc1Sc2ccco2 62a_100009814098_100000174042 [0,1,0,0,0,1|1,1,0]=4 4193 B17R2.3407 CCCOc1ccccc1Sc2cccs2 62a_100000174042_100011215356 [0,1,0,0,0,1|1,0,0]=3 4194 B17R2.3407 CCCOc1ccccc1Sc2cccs2 62a_100011215356_100000174042 [0,1,0,0,0,1|1,0,0]=3 4195 B17R2.3407 CCCOc1ccccc1Sc2cncs2 62a_100000174042_100011934649 [0,1,0,0,0,1|2,0,0]=4 4196 B17R2.3407 CCCOc1ccccc1Sc2cncs2 62a_100011934649_100000174042 [0,1,0,0,0,1|2,0,0]=4 4197 B17R2.3407 CCCOc1ccccc1Sc2nccs2 62a_100000174042_100000211983 [0,1,0,0,0,1|2,0,0]=4 4198 B17R2.3407 CCCOc1ccccc1Sc2nccs2 62a_100000211983_100000174042 [0,1,0,0,0,1|2,0,0]=4 4199 B17R2.3407 CCCOc1ncccc1Sc2cccs2 62a_100011215356_200011465209 [0,1,0,0,0,1|2,0,0]=4 4200 B17R2.3407 CCCOc1ncccc1Sc2cccs2 62a_200011465209_100011215356 [0,1,0,0,0,1|2,0,0]=4 4201 B17R2.3407 CCNCc1ccccc1Cn2cccn2 207a_100015525214_200000059821 [0,1,0,0,0,1|2,0,0]=4 4202 B17R2.3407 CCNCc1ccccc1Cn2cccn2 270004a_100015525214_200000059821 [0,1,0,0,0,1|2,0,0]=4 4203 B17R2.3407 CCNCc1ccccc1Cn2cccn2 34a_100000234957_100000210202 [0,1,0,0,0,1|2,0,0]=4 4204 B17R2.3407 CCOCc1ccccc1Sc2ccco2 62a_100009814098_200011493690 [0,1,0,0,0,1|1,1,0]=4 4205 B17R2.3407 CCOCc1ccccc1Sc2ccco2 62a_200011493690_100009814098 [0,1,0,0,0,1|1,1,0]=4 4206 B17R2.3407 CCOCc1ccccc1Sc2cccs2 62a_100011215356_200011493690 [0,1,0,0,0,1|1,0,0]=3 4207 B17R2.3407 CCOCc1ccccc1Sc2cccs2 62a_200011493690_100011215356 [0,1,0,0,0,1|1,0,0]=3 4208 B17R2.3407 CCOCc1ccccc1Sc2cncs2 62a_100011934649_200011493690 [0,1,0,0,0,1|2,0,0]=4 4209 B17R2.3407 CCOCc1ccccc1Sc2cncs2 62a_200011493690_100011934649 [0,1,0,0,0,1|2,0,0]=4 4210 B17R2.3407 CCOCc1ccccc1Sc2nccs2 62a_100000211983_200011493690 [0,1,0,0,0,1|2,0,0]=4 4211 B17R2.3407 CCOCc1ccccc1Sc2nccs2 62a_200011493690_100000211983 [0,1,0,0,0,1|2,0,0]=4 4212 B17R2.3407 CCSCc1ccccc1Sc2ccco2 62a_100009814098_200000173030 [0,1,0,0,0,1|1,1,0]=4 4213 B17R2.3407 CCSCc1ccccc1Sc2ccco2 62a_200000173030_100009814098 [0,1,0,0,0,1|1,1,0]=4 4214 B17R2.3407 CCSCc1ccccc1Sc2cncs2 62a_100011934649_200000173030 [0,1,0,0,0,1|2,0,0]=4 4215 B17R2.3407 CCSCc1ccccc1Sc2cncs2 62a_200000173030_100011934649 [0,1,0,0,0,1|2,0,0]=4 4216 B17R2.3407 CCSCc1ccccc1Sc2nccs2 62a_100000211983_200000173030 [0,1,0,0,0,1|2,0,0]=4 4217 B17R2.3407 CCSCc1ccccc1Sc2nccs2 62a_200000173030_100000211983 [0,1,0,0,0,1|2,0,0]=4 4218 B17R2.3407 COCOc1ccccc1Sc2ccco2 62a_100009814098_200000230759 [0,1,0,0,0,1|1,1,0]=4 4219 B17R2.3407 COCOc1ccccc1Sc2ccco2 62a_200000230759_100009814098 [0,1,0,0,0,1|1,1,0]=4 4220 B17R2.3407 COCOc1ccccc1Sc2cccs2 62a_100011215356_200000230759 [0,1,0,0,0,1|1,0,0]=3 4221 B17R2.3407 COCOc1ccccc1Sc2cccs2 62a_200000230759_100011215356 [0,1,0,0,0,1|1,0,0]=3 4222 B17R2.3407 COCOc1ccccc1Sc2cncs2 62a_100011934649_200000230759 [0,1,0,0,0,1|2,0,0]=4 4223 B17R2.3407 COCOc1ccccc1Sc2cncs2 62a_200000230759_100011934649 [0,1,0,0,0,1|2,0,0]=4 4224 B17R2.3407 COCOc1ccccc1Sc2nccs2 62a_100000211983_200000230759 [0,1,0,0,0,1|2,0,0]=4 4225 B17R2.3407 COCOc1ccccc1Sc2nccs2 62a_200000230759_100000211983 [0,1,0,0,0,1|2,0,0]=4 4226 B17R2.3407 COCOc1cccnc1Sc2cccs2 62a_100011215356_100011935308 [0,1,0,0,0,1|2,0,0]=4 4227 B17R2.3407 COCOc1cccnc1Sc2cccs2 62a_100011935308_100011215356 [0,1,0,0,0,1|2,0,0]=4 4228 B17R2.3407 FCNCc1ccccc1Cn2cccn2 34a_100000234957_100015361967 [0,1,0,0,0,1|2,0,0]=4 4229 B17R2.3407 N#CCOc1ccccc1Sc2cccs2 62a_100011215356_200000173881 [0,1,0,0,0,1|2,0,0]=4 4230 B17R2.3407 N#CCOc1ccccc1Sc2cccs2 62a_200000173881_100011215356 [0,1,0,0,0,1|2,0,0]=4 4231 B17R2.3407 N#CSCc1ccccc1Sc2cccs2 62a_100011215356_200010199460 [0,1,0,0,0,1|1,0,1]=4 4232 B17R2.3407 N#CSCc1ccccc1Sc2cccs2 62a_200010199460_100011215356 [0,1,0,0,0,1|1,0,1]=4 4233 B17R2.3407 NCCOc1ccccc1Sc2cccs2 62a_100000744007_100011215356 [0,1,0,0,0,1|2,0,0]=4 4234 B17R2.3407 NCCOc1ccccc1Sc2cccs2 62a_100011215356_100000744007 [0,1,0,0,0,1|2,0,0]=4 4235 B17R2.3407 O=CCCc1ccccc1Sc2cccs2 62a_100011215356_100011713448 [0,1,0,0,0,1|1,0,1]=4 4236 B17R2.3407 O=CCCc1ccccc1Sc2cccs2 62a_100011713448_100011215356 [0,1,0,0,0,1|1,0,1]=4 4237 B17R2.3407 OCC#Cc1ccccc1Sc2cccs2 62a_100009814404_100011215356 [0,1,0,0,0,1|1,0,1]=4 4238 B17R2.3407 OCC#Cc1ccccc1Sc2cccs2 62a_100011215356_100009814404 [0,1,0,0,0,1|1,0,1]=4 4239 B17R2.3407 OCCCc1ccccc1Sc2ccco2 62a_100000699526_100009814098 [0,1,0,0,0,1|1,1,0]=4 4240 B17R2.3407 OCCCc1ccccc1Sc2ccco2 62a_100009814098_100000699526 [0,1,0,0,0,1|1,1,0]=4 4241 B17R2.3407 OCCCc1ccccc1Sc2cccs2 62a_100000699526_100011215356 [0,1,0,0,0,1|1,0,0]=3 4242 B17R2.3407 OCCCc1ccccc1Sc2cccs2 62a_100011215356_100000699526 [0,1,0,0,0,1|1,0,0]=3 4243 B17R2.3407 OCCCc1ccccc1Sc2cncs2 62a_100000699526_100011934649 [0,1,0,0,0,1|2,0,0]=4 4244 B17R2.3407 OCCCc1ccccc1Sc2cncs2 62a_100011934649_100000699526 [0,1,0,0,0,1|2,0,0]=4 4245 B17R2.3407 OCCCc1ccccc1Sc2nccs2 62a_100000211983_100000699526 [0,1,0,0,0,1|2,0,0]=4 4246 B17R2.3407 OCCCc1ccccc1Sc2nccs2 62a_100000699526_100000211983 [0,1,0,0,0,1|2,0,0]=4 4247 B17R2.3407 OCCOc1ccccc1Sc2cccs2 62a_100000230753_100011215356 [0,1,0,0,0,1|2,0,0]=4 4248 B17R2.3407 OCCOc1ccccc1Sc2cccs2 62a_100011215356_100000230753 [0,1,0,0,0,1|2,0,0]=4 4249 B17R2.3407 OCCSc1ccccc1Sc2cccs2 62a_100011215356_200000230852 [0,1,0,0,0,1|2,0,0]=4 4250 B17R2.3407 OCCSc1ccccc1Sc2cccs2 62a_200000230852_100011215356 [0,1,0,0,0,1|2,0,0]=4 4251 B17R2.5890 C=CCc1ccccc1Sc2sccc2C 62a_100009828059_100010247149 [0,1,0,0,0,1|1,0,1]=4 4252 B17R2.5890 C=CCc1ccccc1Sc2sccc2C 62a_100010247149_100009828059 [0,1,0,0,0,1|1,0,1]=4 4253 B17R2.5890 CCNc1ccccc1Sc2sccc2C 62a_100010247149_114873767003 [0,1,0,0,0,1|2,0,0]=4 4254 B17R2.5890 CCNc1ccccc1Sc2sccc2C 62a_114873767003_100010247149 [0,1,0,0,0,1|2,0,0]=4 4255 B17R2.5890 CCOc1ccccc1Sc2sccc2C 62a_100000230754_100010247149 [0,1,0,0,0,1|2,0,0]=4 4256 B17R2.5890 CCOc1ccccc1Sc2sccc2C 62a_100010247149_100000230754 [0,1,0,0,0,1|2,0,0]=4 4257 B17R2.5890 CNCc1ccccc1Sc2[nH]cnc2Cl 62a_100000184654_100010200774 [0,1,0,0,0,1|2,0,0]=4 4258 B17R2.5890 CNCc1ccccc1Sc2[nH]cnc2Cl 62a_100010200774_100000184654 [0,1,0,0,0,1|2,0,0]=4 4259 B17R2.5890 CNCc1ccccc1Sc2ccnn2C 62a_100000184654_100000688441 [0,1,0,0,0,1|2,0,0]=4 4260 B17R2.5890 CNCc1ccccc1Sc2ccnn2C 62a_100000688441_100000184654 [0,1,0,0,0,1|2,0,0]=4 4261 B17R2.5890 CNCc1ccccc1Sc2ccsc2C 62a_100000184654_100000684487 [0,1,0,0,0,1|2,0,0]=4 4262 B17R2.5890 CNCc1ccccc1Sc2ccsc2C 62a_100000684487_100000184654 [0,1,0,0,0,1|2,0,0]=4 4263 B17R2.5890 CNCc1ccccc1Sc2cncn2C 62a_100000184654_100009814087 [0,1,0,0,0,1|2,0,0]=4 4264 B17R2.5890 CNCc1ccccc1Sc2cncn2C 62a_100009814087_100000184654 [0,1,0,0,0,1|2,0,0]=4 4265 B17R2.5890 CNCc1ccccc1Sc2cscc2Br 62a_100000184654_100010143727 [0,1,0,0,0,1|2,0,0]=4 4266 B17R2.5890 CNCc1ccccc1Sc2cscc2Br 62a_100010143727_100000184654 [0,1,0,0,0,1|2,0,0]=4 4267 B17R2.5890 CNCc1ccccc1Sc2cscc2C 62a_100000184654_100000759966 [0,1,0,0,0,1|2,0,0]=4 4268 B17R2.5890 CNCc1ccccc1Sc2cscc2C 62a_100000759966_100000184654 [0,1,0,0,0,1|2,0,0]=4 4269 B17R2.5890 CNCc1ccccc1Sc2n[nH]cc2Br 62a_100000184654_100015839836 [0,1,0,0,0,1|2,0,0]=4 4270 B17R2.5890 CNCc1ccccc1Sc2n[nH]cc2Br 62a_100015839836_100000184654 [0,1,0,0,0,1|2,0,0]=4 4271 B17R2.5890 CNCc1ccccc1Sc2n[nH]cc2C 62a_100000184654_100009871783 [0,1,0,0,0,1|2,0,0]=4 4272 B17R2.5890 CNCc1ccccc1Sc2n[nH]cc2C 62a_100009871783_100000184654 [0,1,0,0,0,1|2,0,0]=4 4273 B17R2.5890 CNCc1ccccc1Sc2n[nH]cc2N 62a_100000184654_100010894806 [0,1,0,0,0,1|2,0,0]=4 4274 B17R2.5890 CNCc1ccccc1Sc2n[nH]cc2N 62a_100010894806_100000184654 [0,1,0,0,0,1|2,0,0]=4 4275 B17R2.5890 CNCc1ccccc1Sc2nc[nH]c2C 62a_100000184654_100010186451 [0,1,0,0,0,1|2,0,0]=4 4276 B17R2.5890 CNCc1ccccc1Sc2nc[nH]c2C 62a_100010186451_100000184654 [0,1,0,0,0,1|2,0,0]=4 4277 B17R2.5890 CNCc1ccccc1Sc2nccn2C 62a_100000184654_100000707724 [0,1,0,0,0,1|2,0,0]=4 4278 B17R2.5890 CNCc1ccccc1Sc2nccn2C 62a_100000707724_100000184654 [0,1,0,0,0,1|2,0,0]=4 4279 B17R2.5890 CNCc1ccccc1Sc2ncsc2C 62a_100000184654_100000732656 [0,1,0,0,0,1|2,0,0]=4 4280 B17R2.5890 CNCc1ccccc1Sc2ncsc2C 62a_100000732656_100000184654 [0,1,0,0,0,1|2,0,0]=4 4281 B17R2.5890 CNCc1ccccc1Sc2sccc2Br 62a_100000184654_100012361411 [0,1,0,0,0,1|0,0,0]=2 4282 B17R2.5890 CNCc1ccccc1Sc2sccc2Br 62a_100012361411_100000184654 [0,1,0,0,0,1|0,0,0]=2 4283 B17R2.5890 CNCc1ccccc1Sc2sccc2C 62a_100000184654_100010247149 [0,1,0,0,0,1|0,0,0]=2 4284 B17R2.5890 CNCc1ccccc1Sc2sccc2C 62a_100010247149_100000184654 [0,1,0,0,0,1|0,0,0]=2 4285 B17R2.5890 CNCc1ccccc1Sc2scnc2C 62a_100000184654_100009817116 [0,1,0,0,0,1|1,0,0]=3 4286 B17R2.5890 CNCc1ccccc1Sc2scnc2C 62a_100009817116_100000184654 [0,1,0,0,0,1|1,0,0]=3 4287 B17R2.5890 CNCc1cccnc1Sc2sccc2Br 62a_100012361411_103496529121 [0,1,0,0,0,1|1,0,0]=3 4288 B17R2.5890 CNCc1cccnc1Sc2sccc2Br 62a_103496529121_100012361411 [0,1,0,0,0,1|1,0,0]=3 4289 B17R2.5890 CNCc1cccnc1Sc2sccc2C 62a_100010247149_103496529121 [0,1,0,0,0,1|1,0,0]=3 4290 B17R2.5890 CNCc1cccnc1Sc2sccc2C 62a_103496529121_100010247149 [0,1,0,0,0,1|1,0,0]=3 4291 B17R2.5890 CNCc1cccnc1Sc2scnc2C 62a_100009817116_103496529121 [0,1,0,0,0,1|2,0,0]=4 4292 B17R2.5890 CNCc1cccnc1Sc2scnc2C 62a_103496529121_100009817116 [0,1,0,0,0,1|2,0,0]=4 4293 B17R2.5890 COCc1ccccc1Sc2sccc2Br 62a_100011493684_100012361411 [0,1,0,0,0,1|1,0,0]=3 4294 B17R2.5890 COCc1ccccc1Sc2sccc2Br 62a_100012361411_100011493684 [0,1,0,0,0,1|1,0,0]=3 4295 B17R2.5890 COCc1ccccc1Sc2sccc2C 62a_100010247149_100011493684 [0,1,0,0,0,1|1,0,0]=3 4296 B17R2.5890 COCc1ccccc1Sc2sccc2C 62a_100011493684_100010247149 [0,1,0,0,0,1|1,0,0]=3 4297 B17R2.5890 COCc1ccccc1Sc2scnc2C 62a_100009817116_100011493684 [0,1,0,0,0,1|2,0,0]=4 4298 B17R2.5890 COCc1ccccc1Sc2scnc2C 62a_100011493684_100009817116 [0,1,0,0,0,1|2,0,0]=4 4299 B17R2.5890 CSCc1ccccc1Sc2scnc2C 62a_100000148299_100009817116 [0,1,0,0,0,1|2,0,0]=4 4300 B17R2.5890 CSCc1ccccc1Sc2scnc2C 62a_100009817116_100000148299 [0,1,0,0,0,1|2,0,0]=4 4301 B17R2.5890 Cc1ccsc1Sc2ccccc2CC#N 62a_100000033512_100010247149 [0,1,0,0,0,1|2,0,0]=4 4302 B17R2.5890 Cc1ccsc1Sc2ccccc2CC#N 62a_100010247149_100000033512 [0,1,0,0,0,1|2,0,0]=4 4303 B17R2.5890 Cc1ccsc1Sc2ccccc2CCN 62a_100000747383_100010247149 [0,1,0,0,0,1|2,0,0]=4 4304 B17R2.5890 Cc1ccsc1Sc2ccccc2CCN 62a_100010247149_100000747383 [0,1,0,0,0,1|2,0,0]=4 4305 B17R2.5890 Cc1ccsc1Sc2ccccc2CCO 62a_100000731337_100010247149 [0,1,0,0,0,1|2,0,0]=4 4306 B17R2.5890 Cc1ccsc1Sc2ccccc2CCO 62a_100010247149_100000731337 [0,1,0,0,0,1|2,0,0]=4 4307 B17R2.5890 Cc1ccsc1Sc2ccccc2CNN 62a_100010247149_200016993956 [0,1,0,0,0,1|1,0,0]=3 4308 B17R2.5890 Cc1ccsc1Sc2ccccc2CNN 62a_200016993956_100010247149 [0,1,0,0,0,1|1,0,0]=3 4309 B17R2.5890 Cc1ncsc1Sc2ccccc2CNN 62a_100009817116_200016993956 [0,1,0,0,0,1|2,0,0]=4 4310 B17R2.5890 Cc1ncsc1Sc2ccccc2CNN 62a_200016993956_100009817116 [0,1,0,0,0,1|2,0,0]=4 4311 B17R2.5890 N#CCc1ccccc1Sc2sccc2Br 62a_100000033512_100012361411 [0,1,0,0,0,1|2,0,0]=4 4312 B17R2.5890 N#CCc1ccccc1Sc2sccc2Br 62a_100012361411_100000033512 [0,1,0,0,0,1|2,0,0]=4 4313 B17R2.5890 NCCc1ccccc1Sc2sccc2Br 62a_100000747383_100012361411 [0,1,0,0,0,1|2,0,0]=4 4314 B17R2.5890 NCCc1ccccc1Sc2sccc2Br 62a_100012361411_100000747383 [0,1,0,0,0,1|2,0,0]=4 4315 B17R2.5890 NNCc1ccccc1Sc2sccc2Br 62a_100012361411_200016993956 [0,1,0,0,0,1|1,0,0]=3 4316 B17R2.5890 NNCc1ccccc1Sc2sccc2Br 62a_200016993956_100012361411 [0,1,0,0,0,1|1,0,0]=3 4317 B17R2.5890 OCCc1ccccc1Sc2sccc2Br 62a_100000731337_100012361411 [0,1,0,0,0,1|2,0,0]=4 4318 B17R2.5890 OCCc1ccccc1Sc2sccc2Br 62a_100012361411_100000731337 [0,1,0,0,0,1|2,0,0]=4 4319 B17R2.8454 CCOc1c(cccc1Sc2cccs2)F 62a_100010232518_100011215356 [0,1,0,0,0,1|2,0,0]=4 4320 B17R2.8454 CCOc1c(cccc1Sc2cccs2)F 62a_100011215356_100010232518 [0,1,0,0,0,1|2,0,0]=4 4321 B17R2.8454 CNCc1c(cccc1Sc2c[nH]cn2)F 62a_100000756875_106744473292 [0,1,0,0,0,1|2,0,0]=4 4322 B17R2.8454 CNCc1c(cccc1Sc2c[nH]cn2)F 62a_106744473292_100000756875 [0,1,0,0,0,1|2,0,0]=4 4323 B17R2.8454 CNCc1c(cccc1Sc2cc[nH]n2)F 62a_100000062575_106744473292 [0,1,0,0,0,1|2,0,0]=4 4324 B17R2.8454 CNCc1c(cccc1Sc2cc[nH]n2)F 62a_106744473292_100000062575 [0,1,0,0,0,1|2,0,0]=4 4325 B17R2.8454 CNCc1c(cccc1Sc2ccco2)F 62a_100009814098_106744473292 [0,1,0,0,0,1|0,1,0]=3 4326 B17R2.8454 CNCc1c(cccc1Sc2ccco2)F 62a_106744473292_100009814098 [0,1,0,0,0,1|0,1,0]=3 4327 B17R2.8454 CNCc1c(cccc1Sc2cccs2)F 62a_100011215356_106744473292 [0,1,0,0,0,1|0,0,0]=2 4328 B17R2.8454 CNCc1c(cccc1Sc2cccs2)F 62a_106744473292_100011215356 [0,1,0,0,0,1|0,0,0]=2 4329 B17R2.8454 CNCc1c(cccc1Sc2ccoc2)F 62a_100011215275_106744473292 [0,1,0,0,0,1|2,0,0]=4 4330 B17R2.8454 CNCc1c(cccc1Sc2ccoc2)F 62a_106744473292_100011215275 [0,1,0,0,0,1|2,0,0]=4 4331 B17R2.8454 CNCc1c(cccc1Sc2ccon2)F 62a_100009818083_106744473292 [0,1,0,0,0,1|2,0,0]=4 4332 B17R2.8454 CNCc1c(cccc1Sc2ccon2)F 62a_106744473292_100009818083 [0,1,0,0,0,1|2,0,0]=4 4333 B17R2.8454 CNCc1c(cccc1Sc2ccsc2)F 62a_100000738268_106744473292 [0,1,0,0,0,1|2,0,0]=4 4334 B17R2.8454 CNCc1c(cccc1Sc2ccsc2)F 62a_106744473292_100000738268 [0,1,0,0,0,1|2,0,0]=4 4335 B17R2.8454 CNCc1c(cccc1Sc2ccsn2)F 62a_100009818082_106744473292 [0,1,0,0,0,1|2,0,0]=4 4336 B17R2.8454 CNCc1c(cccc1Sc2ccsn2)F 62a_106744473292_100009818082 [0,1,0,0,0,1|2,0,0]=4 4337 B17R2.8454 CNCc1c(cccc1Sc2cnco2)F 62a_100020591547_106744473292 [0,1,0,0,0,1|1,1,0]=4 4338 B17R2.8454 CNCc1c(cccc1Sc2cnco2)F 62a_106744473292_100020591547 [0,1,0,0,0,1|1,1,0]=4 4339 B17R2.8454 CNCc1c(cccc1Sc2cncs2)F 62a_100011934649_106744473292 [0,1,0,0,0,1|1,0,0]=3 4340 B17R2.8454 CNCc1c(cccc1Sc2cncs2)F 62a_106744473292_100011934649 [0,1,0,0,0,1|1,0,0]=3 4341 B17R2.8454 CNCc1c(cccc1Sc2cscn2)F 62a_100000751502_106744473292 [0,1,0,0,0,1|2,0,0]=4 4342 B17R2.8454 CNCc1c(cccc1Sc2cscn2)F 62a_106744473292_100000751502 [0,1,0,0,0,1|2,0,0]=4 4343 B17R2.8454 CNCc1c(cccc1Sc2ncc[nH]2)F 62a_100025796157_106744473292 [0,1,0,0,0,1|2,0,0]=4 4344 B17R2.8454 CNCc1c(cccc1Sc2ncc[nH]2)F 62a_106744473292_100025796157 [0,1,0,0,0,1|2,0,0]=4 4345 B17R2.8454 CNCc1c(cccc1Sc2ncco2)F 62a_100011787736_106744473292 [0,1,0,0,0,1|1,1,0]=4 4346 B17R2.8454 CNCc1c(cccc1Sc2ncco2)F 62a_106744473292_100011787736 [0,1,0,0,0,1|1,1,0]=4 4347 B17R2.8454 CNCc1c(cccc1Sc2nccs2)F 62a_100000211983_106744473292 [0,1,0,0,0,1|1,0,0]=3 4348 B17R2.8454 CNCc1c(cccc1Sc2nccs2)F 62a_106744473292_100000211983 [0,1,0,0,0,1|1,0,0]=3 4349 B17R2.8454 CNCc1c(cccc1Sc2ncns2)F 62a_100000693119_106744473292 [0,1,0,0,0,1|2,0,0]=4 4350 B17R2.8454 CNCc1c(cccc1Sc2ncns2)F 62a_106744473292_100000693119 [0,1,0,0,0,1|2,0,0]=4 4351 B17R2.8454 CNCc1c(cccc1Sc2nncs2)F 62a_100000739804_106744473292 [0,1,0,0,0,1|2,0,0]=4 4352 B17R2.8454 CNCc1c(cccc1Sc2nncs2)F 62a_106744473292_100000739804 [0,1,0,0,0,1|2,0,0]=4 4353 B17R2.8454 Cc1cccc(c1CC#N)Sc2cccs2 62a_100010147027_100011215356 [0,1,0,0,0,1|2,0,0]=4 4354 B17R2.8454 Cc1cccc(c1CC#N)Sc2cccs2 62a_100011215356_100010147027 [0,1,0,0,0,1|2,0,0]=4 4355 B17R2.8454 N#CCc1c(cccc1Sc2cccs2)F 62a_100009817144_100011215356 [0,1,0,0,0,1|2,0,0]=4 4356 B17R2.8454 N#CCc1c(cccc1Sc2cccs2)F 62a_100011215356_100009817144 [0,1,0,0,0,1|2,0,0]=4 4357 B17R2.19200 CCOc1ccc(cc1Sc2cccs2)C 62a_100011215356_200000230997 [0,1,0,0,0,1|2,0,0]=4 4358 B17R2.19200 CCOc1ccc(cc1Sc2cccs2)C 62a_200000230997_100011215356 [0,1,0,0,0,1|2,0,0]=4 4359 B17R2.19200 CCOc1ccc(cc1Sc2cccs2)F 62a_100000171695_100011215356 [0,1,0,0,0,1|2,0,0]=4 4360 B17R2.19200 CCOc1ccc(cc1Sc2cccs2)F 62a_100011215356_100000171695 [0,1,0,0,0,1|2,0,0]=4 4361 B17R2.19200 CNCc1ccc(cc1Sc2c[nH]cn2)F 62a_100000756875_200011192132 [0,1,0,0,0,1|2,0,0]=4 4362 B17R2.19200 CNCc1ccc(cc1Sc2c[nH]cn2)F 62a_200011192132_100000756875 [0,1,0,0,0,1|2,0,0]=4 4363 B17R2.19200 CNCc1ccc(cc1Sc2cc[nH]n2)F 62a_100000062575_200011192132 [0,1,0,0,0,1|2,0,0]=4 4364 B17R2.19200 CNCc1ccc(cc1Sc2cc[nH]n2)F 62a_200011192132_100000062575 [0,1,0,0,0,1|2,0,0]=4 4365 B17R2.19200 CNCc1ccc(cc1Sc2ccco2)F 62a_100009814098_200011192132 [0,1,0,0,0,1|0,1,0]=3 4366 B17R2.19200 CNCc1ccc(cc1Sc2ccco2)F 62a_200011192132_100009814098 [0,1,0,0,0,1|0,1,0]=3 4367 B17R2.19200 CNCc1ccc(cc1Sc2cccs2)F 62a_100011215356_200011192132 [0,1,0,0,0,1|0,0,0]=2 4368 B17R2.19200 CNCc1ccc(cc1Sc2cccs2)F 62a_200011192132_100011215356 [0,1,0,0,0,1|0,0,0]=2 4369 B17R2.19200 CNCc1ccc(cc1Sc2ccoc2)F 62a_100011215275_200011192132 [0,1,0,0,0,1|2,0,0]=4 4370 B17R2.19200 CNCc1ccc(cc1Sc2ccoc2)F 62a_200011192132_100011215275 [0,1,0,0,0,1|2,0,0]=4 4371 B17R2.19200 CNCc1ccc(cc1Sc2ccon2)F 62a_100009818083_200011192132 [0,1,0,0,0,1|2,0,0]=4 4372 B17R2.19200 CNCc1ccc(cc1Sc2ccon2)F 62a_200011192132_100009818083 [0,1,0,0,0,1|2,0,0]=4 4373 B17R2.19200 CNCc1ccc(cc1Sc2ccsc2)F 62a_100000738268_200011192132 [0,1,0,0,0,1|2,0,0]=4 4374 B17R2.19200 CNCc1ccc(cc1Sc2ccsc2)F 62a_200011192132_100000738268 [0,1,0,0,0,1|2,0,0]=4 4375 B17R2.19200 CNCc1ccc(cc1Sc2ccsn2)F 62a_100009818082_200011192132 [0,1,0,0,0,1|2,0,0]=4 4376 B17R2.19200 CNCc1ccc(cc1Sc2ccsn2)F 62a_200011192132_100009818082 [0,1,0,0,0,1|2,0,0]=4 4377 B17R2.19200 CNCc1ccc(cc1Sc2cnco2)F 62a_100020591547_200011192132 [0,1,0,0,0,1|1,1,0]=4 4378 B17R2.19200 CNCc1ccc(cc1Sc2cnco2)F 62a_200011192132_100020591547 [0,1,0,0,0,1|1,1,0]=4 4379 B17R2.19200 CNCc1ccc(cc1Sc2cncs2)F 62a_100011934649_200011192132 [0,1,0,0,0,1|1,0,0]=3 4380 B17R2.19200 CNCc1ccc(cc1Sc2cncs2)F 62a_200011192132_100011934649 [0,1,0,0,0,1|1,0,0]=3 4381 B17R2.19200 CNCc1ccc(cc1Sc2cscn2)F 62a_100000751502_200011192132 [0,1,0,0,0,1|2,0,0]=4 4382 B17R2.19200 CNCc1ccc(cc1Sc2cscn2)F 62a_200011192132_100000751502 [0,1,0,0,0,1|2,0,0]=4 4383 B17R2.19200 CNCc1ccc(cc1Sc2ncc[nH]2)F 62a_100025796157_200011192132 [0,1,0,0,0,1|2,0,0]=4 4384 B17R2.19200 CNCc1ccc(cc1Sc2ncc[nH]2)F 62a_200011192132_100025796157 [0,1,0,0,0,1|2,0,0]=4 4385 B17R2.19200 CNCc1ccc(cc1Sc2ncco2)F 62a_100011787736_200011192132 [0,1,0,0,0,1|1,1,0]=4 4386 B17R2.19200 CNCc1ccc(cc1Sc2ncco2)F 62a_200011192132_100011787736 [0,1,0,0,0,1|1,1,0]=4 4387 B17R2.19200 CNCc1ccc(cc1Sc2nccs2)F 62a_100000211983_200011192132 [0,1,0,0,0,1|1,0,0]=3 4388 B17R2.19200 CNCc1ccc(cc1Sc2nccs2)F 62a_200011192132_100000211983 [0,1,0,0,0,1|1,0,0]=3 4389 B17R2.19200 CNCc1ccc(cc1Sc2ncns2)F 62a_100000693119_200011192132 [0,1,0,0,0,1|2,0,0]=4 4390 B17R2.19200 CNCc1ccc(cc1Sc2ncns2)F 62a_200011192132_100000693119 [0,1,0,0,0,1|2,0,0]=4 4391 B17R2.19200 CNCc1ccc(cc1Sc2nncs2)F 62a_100000739804_200011192132 [0,1,0,0,0,1|2,0,0]=4 4392 B17R2.19200 CNCc1ccc(cc1Sc2nncs2)F 62a_200011192132_100000739804 [0,1,0,0,0,1|2,0,0]=4 4393 B17R2.19200 N#CCc1ccc(cc1Sc2cccs2)F 62a_100011207962_100011215356 [0,1,0,0,0,1|2,0,0]=4 4394 B17R2.19200 N#CCc1ccc(cc1Sc2cccs2)F 62a_100011215356_100011207962 [0,1,0,0,0,1|2,0,0]=4 4395 B17R2.34169 Cc1cccc(c1Sc2cccs2)CC#N 62a_100010147024_100011215356 [0,1,0,0,0,1|2,0,0]=4 4396 B17R2.34169 Cc1cccc(c1Sc2cccs2)CC#N 62a_100011215356_100010147024 [0,1,0,0,0,1|2,0,0]=4 4397 B17R2.45978 CCOc1cc(ccc1Sc2cccs2)C 62a_100011215356_200010713166 [0,1,0,0,0,1|2,0,0]=4 4398 B17R2.45978 CCOc1cc(ccc1Sc2cccs2)C 62a_200010713166_100011215356 [0,1,0,0,0,1|2,0,0]=4 4399 B17R2.45978 CCOc1cc(ccc1Sc2cccs2)F 62a_100011215356_200012340411 [0,1,0,0,0,1|2,0,0]=4 4400 B17R2.45978 CCOc1cc(ccc1Sc2cccs2)F 62a_200012340411_100011215356 [0,1,0,0,0,1|2,0,0]=4 4401 B17R2.45978 CCOc1cc(ccc1Sc2cccs2)N 62a_100011215356_200016990551 [0,1,0,0,0,1|2,0,0]=4 4402 B17R2.45978 CCOc1cc(ccc1Sc2cccs2)N 62a_200016990551_100011215356 [0,1,0,0,0,1|2,0,0]=4 4403 B17R2.45978 Cc1ccc(c(c1)CC#N)Sc2cccs2 62a_100010147026_100011215356 [0,1,0,0,0,1|2,0,0]=4 4404 B17R2.45978 Cc1ccc(c(c1)CC#N)Sc2cccs2 62a_100011215356_100010147026 [0,1,0,0,0,1|2,0,0]=4 4405 B17R2.45978 N#CCc1cc(ccc1Sc2cccs2)F 62a_100011206898_100011215356 [0,1,0,0,0,1|2,0,0]=4 4406 B17R2.45978 N#CCc1cc(ccc1Sc2cccs2)F 62a_100011215356_100011206898 [0,1,0,0,0,1|2,0,0]=4 4407 B17R2.181 C#CCOc1ccccc1c2cc(cs2)C 271570a_100120463016_100009876951 [0,2,0,0,0,0|1,0,1]=4 4408 B17R2.181 C#CCOc1ccccc1c2ccc(s2)Br 271570a_100120463016_100010197418 [0,2,0,0,0,0|1,0,1]=4 4409 B17R2.181 C#CCOc1ccccc1c2ccc(s2)C 271570a_100120463016_100000761539 [0,2,0,0,0,0|1,0,1]=4 4410 B17R2.181 C=CCOc1ccccc1c2cc(cs2)C 271570a_100011263033_100009876951 [0,2,0,0,0,0|1,0,1]=4 4411 B17R2.181 C=CCOc1ccccc1c2ccc(s2)Br 271570a_100011263033_100010197418 [0,2,0,0,0,0|1,0,1]=4 4412 B17R2.181 C=CCOc1ccccc1c2ccc(s2)C 271570a_100011263033_100000761539 [0,2,0,0,0,0|1,0,1]=4 4413 B17R2.181 CCCNc1ccccc1c2ccc(o2)C 34a_100015293392_100000210303 [0,2,0,0,0,0|1,1,0]=4 4414 B17R2.181 CCCNc1ccccc1c2ccc(o2)C 7a_100015293392_100000210303 [0,2,0,0,0,0|1,1,0]=4 4415 B17R2.181 CCCOc1ccccc1c2cc(cs2)C 271570a_100000038307_100000174042 [0,2,0,0,0,0|1,0,0]=3 4416 B17R2.181 CCCOc1ccccc1c2cc(cs2)C 271570a_100011216077_100009876951 [0,2,0,0,0,0|1,0,0]=3 4417 B17R2.181 CCCOc1ccccc1c2cc(ns2)C 271570a_100011216077_100009815735 [0,2,0,0,0,0|2,0,0]=4 4418 B17R2.181 CCCOc1ccccc1c2ccc(o2)C 271570a_100000061910_100000174042 [0,2,0,0,0,0|1,1,0]=4 4419 B17R2.181 CCCOc1ccccc1c2ccc(s2)Br 271570a_100011216077_100010197418 [0,2,0,0,0,0|1,0,0]=3 4420 B17R2.181 CCCOc1ccccc1c2ccc(s2)C 271570a_100011216077_100000761539 [0,2,0,0,0,0|1,0,0]=3 4421 B17R2.181 CCCOc1ccccc1c2ccc(s2)C 271570a_100011934456_100000174042 [0,2,0,0,0,0|1,0,0]=3 4422 B17R2.181 CCCOc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000174042 [0,2,0,0,0,0|1,0,0]=3 4423 B17R2.181 CCCOc1ccccc1c2cnc(s2)C 271570a_100000696845_100000174042 [0,2,0,0,0,0|2,0,0]=4 4424 B17R2.181 CCCOc1ccccc1c2cnc(s2)C 271570a_100011216077_100000764884 [0,2,0,0,0,0|2,0,0]=4 4425 B17R2.181 CCCOc1ccccc1c2nc(cs2)Br 271570a_100011216077_200016082925 [0,2,0,0,0,0|2,0,0]=4 4426 B17R2.181 CCCOc1ccccc1c2nc(cs2)C 271570a_100011216077_100011291629 [0,2,0,0,0,0|2,0,0]=4 4427 B17R2.181 CCCOc1ccccc1c2nc(cs2)N 271570a_100011216077_200015188442 [0,2,0,0,0,0|2,0,0]=4 4428 B17R2.181 CCCOc1ccccc1c2ncc(s2)C 271570a_100011216077_100000690809 [0,2,0,0,0,0|2,0,0]=4 4429 B17R2.181 CCCOc1ncccc1c2cc(cs2)C 271570a_100000038307_200011465209 [0,2,0,0,0,0|2,0,0]=4 4430 B17R2.181 CCCOc1ncccc1c2cc(cs2)C 271570a_100000047057_100009876951 [0,2,0,0,0,0|2,0,0]=4 4431 B17R2.181 CCCOc1ncccc1c2ccc(s2)Br 271570a_100000047057_100010197418 [0,2,0,0,0,0|2,0,0]=4 4432 B17R2.181 CCCOc1ncccc1c2ccc(s2)C 271570a_100000047057_100000761539 [0,2,0,0,0,0|2,0,0]=4 4433 B17R2.181 CCCOc1ncccc1c2ccc(s2)C 271570a_100011934456_200011465209 [0,2,0,0,0,0|2,0,0]=4 4434 B17R2.181 CCCOc1ncccc1c2ccc(s2)Cl 271570a_100000708867_200011465209 [0,2,0,0,0,0|2,0,0]=4 4435 B17R2.181 CCNCc1ccccc1c2ccc(o2)C 207a_100015525214_200000035963 [0,2,0,0,0,0|0,1,0]=3 4436 B17R2.181 CCNCc1ccccc1c2ccc(o2)C 270004a_100015525214_200000035963 [0,2,0,0,0,0|0,1,0]=3 4437 B17R2.181 CCOCc1ccccc1c2cc(cs2)C 271570a_100000038307_200011493690 [0,2,0,0,0,0|1,0,0]=3 4438 B17R2.181 CCOCc1ccccc1c2ccc(o2)C 271570a_100000061910_200011493690 [0,2,0,0,0,0|1,1,0]=4 4439 B17R2.181 CCOCc1ccccc1c2ccc(s2)C 271570a_100011934456_200011493690 [0,2,0,0,0,0|1,0,0]=3 4440 B17R2.181 CCOCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200011493690 [0,2,0,0,0,0|1,0,0]=3 4441 B17R2.181 CCOCc1ccccc1c2cnc(s2)C 271570a_100000696845_200011493690 [0,2,0,0,0,0|2,0,0]=4 4442 B17R2.181 CCSCc1ccccc1c2cc(cs2)C 271570a_100000038307_200000173030 [0,2,0,0,0,0|1,0,0]=3 4443 B17R2.181 CCSCc1ccccc1c2ccc(o2)C 271570a_100000061910_200000173030 [0,2,0,0,0,0|1,1,0]=4 4444 B17R2.181 CCSCc1ccccc1c2ccc(s2)C 271570a_100011934456_200000173030 [0,2,0,0,0,0|1,0,0]=3 4445 B17R2.181 CCSCc1ccccc1c2cnc(s2)C 271570a_100000696845_200000173030 [0,2,0,0,0,0|2,0,0]=4 4446 B17R2.181 COCOc1ccccc1c2cc(cs2)C 271570a_100000038307_200000230759 [0,2,0,0,0,0|1,0,0]=3 4447 B17R2.181 COCOc1ccccc1c2cc(cs2)C 271570a_100012001573_100009876951 [0,2,0,0,0,0|1,0,0]=3 4448 B17R2.181 COCOc1ccccc1c2cc(ns2)C 271570a_100012001573_100009815735 [0,2,0,0,0,0|2,0,0]=4 4449 B17R2.181 COCOc1ccccc1c2ccc(o2)C 271570a_100000061910_200000230759 [0,2,0,0,0,0|1,1,0]=4 4450 B17R2.181 COCOc1ccccc1c2ccc(s2)Br 271570a_100012001573_100010197418 [0,2,0,0,0,0|1,0,0]=3 4451 B17R2.181 COCOc1ccccc1c2ccc(s2)C 271570a_100011934456_200000230759 [0,2,0,0,0,0|1,0,0]=3 4452 B17R2.181 COCOc1ccccc1c2ccc(s2)C 271570a_100012001573_100000761539 [0,2,0,0,0,0|1,0,0]=3 4453 B17R2.181 COCOc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200000230759 [0,2,0,0,0,0|1,0,0]=3 4454 B17R2.181 COCOc1ccccc1c2cnc(s2)C 271570a_100000696845_200000230759 [0,2,0,0,0,0|2,0,0]=4 4455 B17R2.181 COCOc1ccccc1c2cnc(s2)C 271570a_100012001573_100000764884 [0,2,0,0,0,0|2,0,0]=4 4456 B17R2.181 COCOc1ccccc1c2nc(cs2)Br 271570a_100012001573_200016082925 [0,2,0,0,0,0|2,0,0]=4 4457 B17R2.181 COCOc1ccccc1c2nc(cs2)C 271570a_100012001573_100011291629 [0,2,0,0,0,0|2,0,0]=4 4458 B17R2.181 COCOc1ccccc1c2nc(cs2)N 271570a_100012001573_200015188442 [0,2,0,0,0,0|2,0,0]=4 4459 B17R2.181 COCOc1ccccc1c2ncc(s2)C 271570a_100012001573_100000690809 [0,2,0,0,0,0|2,0,0]=4 4460 B17R2.181 COCOc1cccnc1c2cc(cs2)C 271570a_100000038307_100011935308 [0,2,0,0,0,0|2,0,0]=4 4461 B17R2.181 COCOc1cccnc1c2ccc(s2)C 271570a_100011934456_100011935308 [0,2,0,0,0,0|2,0,0]=4 4462 B17R2.181 COCOc1cccnc1c2ccc(s2)Cl 271570a_100000708867_100011935308 [0,2,0,0,0,0|2,0,0]=4 4463 B17R2.181 CSCNc1ccccc1c2ccc(o2)C 34a_100015293392_100011218213 [0,2,0,0,0,0|1,1,0]=4 4464 B17R2.181 Cc1ccc(o1)c2ccccc2CCCO 271570a_100000061910_100000699526 [0,2,0,0,0,0|1,1,0]=4 4465 B17R2.181 Cc1ccc(s1)c2ccccc2C#CCO 271570a_100011934456_100009814404 [0,2,0,0,0,0|1,0,1]=4 4466 B17R2.181 Cc1ccc(s1)c2ccccc2CCC=O 271570a_100011934456_100011713448 [0,2,0,0,0,0|1,0,1]=4 4467 B17R2.181 Cc1ccc(s1)c2ccccc2CCCO 271570a_100011934456_100000699526 [0,2,0,0,0,0|1,0,0]=3 4468 B17R2.181 Cc1ccc(s1)c2ccccc2CN=[N+]=[N-] 271570a_200010363339_100000761539 [0,2,0,0,0,0|1,0,1]=4 4469 B17R2.181 Cc1ccc(s1)c2ccccc2CSC#N 271570a_100011934456_200010199460 [0,2,0,0,0,0|1,0,1]=4 4470 B17R2.181 Cc1ccc(s1)c2ccccc2OCC#N 271570a_100011934456_200000173881 [0,2,0,0,0,0|2,0,0]=4 4471 B17R2.181 Cc1ccc(s1)c2ccccc2OCCN 271570a_100011934456_100000744007 [0,2,0,0,0,0|2,0,0]=4 4472 B17R2.181 Cc1ccc(s1)c2ccccc2OCCO 271570a_100011934456_100000230753 [0,2,0,0,0,0|2,0,0]=4 4473 B17R2.181 Cc1ccc(s1)c2ccccc2SCCO 271570a_100011934456_200000230852 [0,2,0,0,0,0|2,0,0]=4 4474 B17R2.181 Cc1csc(c1)c2ccccc2C#CCO 271570a_100000038307_100009814404 [0,2,0,0,0,0|1,0,1]=4 4475 B17R2.181 Cc1csc(c1)c2ccccc2CCC=O 271570a_100000038307_100011713448 [0,2,0,0,0,0|1,0,1]=4 4476 B17R2.181 Cc1csc(c1)c2ccccc2CCCO 271570a_100000038307_100000699526 [0,2,0,0,0,0|1,0,0]=3 4477 B17R2.181 Cc1csc(c1)c2ccccc2CN=[N+]=[N-] 271570a_200010363339_100009876951 [0,2,0,0,0,0|1,0,1]=4 4478 B17R2.181 Cc1csc(c1)c2ccccc2CSC#N 271570a_100000038307_200010199460 [0,2,0,0,0,0|1,0,1]=4 4479 B17R2.181 Cc1csc(c1)c2ccccc2OCC#N 271570a_100000038307_200000173881 [0,2,0,0,0,0|2,0,0]=4 4480 B17R2.181 Cc1csc(c1)c2ccccc2OCCN 271570a_100000038307_100000744007 [0,2,0,0,0,0|2,0,0]=4 4481 B17R2.181 Cc1csc(c1)c2ccccc2OCCO 271570a_100000038307_100000230753 [0,2,0,0,0,0|2,0,0]=4 4482 B17R2.181 Cc1csc(c1)c2ccccc2SCCO 271570a_100000038307_200000230852 [0,2,0,0,0,0|2,0,0]=4 4483 B17R2.181 Cc1ncc(s1)c2ccccc2CCCO 271570a_100000696845_100000699526 [0,2,0,0,0,0|2,0,0]=4 4484 B17R2.181 N#CCOc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200000173881 [0,2,0,0,0,0|2,0,0]=4 4485 B17R2.181 N#CSCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200010199460 [0,2,0,0,0,0|1,0,1]=4 4486 B17R2.181 NCCOc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000744007 [0,2,0,0,0,0|2,0,0]=4 4487 B17R2.181 O=CCCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100011713448 [0,2,0,0,0,0|1,0,1]=4 4488 B17R2.181 OCC#Cc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100009814404 [0,2,0,0,0,0|1,0,1]=4 4489 B17R2.181 OCCCc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000699526 [0,2,0,0,0,0|1,0,0]=3 4490 B17R2.181 OCCOc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000230753 [0,2,0,0,0,0|2,0,0]=4 4491 B17R2.181 OCCSc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200000230852 [0,2,0,0,0,0|2,0,0]=4 4492 B17R2.181 [N-]=[N+]=NCc1ccccc1c2ccc(s2)Br 271570a_200010363339_100010197418 [0,2,0,0,0,0|1,0,1]=4 4493 B17R2.522 CC(C#N)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_200010232107 [0,2,0,0,0,0|2,0,0]=4 4494 B17R2.522 CCC(C)c1ccccc1c2cc(ns2)C 271570a_200160469096_100009815735 [0,2,0,0,0,0|2,0,0]=4 4495 B17R2.522 CCC(C)c1ccccc1c2cnc(s2)C 271570a_200160469096_100000764884 [0,2,0,0,0,0|2,0,0]=4 4496 B17R2.522 CCC(C)c1ccccc1c2nc(cs2)C 271570a_200160469096_100011291629 [0,2,0,0,0,0|2,0,0]=4 4497 B17R2.522 CCC(C)c1ccccc1c2nc(cs2)N 271570a_200160469096_200015188442 [0,2,0,0,0,0|2,0,0]=4 4498 B17R2.522 CCC(C)c1ccccc1c2ncc(s2)C 271570a_200160469096_100000690809 [0,2,0,0,0,0|2,0,0]=4 4499 B17R2.522 CNC(=O)c1ccccc1c2cc(cs2)C 271570a_100000038307_100000155073 [0,2,0,0,0,0|0,0,1]=3 4500 B17R2.522 CNC(=O)c1ccccc1c2cc(cs2)C 271570a_100010369252_100009876951 [0,2,0,0,0,0|0,0,1]=3 4501 B17R2.522 CNC(=O)c1ccccc1c2cc(ns2)C 271570a_100010369252_100009815735 [0,2,0,0,0,0|1,0,1]=4 4502 B17R2.522 CNC(=O)c1ccccc1c2ccc(o2)C 271570a_100000061910_100000155073 [0,2,0,0,0,0|0,1,1]=4 4503 B17R2.522 CNC(=O)c1ccccc1c2ccc(s2)Br 271570a_100010369252_100010197418 [0,2,0,0,0,0|0,0,1]=3 4504 B17R2.522 CNC(=O)c1ccccc1c2ccc(s2)C 271570a_100010369252_100000761539 [0,2,0,0,0,0|0,0,1]=3 4505 B17R2.522 CNC(=O)c1ccccc1c2ccc(s2)C 271570a_100011934456_100000155073 [0,2,0,0,0,0|0,0,1]=3 4506 B17R2.522 CNC(=O)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000155073 [0,2,0,0,0,0|0,0,1]=3 4507 B17R2.522 CNC(=O)c1ccccc1c2cnc(s2)C 271570a_100000696845_100000155073 [0,2,0,0,0,0|1,0,1]=4 4508 B17R2.522 CNC(=O)c1ccccc1c2cnc(s2)C 271570a_100010369252_100000764884 [0,2,0,0,0,0|1,0,1]=4 4509 B17R2.522 CNC(=O)c1ccccc1c2nc(cs2)Br 271570a_100010369252_200016082925 [0,2,0,0,0,0|1,0,1]=4 4510 B17R2.522 CNC(=O)c1ccccc1c2nc(cs2)C 271570a_100010369252_100011291629 [0,2,0,0,0,0|1,0,1]=4 4511 B17R2.522 CNC(=O)c1ccccc1c2nc(cs2)N 271570a_100010369252_200015188442 [0,2,0,0,0,0|1,0,1]=4 4512 B17R2.522 CNC(=O)c1ccccc1c2ncc(s2)C 271570a_100010369252_100000690809 [0,2,0,0,0,0|1,0,1]=4 4513 B17R2.522 CNC(=O)c1cccnc1c2cc(cs2)C 271570a_100000038307_100000159833 [0,2,0,0,0,0|1,0,1]=4 4514 B17R2.522 CNC(=O)c1cccnc1c2ccc(s2)C 271570a_100011934456_100000159833 [0,2,0,0,0,0|1,0,1]=4 4515 B17R2.522 CNC(=O)c1cccnc1c2ccc(s2)Cl 271570a_100000708867_100000159833 [0,2,0,0,0,0|1,0,1]=4 4516 B17R2.522 CNC(C)c1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000692418 [0,2,0,0,0,0|1,0,1]=4 4517 B17R2.522 CNC(C)c1ccccc1c2cc([nH]n2)C 271570a_100009872134_100000692418 [0,2,0,0,0,0|2,0,0]=4 4518 B17R2.522 CNC(C)c1ccccc1c2cc(cs2)C 271570a_100000038307_100000692418 [0,2,0,0,0,0|0,0,0]=2 4519 B17R2.522 CNC(C)c1ccccc1c2ccc(o2)C 271570a_100000061910_100000692418 [0,2,0,0,0,0|0,1,0]=3 4520 B17R2.522 CNC(C)c1ccccc1c2ccc(s2)C 271570a_100011934456_100000692418 [0,2,0,0,0,0|0,0,0]=2 4521 B17R2.522 CNC(C)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000692418 [0,2,0,0,0,0|0,0,0]=2 4522 B17R2.522 CNC(C)c1ccccc1c2ccn(c2)C 271570a_100010172022_100000692418 [0,2,0,0,0,0|2,0,0]=4 4523 B17R2.522 CNC(C)c1ccccc1c2ccn(n2)C 271570a_100012348833_100000692418 [0,2,0,0,0,0|2,0,0]=4 4524 B17R2.522 CNC(C)c1ccccc1c2cnc(s2)C 271570a_100000696845_100000692418 [0,2,0,0,0,0|1,0,0]=3 4525 B17R2.522 CNC(C)c1ccccc1c2csc(c2)C 271570a_100000699828_100000692418 [0,2,0,0,0,0|2,0,0]=4 4526 B17R2.522 COC(=O)c1ccccc1c2cc(cs2)C 271570a_100000034818_100009876951 [0,2,0,0,0,0|1,0,1]=4 4527 B17R2.522 COC(=O)c1ccccc1c2cc(cs2)C 271570a_100000038307_100000148710 [0,2,0,0,0,0|1,0,1]=4 4528 B17R2.522 COC(=O)c1ccccc1c2ccc(s2)Br 271570a_100000034818_100010197418 [0,2,0,0,0,0|1,0,1]=4 4529 B17R2.522 COC(=O)c1ccccc1c2ccc(s2)C 271570a_100000034818_100000761539 [0,2,0,0,0,0|1,0,1]=4 4530 B17R2.522 COC(=O)c1ccccc1c2ccc(s2)C 271570a_100011934456_100000148710 [0,2,0,0,0,0|1,0,1]=4 4531 B17R2.522 COC(=O)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000148710 [0,2,0,0,0,0|1,0,1]=4 4532 B17R2.522 CO[C@@H](C)c1ncccc1c2cc(cs2)C 271570a_100000038307_106256553109 [0,2,0,0,0,0|2,0,0]=4 4533 B17R2.522 CO[C@@H](C)c1ncccc1c2ccc(s2)C 271570a_100011934456_106256553109 [0,2,0,0,0,0|2,0,0]=4 4534 B17R2.522 CO[C@@H](C)c1ncccc1c2ccc(s2)Cl 271570a_100000708867_106256553109 [0,2,0,0,0,0|2,0,0]=4 4535 B17R2.522 Cc1ccc(s1)c2ccccc2C(=O)NN 271570a_100011934456_100000190081 [0,2,0,0,0,0|1,0,1]=4 4536 B17R2.522 Cc1ccc(s1)c2ccccc2C(C)C#N 271570a_100011934456_200010232107 [0,2,0,0,0,0|2,0,0]=4 4537 B17R2.522 Cc1ccc(s1)c2ccccc2C(O)CN 271570a_100011934456_100011236429 [0,2,0,0,0,0|2,0,0]=4 4538 B17R2.522 Cc1ccc(s1)c2ccccc2[C@H](N)CO 271570a_100011934456_100161155918 [0,2,0,0,0,0|2,0,0]=4 4539 B17R2.522 Cc1csc(c1)c2ccccc2C(=O)NN 271570a_100000038307_100000190081 [0,2,0,0,0,0|1,0,1]=4 4540 B17R2.522 Cc1csc(c1)c2ccccc2C(C)C#N 271570a_100000038307_200010232107 [0,2,0,0,0,0|2,0,0]=4 4541 B17R2.522 Cc1csc(c1)c2ccccc2C(O)CN 271570a_100000038307_100011236429 [0,2,0,0,0,0|2,0,0]=4 4542 B17R2.522 Cc1csc(c1)c2ccccc2[C@H](N)CO 271570a_100000038307_100161155918 [0,2,0,0,0,0|2,0,0]=4 4543 B17R2.522 NCC(O)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_100011236429 [0,2,0,0,0,0|2,0,0]=4 4544 B17R2.522 NNC(=O)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000190081 [0,2,0,0,0,0|1,0,1]=4 4545 B17R2.522 N[C@H](CO)c1ccccc1c2ccc(s2)Cl 271570a_100000708867_100161155918 [0,2,0,0,0,0|2,0,0]=4 4546 B17R2.3239 CC(=O)Cc1ccccc1c2cc(cs2)C 271570a_100000038307_100011350739 [0,2,0,0,0,0|1,0,0]=3 4547 B17R2.3239 CC(=O)Cc1ccccc1c2ccc(o2)C 271570a_100000061910_100011350739 [0,2,0,0,0,0|1,1,0]=4 4548 B17R2.3239 CC(=O)Cc1ccccc1c2ccc(s2)C 271570a_100011934456_100011350739 [0,2,0,0,0,0|1,0,0]=3 4549 B17R2.3239 CC(=O)Cc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100011350739 [0,2,0,0,0,0|1,0,0]=3 4550 B17R2.3239 CC(=O)Cc1ccccc1c2cnc(s2)C 271570a_100000696845_100011350739 [0,2,0,0,0,0|2,0,0]=4 4551 B17R2.3239 CC(=O)Nc1ccccc1c2cc(cs2)C 271570a_100000038307_100000153524 [0,2,0,0,0,0|2,0,0]=4 4552 B17R2.3239 CC(=O)Nc1ccccc1c2cc(cs2)C 271570a_100000043321_100009876951 [0,2,0,0,0,0|2,0,0]=4 4553 B17R2.3239 CC(=O)Nc1ccccc1c2ccc(s2)Br 271570a_100000043321_100010197418 [0,2,0,0,0,0|2,0,0]=4 4554 B17R2.3239 CC(=O)Nc1ccccc1c2ccc(s2)C 271570a_100000043321_100000761539 [0,2,0,0,0,0|2,0,0]=4 4555 B17R2.3239 CC(=O)Nc1ccccc1c2ccc(s2)C 271570a_100011934456_100000153524 [0,2,0,0,0,0|2,0,0]=4 4556 B17R2.3239 CC(=O)Nc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000153524 [0,2,0,0,0,0|2,0,0]=4 4557 B17R2.3239 CC(=O)Oc1ccccc1c2cc(cs2)C 271570a_100000038307_100000051690 [0,2,0,0,0,0|2,0,0]=4 4558 B17R2.3239 CC(=O)Oc1ccccc1c2cc(cs2)C 271570a_200000040253_100009876951 [0,2,0,0,0,0|2,0,0]=4 4559 B17R2.3239 CC(=O)Oc1ccccc1c2ccc(s2)Br 271570a_200000040253_100010197418 [0,2,0,0,0,0|2,0,0]=4 4560 B17R2.3239 CC(=O)Oc1ccccc1c2ccc(s2)C 271570a_100011934456_100000051690 [0,2,0,0,0,0|2,0,0]=4 4561 B17R2.3239 CC(=O)Oc1ccccc1c2ccc(s2)C 271570a_200000040253_100000761539 [0,2,0,0,0,0|2,0,0]=4 4562 B17R2.3239 CC(=O)Oc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000051690 [0,2,0,0,0,0|2,0,0]=4 4563 B17R2.3239 CC(C)Cc1ccccc1c2nc(cs2)Br 271570a_200010047045_200016082925 [0,2,0,0,0,0|2,0,0]=4 4564 B17R2.3239 CC(C)Cc1ccccc1c2nc(cs2)N 271570a_200010047045_200015188442 [0,2,0,0,0,0|2,0,0]=4 4565 B17R2.3239 CC(C)Nc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000219599 [0,2,0,0,0,0|2,0,0]=4 4566 B17R2.3239 CC(C)Oc1ccccc1c2ccc(s2)Br 271570a_100011263023_100010197418 [0,2,0,0,0,0|2,0,0]=4 4567 B17R2.3239 CC(C)Oc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000173919 [0,2,0,0,0,0|2,0,0]=4 4568 B17R2.3239 CN(C)Cc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000174758 [0,2,0,0,0,0|1,0,1]=4 4569 B17R2.3239 CN(C)Cc1ccccc1c2cc([nH]n2)N 271570a_100012356114_100009822546 [0,2,0,0,0,0|2,0,0]=4 4570 B17R2.3239 CN(C)Cc1ccccc1c2cc(n[nH]2)Br 271570a_100012356114_100160470719 [0,2,0,0,0,0|2,0,0]=4 4571 B17R2.3239 CN(C)Cc1ccccc1c2ccc(s2)Br 271570a_100012356114_100010197418 [0,2,0,0,0,0|0,0,0]=2 4572 B17R2.3239 CN(C)Cc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000174758 [0,2,0,0,0,0|0,0,0]=2 4573 B17R2.3239 CN(C)Cc1ccccc1c2ccn(c2)C 271570a_100010172022_100000174758 [0,2,0,0,0,0|2,0,0]=4 4574 B17R2.3239 CN(C)Cc1ccccc1c2ccn(n2)C 271570a_100012348833_100000174758 [0,2,0,0,0,0|2,0,0]=4 4575 B17R2.3239 CN(C)Cc1ccccc1c2ccn(n2)C 271570a_100012356114_100000752436 [0,2,0,0,0,0|2,0,0]=4 4576 B17R2.3239 CN(C)Cc1ccccc1c2cn(cn2)C 271570a_100012356114_100000040308 [0,2,0,0,0,0|2,0,0]=4 4577 B17R2.3239 CN(C)Cc1ccccc1c2csc(n2)N 271570a_100012356114_100011998049 [0,2,0,0,0,0|2,0,0]=4 4578 B17R2.3239 CN(C)Cc1ccccc1c2nc(cs2)Br 271570a_100012356114_200016082925 [0,2,0,0,0,0|1,0,0]=3 4579 B17R2.3239 CN(C)Cc1ccccc1c2nc(cs2)N 271570a_100012356114_200015188442 [0,2,0,0,0,0|1,0,0]=3 4580 B17R2.3239 CN(C)Cc1ccccc1c2nnc(s2)N 271570a_100012356114_100000738278 [0,2,0,0,0,0|2,0,0]=4 4581 B17R2.3239 Cc1c[nH]c(n1)c2ccccc2CN(C)C 271570a_100012356114_100161115468 [0,2,0,0,0,0|2,0,0]=4 4582 B17R2.3239 Cc1cc(cs1)c2ccccc2CN(C)C 271570a_100000699828_100000174758 [0,2,0,0,0,0|2,0,0]=4 4583 B17R2.3239 Cc1cc(cs1)c2ccccc2CN(C)C 271570a_100012356114_100000759034 [0,2,0,0,0,0|2,0,0]=4 4584 B17R2.3239 Cc1cc(n[nH]1)c2ccccc2CN(C)C 271570a_100009872134_100000174758 [0,2,0,0,0,0|2,0,0]=4 4585 B17R2.3239 Cc1cc(n[nH]1)c2ccccc2CN(C)C 271570a_100012356114_100015199547 [0,2,0,0,0,0|2,0,0]=4 4586 B17R2.3239 Cc1cc(sn1)c2ccccc2CC(C)C 271570a_200010047045_100009815735 [0,2,0,0,0,0|2,0,0]=4 4587 B17R2.3239 Cc1cc(sn1)c2ccccc2CN(C)C 271570a_100012356114_100009815735 [0,2,0,0,0,0|1,0,0]=3 4588 B17R2.3239 Cc1ccc(o1)c2ccccc2CN(C)C 270004a_100102631434_200000035963 [0,2,0,0,0,0|0,1,0]=3 4589 B17R2.3239 Cc1ccc(o1)c2ccccc2CN(C)C 271570a_100000061910_100000174758 [0,2,0,0,0,0|0,1,0]=3 4590 B17R2.3239 Cc1ccc(s1)c2ccccc2CC(=O)N 271570a_100011934456_200009814924 [0,2,0,0,0,0|2,0,0]=4 4591 B17R2.3239 Cc1ccc(s1)c2ccccc2CC(=O)O 271570a_200010239615_100000761539 [0,2,0,0,0,0|2,0,0]=4 4592 B17R2.3239 Cc1ccc(s1)c2ccccc2CC(C)C 271570a_200010047045_100000761539 [0,2,0,0,0,0|1,0,0]=3 4593 B17R2.3239 Cc1ccc(s1)c2ccccc2CN(C)C 271570a_100011934456_100000174758 [0,2,0,0,0,0|0,0,0]=2 4594 B17R2.3239 Cc1ccc(s1)c2ccccc2CN(C)C 271570a_100012356114_100000761539 [0,2,0,0,0,0|0,0,0]=2 4595 B17R2.3239 Cc1ccc(s1)c2ccccc2NC(C)C 271570a_100011934456_100000219599 [0,2,0,0,0,0|2,0,0]=4 4596 B17R2.3239 Cc1ccc(s1)c2ccccc2OC(C)C 271570a_100011263023_100000761539 [0,2,0,0,0,0|2,0,0]=4 4597 B17R2.3239 Cc1ccc(s1)c2ccccc2OC(C)C 271570a_100011934456_100000173919 [0,2,0,0,0,0|2,0,0]=4 4598 B17R2.3239 Cc1cnc(s1)c2ccccc2CC(C)C 271570a_200010047045_100000690809 [0,2,0,0,0,0|2,0,0]=4 4599 B17R2.3239 Cc1cnc(s1)c2ccccc2CN(C)C 271570a_100012356114_100000690809 [0,2,0,0,0,0|1,0,0]=3 4600 B17R2.3239 Cc1csc(c1)c2ccccc2CC(=O)N 271570a_100000038307_200009814924 [0,2,0,0,0,0|2,0,0]=4 4601 B17R2.3239 Cc1csc(c1)c2ccccc2CC(=O)O 271570a_200010239615_100009876951 [0,2,0,0,0,0|2,0,0]=4 4602 B17R2.3239 Cc1csc(c1)c2ccccc2CC(C)C 271570a_200010047045_100009876951 [0,2,0,0,0,0|1,0,0]=3 4603 B17R2.3239 Cc1csc(c1)c2ccccc2CN(C)C 271570a_100000038307_100000174758 [0,2,0,0,0,0|0,0,0]=2 4604 B17R2.3239 Cc1csc(c1)c2ccccc2CN(C)C 271570a_100012356114_100009876951 [0,2,0,0,0,0|0,0,0]=2 4605 B17R2.3239 Cc1csc(c1)c2ccccc2NC(C)C 271570a_100000038307_100000219599 [0,2,0,0,0,0|2,0,0]=4 4606 B17R2.3239 Cc1csc(c1)c2ccccc2OC(C)C 271570a_100000038307_100000173919 [0,2,0,0,0,0|2,0,0]=4 4607 B17R2.3239 Cc1csc(c1)c2ccccc2OC(C)C 271570a_100011263023_100009876951 [0,2,0,0,0,0|2,0,0]=4 4608 B17R2.3239 Cc1csc(n1)c2ccccc2CC(C)C 271570a_200010047045_100011291629 [0,2,0,0,0,0|2,0,0]=4 4609 B17R2.3239 Cc1csc(n1)c2ccccc2CN(C)C 271570a_100012356114_100011291629 [0,2,0,0,0,0|1,0,0]=3 4610 B17R2.3239 Cc1nc(c[nH]1)c2ccccc2CN(C)C 271570a_100012356114_100009814057 [0,2,0,0,0,0|2,0,0]=4 4611 B17R2.3239 Cc1nc(cs1)c2ccccc2CN(C)C 271570a_100012356114_100011934587 [0,2,0,0,0,0|2,0,0]=4 4612 B17R2.3239 Cc1ncc(s1)c2ccccc2CC(C)C 271570a_200010047045_100000764884 [0,2,0,0,0,0|2,0,0]=4 4613 B17R2.3239 Cc1ncc(s1)c2ccccc2CN(C)C 271570a_100000696845_100000174758 [0,2,0,0,0,0|1,0,0]=3 4614 B17R2.3239 Cc1ncc(s1)c2ccccc2CN(C)C 271570a_100012356114_100000764884 [0,2,0,0,0,0|1,0,0]=3 4615 B17R2.3239 Cc1nnc(s1)c2ccccc2CN(C)C 271570a_100012356114_100000686958 [0,2,0,0,0,0|2,0,0]=4 4616 B17R2.3239 Cc1nsc(n1)c2ccccc2CN(C)C 271570a_100012356114_100000709739 [0,2,0,0,0,0|2,0,0]=4 4617 B17R2.3239 NC(=O)Cc1ccccc1c2ccc(s2)Cl 271570a_100000708867_200009814924 [0,2,0,0,0,0|2,0,0]=4 4618 B17R2.3239 O=C(O)Cc1ccccc1c2ccc(s2)Br 271570a_200010239615_100010197418 [0,2,0,0,0,0|2,0,0]=4 4619 B17R2.4285 C=CCc1ccccc1c2cc(c(s2)C)C 271570a_200010742005_100009850898 [0,2,0,0,0,0|1,0,1]=4 4620 B17R2.4285 CCNc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_114873767003 [0,2,0,0,0,0|2,0,0]=4 4621 B17R2.4285 CCOc1ccccc1c2cc(c(s2)C)C 271570a_100011217569_100009850898 [0,2,0,0,0,0|2,0,0]=4 4622 B17R2.4285 CCOc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_100000230754 [0,2,0,0,0,0|2,0,0]=4 4623 B17R2.4285 CNCc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_100000184654 [0,2,0,0,0,0|0,0,0]=2 4624 B17R2.4285 CNCc1cccnc1c2cc(c(s2)Cl)C 271570a_202125692827_103496529121 [0,2,0,0,0,0|1,0,0]=3 4625 B17R2.4285 COCc1ccccc1c2cc(c(s2)C)C 271570a_100011216666_100009850898 [0,2,0,0,0,0|1,0,0]=3 4626 B17R2.4285 COCc1ccccc1c2cc(c(s2)Cl)C 271570a_202125692827_100011493684 [0,2,0,0,0,0|1,0,0]=3 4627 B17R2.4285 COCc1ccccc1c2nc(c(s2)C)C 271570a_100011216666_100000765934 [0,2,0,0,0,0|2,0,0]=4 4628 B17R2.4285 Cc1cc(sc1C)c2ccccc2CC#N 271570a_100000066961_100009850898 [0,2,0,0,0,0|2,0,0]=4 4629 B17R2.4285 Cc1cc(sc1Cl)c2ccccc2CC#N 271570a_202125692827_100000033512 [0,2,0,0,0,0|2,0,0]=4 4630 B17R2.4285 Cc1cc(sc1Cl)c2ccccc2CCN 271570a_202125692827_100000747383 [0,2,0,0,0,0|2,0,0]=4 4631 B17R2.4285 Cc1cc(sc1Cl)c2ccccc2CCO 271570a_202125692827_100000731337 [0,2,0,0,0,0|2,0,0]=4 4632 B17R2.4285 Cc1cc(sc1Cl)c2ccccc2CNN 271570a_202125692827_200016993956 [0,2,0,0,0,0|1,0,0]=3 4633 B17R2.4287 C=CCc1ccccc1c2cc(cs2)C=O 271570a_200010742005_100000737087 [0,2,0,0,0,0|1,0,1]=4 4634 B17R2.4287 C=CCc1ccccc1c2cc(cs2)CC 271570a_100009871738_100009828059 [0,2,0,0,0,0|1,0,1]=4 4635 B17R2.4287 C=CCc1ccccc1c2cc(cs2)OC 271570a_100010068968_100009828059 [0,2,0,0,0,0|1,0,1]=4 4636 B17R2.4287 C=CCc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100009828059 [0,2,0,0,0,0|1,0,1]=4 4637 B17R2.4287 C=CCc1ccccc1c2ccc(s2)C#N 271570a_200010742005_100000737243 [0,2,0,0,0,0|1,0,1]=4 4638 B17R2.4287 C=CCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100009828059 [0,2,0,0,0,0|1,0,1]=4 4639 B17R2.4287 C=CCc1ccccc1c2ccc(s2)C=O 271570a_200010742005_100000179771 [0,2,0,0,0,0|1,0,1]=4 4640 B17R2.4287 C=CCc1ccccc1c2ccc(s2)CC 271570a_200010742005_100009844052 [0,2,0,0,0,0|1,0,1]=4 4641 B17R2.4287 C=CCc1ccccc1c2ccc(s2)CN 271570a_200010742005_100000737305 [0,2,0,0,0,0|1,0,1]=4 4642 B17R2.4287 C=CCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100009828059 [0,2,0,0,0,0|1,0,1]=4 4643 B17R2.4287 C=CCc1ccccc1c2ccc(s2)CO 271570a_200010742005_100000246291 [0,2,0,0,0,0|1,0,1]=4 4644 B17R2.4287 CCNc1ccccc1c2cc(cs2)CC 271570a_100009871738_114873767003 [0,2,0,0,0,0|2,0,0]=4 4645 B17R2.4287 CCNc1ccccc1c2cc(cs2)OC 271570a_100010068968_114873767003 [0,2,0,0,0,0|2,0,0]=4 4646 B17R2.4287 CCNc1ccccc1c2ccc(s2)C#N 271570a_100000035585_114873767003 [0,2,0,0,0,0|2,0,0]=4 4647 B17R2.4287 CCNc1ccccc1c2ccc(s2)C=O 271570a_100000033420_114873767003 [0,2,0,0,0,0|2,0,0]=4 4648 B17R2.4287 CCNc1ccccc1c2ccc(s2)CO 271570a_100010143978_114873767003 [0,2,0,0,0,0|2,0,0]=4 4649 B17R2.4287 CCOc1ccccc1c2cc(cs2)C=O 271570a_100011217569_100000737087 [0,2,0,0,0,0|2,0,0]=4 4650 B17R2.4287 CCOc1ccccc1c2cc(cs2)CC 271570a_100009871738_100000230754 [0,2,0,0,0,0|2,0,0]=4 4651 B17R2.4287 CCOc1ccccc1c2cc(cs2)OC 271570a_100010068968_100000230754 [0,2,0,0,0,0|2,0,0]=4 4652 B17R2.4287 CCOc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100000230754 [0,2,0,0,0,0|2,0,0]=4 4653 B17R2.4287 CCOc1ccccc1c2ccc(s2)C#N 271570a_100011217569_100000737243 [0,2,0,0,0,0|2,0,0]=4 4654 B17R2.4287 CCOc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100000230754 [0,2,0,0,0,0|2,0,0]=4 4655 B17R2.4287 CCOc1ccccc1c2ccc(s2)C=O 271570a_100011217569_100000179771 [0,2,0,0,0,0|2,0,0]=4 4656 B17R2.4287 CCOc1ccccc1c2ccc(s2)CC 271570a_100011217569_100009844052 [0,2,0,0,0,0|2,0,0]=4 4657 B17R2.4287 CCOc1ccccc1c2ccc(s2)CN 271570a_100011217569_100000737305 [0,2,0,0,0,0|2,0,0]=4 4658 B17R2.4287 CCOc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000230754 [0,2,0,0,0,0|2,0,0]=4 4659 B17R2.4287 CCOc1ccccc1c2ccc(s2)CO 271570a_100011217569_100000246291 [0,2,0,0,0,0|2,0,0]=4 4660 B17R2.4287 CCSc1ccccc1c2cc(cs2)C=O 271570a_200000040582_100000737087 [0,2,0,0,0,0|2,0,0]=4 4661 B17R2.4287 CCSc1ccccc1c2cc(cs2)OC 271570a_100010068968_100000230856 [0,2,0,0,0,0|2,0,0]=4 4662 B17R2.4287 CCSc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100000230856 [0,2,0,0,0,0|2,0,0]=4 4663 B17R2.4287 CCSc1ccccc1c2ccc(s2)C#N 271570a_200000040582_100000737243 [0,2,0,0,0,0|2,0,0]=4 4664 B17R2.4287 CCSc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100000230856 [0,2,0,0,0,0|2,0,0]=4 4665 B17R2.4287 CCSc1ccccc1c2ccc(s2)C=O 271570a_200000040582_100000179771 [0,2,0,0,0,0|2,0,0]=4 4666 B17R2.4287 CCSc1ccccc1c2ccc(s2)CN 271570a_200000040582_100000737305 [0,2,0,0,0,0|2,0,0]=4 4667 B17R2.4287 CCSc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000230856 [0,2,0,0,0,0|2,0,0]=4 4668 B17R2.4287 CCSc1ccccc1c2ccc(s2)CO 271570a_200000040582_100000246291 [0,2,0,0,0,0|2,0,0]=4 4669 B17R2.4287 CCc1ccc(s1)c2ccccc2CC#N 271570a_100000066961_100009844052 [0,2,0,0,0,0|2,0,0]=4 4670 B17R2.4287 CCc1ccc(s1)c2ccccc2COC 271570a_100011216666_100009844052 [0,2,0,0,0,0|1,0,0]=3 4671 B17R2.4287 CCc1csc(c1)c2ccccc2CC#N 271570a_100009871738_100000033512 [0,2,0,0,0,0|2,0,0]=4 4672 B17R2.4287 CCc1csc(c1)c2ccccc2CCN 271570a_100009871738_100000747383 [0,2,0,0,0,0|2,0,0]=4 4673 B17R2.4287 CCc1csc(c1)c2ccccc2CCO 271570a_100009871738_100000731337 [0,2,0,0,0,0|2,0,0]=4 4674 B17R2.4287 CCc1csc(c1)c2ccccc2CNC 271570a_100009871738_100000184654 [0,2,0,0,0,0|0,0,0]=2 4675 B17R2.4287 CCc1csc(c1)c2ccccc2CNN 271570a_100009871738_200016993956 [0,2,0,0,0,0|1,0,0]=3 4676 B17R2.4287 CCc1csc(c1)c2ccccc2COC 271570a_100009871738_100011493684 [0,2,0,0,0,0|1,0,0]=3 4677 B17R2.4287 CCc1csc(c1)c2ccccc2CSC 271570a_100009871738_100000148299 [0,2,0,0,0,0|1,0,0]=3 4678 B17R2.4287 CCc1csc(c1)c2ncccc2CNC 271570a_100009871738_103496529121 [0,2,0,0,0,0|1,0,0]=3 4679 B17R2.4287 CNCc1ccccc1c2cc(co2)C=O 271570a_200000066965_100000184654 [0,2,0,0,0,0|0,1,0]=3 4680 B17R2.4287 CNCc1ccccc1c2cc(cs2)OC 271570a_100010068968_100000184654 [0,2,0,0,0,0|0,0,0]=2 4681 B17R2.4287 CNCc1ccccc1c2ccc(o2)C=O 271570a_100000034841_100000184654 [0,2,0,0,0,0|0,1,0]=3 4682 B17R2.4287 CNCc1ccccc1c2ccc(o2)CO 271570a_200000079978_100000184654 [0,2,0,0,0,0|0,1,0]=3 4683 B17R2.4287 CNCc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100000184654 [0,2,0,0,0,0|0,0,0]=2 4684 B17R2.4287 CNCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100000184654 [0,2,0,0,0,0|0,0,0]=2 4685 B17R2.4287 CNCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000184654 [0,2,0,0,0,0|0,0,0]=2 4686 B17R2.4287 CNCc1ccccc1c2coc(c2)C=O 271570a_100000068347_100000184654 [0,2,0,0,0,0|2,0,0]=4 4687 B17R2.4287 CNCc1ccccc1c2csc(c2)C=O 271570a_100000067010_100000184654 [0,2,0,0,0,0|2,0,0]=4 4688 B17R2.4287 CNCc1ccccc1c2csc(c2)CO 271570a_100010198488_100000184654 [0,2,0,0,0,0|2,0,0]=4 4689 B17R2.4287 CNCc1cccnc1c2cc(co2)C=O 271570a_200000066965_103496529121 [0,2,0,0,0,0|1,1,0]=4 4690 B17R2.4287 CNCc1cccnc1c2cc(cs2)OC 271570a_100010068968_103496529121 [0,2,0,0,0,0|1,0,0]=3 4691 B17R2.4287 CNCc1cccnc1c2ccc(o2)C=O 271570a_100000034841_103496529121 [0,2,0,0,0,0|1,1,0]=4 4692 B17R2.4287 CNCc1cccnc1c2ccc(o2)CO 271570a_200000079978_103496529121 [0,2,0,0,0,0|1,1,0]=4 4693 B17R2.4287 CNCc1cccnc1c2ccc(s2)C#N 271570a_100000035585_103496529121 [0,2,0,0,0,0|1,0,0]=3 4694 B17R2.4287 CNCc1cccnc1c2ccc(s2)C=O 271570a_100000033420_103496529121 [0,2,0,0,0,0|1,0,0]=3 4695 B17R2.4287 CNCc1cccnc1c2ccc(s2)CO 271570a_100010143978_103496529121 [0,2,0,0,0,0|1,0,0]=3 4696 B17R2.4287 COCc1ccccc1c2cc(c[nH]2)C=O 271570a_100011216666_100009882863 [0,2,0,0,0,0|2,0,0]=4 4697 B17R2.4287 COCc1ccccc1c2cc(co2)C=O 271570a_200000066965_100011493684 [0,2,0,0,0,0|1,1,0]=4 4698 B17R2.4287 COCc1ccccc1c2cc(cs2)C=O 271570a_100011216666_100000737087 [0,2,0,0,0,0|1,0,0]=3 4699 B17R2.4287 COCc1ccccc1c2cc(cs2)OC 271570a_100010068968_100011493684 [0,2,0,0,0,0|1,0,0]=3 4700 B17R2.4287 COCc1ccccc1c2ccc(o2)C#N 271570a_100011216666_100000764468 [0,2,0,0,0,0|1,1,0]=4 4701 B17R2.4287 COCc1ccccc1c2ccc(o2)C=O 271570a_100000034841_100011493684 [0,2,0,0,0,0|1,1,0]=4 4702 B17R2.4287 COCc1ccccc1c2ccc(o2)C=O 271570a_100011216666_100000185145 [0,2,0,0,0,0|1,1,0]=4 4703 B17R2.4287 COCc1ccccc1c2ccc(o2)CN 271570a_100011216666_100000708654 [0,2,0,0,0,0|1,1,0]=4 4704 B17R2.4287 COCc1ccccc1c2ccc(o2)CO 271570a_100011216666_100000246276 [0,2,0,0,0,0|1,1,0]=4 4705 B17R2.4287 COCc1ccccc1c2ccc(o2)CO 271570a_200000079978_100011493684 [0,2,0,0,0,0|1,1,0]=4 4706 B17R2.4287 COCc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100011493684 [0,2,0,0,0,0|1,0,0]=3 4707 B17R2.4287 COCc1ccccc1c2ccc(s2)C#N 271570a_100011216666_100000737243 [0,2,0,0,0,0|1,0,0]=3 4708 B17R2.4287 COCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100011493684 [0,2,0,0,0,0|1,0,0]=3 4709 B17R2.4287 COCc1ccccc1c2ccc(s2)C=O 271570a_100011216666_100000179771 [0,2,0,0,0,0|1,0,0]=3 4710 B17R2.4287 COCc1ccccc1c2ccc(s2)CN 271570a_100011216666_100000737305 [0,2,0,0,0,0|1,0,0]=3 4711 B17R2.4287 COCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100011493684 [0,2,0,0,0,0|1,0,0]=3 4712 B17R2.4287 COCc1ccccc1c2ccc(s2)CO 271570a_100011216666_100000246291 [0,2,0,0,0,0|1,0,0]=3 4713 B17R2.4287 COCc1ccccc1c2cnc(s2)C=O 271570a_100011216666_100000699580 [0,2,0,0,0,0|2,0,0]=4 4714 B17R2.4287 COCc1ccccc1c2cnc(s2)CN 271570a_100011216666_100016991807 [0,2,0,0,0,0|2,0,0]=4 4715 B17R2.4287 COCc1ccccc1c2cnc(s2)CO 271570a_100011216666_100000696694 [0,2,0,0,0,0|2,0,0]=4 4716 B17R2.4287 COCc1ccccc1c2cnc(s2)OC 271570a_100011216666_100000729428 [0,2,0,0,0,0|2,0,0]=4 4717 B17R2.4287 COCc1ccccc1c2nc(cs2)C#N 271570a_100011216666_100009819631 [0,2,0,0,0,0|2,0,0]=4 4718 B17R2.4287 COCc1ccccc1c2nc(cs2)C=O 271570a_100011216666_100009816748 [0,2,0,0,0,0|2,0,0]=4 4719 B17R2.4287 COCc1ccccc1c2nc(cs2)CO 271570a_100011216666_100009816749 [0,2,0,0,0,0|2,0,0]=4 4720 B17R2.4287 COCc1ccccc1c2ncc(s2)C#N 271570a_100011216666_100009819632 [0,2,0,0,0,0|2,0,0]=4 4721 B17R2.4287 COCc1ccccc1c2ncc(s2)C=O 271570a_100011216666_100009814069 [0,2,0,0,0,0|2,0,0]=4 4722 B17R2.4287 COCc1ccccc1c2ncc(s2)CN 271570a_100011216666_100000726991 [0,2,0,0,0,0|2,0,0]=4 4723 B17R2.4287 COCc1ccccc1c2ncc(s2)CO 271570a_100011216666_100009816753 [0,2,0,0,0,0|2,0,0]=4 4724 B17R2.4287 COc1csc(c1)c2ccccc2CC#N 271570a_100010068968_100000033512 [0,2,0,0,0,0|2,0,0]=4 4725 B17R2.4287 COc1csc(c1)c2ccccc2CCN 271570a_100010068968_100000747383 [0,2,0,0,0,0|2,0,0]=4 4726 B17R2.4287 COc1csc(c1)c2ccccc2CCO 271570a_100010068968_100000731337 [0,2,0,0,0,0|2,0,0]=4 4727 B17R2.4287 COc1csc(c1)c2ccccc2CNN 271570a_100010068968_200016993956 [0,2,0,0,0,0|1,0,0]=3 4728 B17R2.4287 COc1csc(c1)c2ccccc2CSC 271570a_100010068968_100000148299 [0,2,0,0,0,0|1,0,0]=3 4729 B17R2.4287 CSCc1ccccc1c2cc(co2)C=O 271570a_200000066965_100000148299 [0,2,0,0,0,0|1,1,0]=4 4730 B17R2.4287 CSCc1ccccc1c2ccc(o2)C=O 271570a_100000034841_100000148299 [0,2,0,0,0,0|1,1,0]=4 4731 B17R2.4287 CSCc1ccccc1c2ccc(o2)CO 271570a_200000079978_100000148299 [0,2,0,0,0,0|1,1,0]=4 4732 B17R2.4287 CSCc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100000148299 [0,2,0,0,0,0|1,0,0]=3 4733 B17R2.4287 CSCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100000148299 [0,2,0,0,0,0|1,0,0]=3 4734 B17R2.4287 CSCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000148299 [0,2,0,0,0,0|1,0,0]=3 4735 B17R2.4287 N#CCc1ccccc1c2cc(cs2)C=O 271570a_100000066961_100000737087 [0,2,0,0,0,0|2,0,0]=4 4736 B17R2.4287 N#CCc1ccccc1c2ccc(s2)C#N 271570a_100000035585_100000033512 [0,2,0,0,0,0|2,0,0]=4 4737 B17R2.4287 N#CCc1ccccc1c2ccc(s2)C#N 271570a_100000066961_100000737243 [0,2,0,0,0,0|2,0,0]=4 4738 B17R2.4287 N#CCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100000033512 [0,2,0,0,0,0|2,0,0]=4 4739 B17R2.4287 N#CCc1ccccc1c2ccc(s2)C=O 271570a_100000066961_100000179771 [0,2,0,0,0,0|2,0,0]=4 4740 B17R2.4287 N#CCc1ccccc1c2ccc(s2)CN 271570a_100000066961_100000737305 [0,2,0,0,0,0|2,0,0]=4 4741 B17R2.4287 N#CCc1ccccc1c2ccc(s2)CO 271570a_100000066961_100000246291 [0,2,0,0,0,0|2,0,0]=4 4742 B17R2.4287 N#CCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000033512 [0,2,0,0,0,0|2,0,0]=4 4743 B17R2.4287 N#Cc1ccc(s1)c2ccccc2CCN 271570a_100000035585_100000747383 [0,2,0,0,0,0|2,0,0]=4 4744 B17R2.4287 N#Cc1ccc(s1)c2ccccc2CCO 271570a_100000035585_100000731337 [0,2,0,0,0,0|2,0,0]=4 4745 B17R2.4287 N#Cc1ccc(s1)c2ccccc2CNN 271570a_100000035585_200016993956 [0,2,0,0,0,0|1,0,0]=3 4746 B17R2.4287 NCCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_100000747383 [0,2,0,0,0,0|2,0,0]=4 4747 B17R2.4287 NCCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000747383 [0,2,0,0,0,0|2,0,0]=4 4748 B17R2.4287 NNCc1ccccc1c2cc(co2)C=O 271570a_200000066965_200016993956 [0,2,0,0,0,0|1,1,0]=4 4749 B17R2.4287 NNCc1ccccc1c2ccc(o2)C=O 271570a_100000034841_200016993956 [0,2,0,0,0,0|1,1,0]=4 4750 B17R2.4287 NNCc1ccccc1c2ccc(o2)CO 271570a_200000079978_200016993956 [0,2,0,0,0,0|1,1,0]=4 4751 B17R2.4287 NNCc1ccccc1c2ccc(s2)C=O 271570a_100000033420_200016993956 [0,2,0,0,0,0|1,0,0]=3 4752 B17R2.4287 NNCc1ccccc1c2ccc(s2)CO 271570a_100010143978_200016993956 [0,2,0,0,0,0|1,0,0]=3 4753 B17R2.4287 O=Cc1ccc(s1)c2ccccc2CCO 271570a_100000033420_100000731337 [0,2,0,0,0,0|2,0,0]=4 4754 B17R2.4287 OCCc1ccccc1c2ccc(s2)CO 271570a_100010143978_100000731337 [0,2,0,0,0,0|2,0,0]=4 4755 B17R2.4289 C=CCc1ccccc1c2sc(cc2C)C 271570a_200010742005_100000689295 [0,2,0,0,0,0|1,0,1]=4 4756 B17R2.4289 CCOc1ccccc1c2sc(cc2C)C 271570a_100011217569_100000689295 [0,2,0,0,0,0|2,0,0]=4 4757 B17R2.4289 CNCc1ccccc1c2cc(nn2C)C 271570a_100010162543_100000184654 [0,2,0,0,0,0|2,0,0]=4 4758 B17R2.4289 CNCc1ccccc1c2cc(sc2C)C 271570a_100010068963_100000184654 [0,2,0,0,0,0|2,0,0]=4 4759 B17R2.4289 CNCc1ccccc1c2cc(sc2Cl)Cl 271570a_100000094514_100000184654 [0,2,0,0,0,0|2,0,0]=4 4760 B17R2.4289 CNCc1ccccc1c2sc(nc2C)C 271570a_100000068875_100000184654 [0,2,0,0,0,0|1,0,0]=3 4761 B17R2.4289 CNCc1ccccc1n2nc(cc2C)C 2230a_106832991635_200015183794 [0,2,0,0,0,0|2,0,0]=4 4762 B17R2.4289 CNCc1ccccc1n2nc(cc2C)C 26a_100102657272_200012071927 [0,2,0,0,0,0|2,0,0]=4 4763 B17R2.4289 CNCc1ccccc1n2nc(cc2C)C 34a_100000688167_200000210301 [0,2,0,0,0,0|2,0,0]=4 4764 B17R2.4289 CNCc1ccccc1n2nc(cc2C)C 34a_100102657272_200015183794 [0,2,0,0,0,0|2,0,0]=4 4765 B17R2.4289 CNCc1ccccc1n2nc(cc2C)C 7a_106832991635_200015183794 [0,2,0,0,0,0|2,0,0]=4 4766 B17R2.4289 CNCc1cccnc1c2sc(nc2C)C 271570a_100000068875_103496529121 [0,2,0,0,0,0|2,0,0]=4 4767 B17R2.4289 COCc1ccccc1c2sc(cc2C)C 271570a_100011216666_100000689295 [0,2,0,0,0,0|1,0,0]=3 4768 B17R2.4289 COCc1ccccc1c2sc(nc2C)C 271570a_100000068875_100011493684 [0,2,0,0,0,0|2,0,0]=4 4769 B17R2.4289 COCc1ccccc1c2sc(nc2C)C 271570a_100011216666_100009814099 [0,2,0,0,0,0|2,0,0]=4 4770 B17R2.4289 CSCc1ccccc1c2sc(nc2C)C 271570a_100000068875_100000148299 [0,2,0,0,0,0|2,0,0]=4 4771 B17R2.4289 Cc1cc(c(s1)c2ccccc2CC#N)C 271570a_100000066961_100000689295 [0,2,0,0,0,0|2,0,0]=4 4772 B17R2.4289 Cc1cc(n(n1)c2ccccc2CN[13CH3])C 34a_100000688167_200025704644 [0,2,0,0,0,0|2,0,0]=4 4773 B17R2.4289 Cc1nc(c(s1)c2ccccc2CNN)C 271570a_100000068875_200016993956 [0,2,0,0,0,0|2,0,0]=4 4774 B17R2.5756 CCOc1cc(ccc1c2cc(cs2)C)Br 271570a_200010295860_100009876951 [0,2,0,0,0,0|2,0,0]=4 4775 B17R2.5756 CCOc1cc(ccc1c2cc(cs2)C)C 271570a_100000038307_200010713166 [0,2,0,0,0,0|2,0,0]=4 4776 B17R2.5756 CCOc1cc(ccc1c2cc(cs2)C)Cl 271570a_100000041748_100009876951 [0,2,0,0,0,0|2,0,0]=4 4777 B17R2.5756 CCOc1cc(ccc1c2cc(cs2)C)F 271570a_100000038307_200012340411 [0,2,0,0,0,0|2,0,0]=4 4778 B17R2.5756 CCOc1cc(ccc1c2cc(cs2)C)F 271570a_100011356802_100009876951 [0,2,0,0,0,0|2,0,0]=4 4779 B17R2.5756 CCOc1cc(ccc1c2cc(cs2)C)N 271570a_100000038307_200016990551 [0,2,0,0,0,0|2,0,0]=4 4780 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)Br)F 271570a_100011356802_100010197418 [0,2,0,0,0,0|2,0,0]=4 4781 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)C)Br 271570a_200010295860_100000761539 [0,2,0,0,0,0|2,0,0]=4 4782 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)C)C 271570a_100011934456_200010713166 [0,2,0,0,0,0|2,0,0]=4 4783 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)C)Cl 271570a_100000041748_100000761539 [0,2,0,0,0,0|2,0,0]=4 4784 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)C)F 271570a_100011356802_100000761539 [0,2,0,0,0,0|2,0,0]=4 4785 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)C)F 271570a_100011934456_200012340411 [0,2,0,0,0,0|2,0,0]=4 4786 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)C)N 271570a_100011934456_200016990551 [0,2,0,0,0,0|2,0,0]=4 4787 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)Cl)C 271570a_100000708867_200010713166 [0,2,0,0,0,0|2,0,0]=4 4788 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)Cl)F 271570a_100000708867_200012340411 [0,2,0,0,0,0|2,0,0]=4 4789 B17R2.5756 CCOc1cc(ccc1c2ccc(s2)Cl)N 271570a_100000708867_200016990551 [0,2,0,0,0,0|2,0,0]=4 4790 B17R2.5756 COCc1cc(ccc1c2cc(cs2)C)F 271570a_200010042602_100009876951 [0,2,0,0,0,0|1,0,0]=3 4791 B17R2.5756 COCc1cc(ccc1c2cc(ns2)C)F 271570a_200010042602_100009815735 [0,2,0,0,0,0|2,0,0]=4 4792 B17R2.5756 COCc1cc(ccc1c2ccc(s2)Br)F 271570a_200010042602_100010197418 [0,2,0,0,0,0|1,0,0]=3 4793 B17R2.5756 COCc1cc(ccc1c2ccc(s2)C)F 271570a_200010042602_100000761539 [0,2,0,0,0,0|1,0,0]=3 4794 B17R2.5756 COCc1cc(ccc1c2cnc(s2)C)F 271570a_200010042602_100000764884 [0,2,0,0,0,0|2,0,0]=4 4795 B17R2.5756 COCc1cc(ccc1c2nc(cs2)Br)F 271570a_200010042602_200016082925 [0,2,0,0,0,0|2,0,0]=4 4796 B17R2.5756 COCc1cc(ccc1c2nc(cs2)C)F 271570a_200010042602_100011291629 [0,2,0,0,0,0|2,0,0]=4 4797 B17R2.5756 COCc1cc(ccc1c2nc(cs2)N)F 271570a_200010042602_200015188442 [0,2,0,0,0,0|2,0,0]=4 4798 B17R2.5756 COCc1cc(ccc1c2ncc(s2)C)F 271570a_200010042602_100000690809 [0,2,0,0,0,0|2,0,0]=4 4799 B17R2.5756 Cc1ccc(c(c1)CC#N)c2ccc(s2)C 271570a_100011934456_100010147026 [0,2,0,0,0,0|2,0,0]=4 4800 B17R2.5756 Cc1ccc(c(c1)CC#N)c2ccc(s2)Cl 271570a_100000708867_100010147026 [0,2,0,0,0,0|2,0,0]=4 4801 B17R2.5756 Cc1ccc(s1)c2ccc(cc2CC#N)F 271570a_100011934456_100011206898 [0,2,0,0,0,0|2,0,0]=4 4802 B17R2.5756 Cc1csc(c1)c2ccc(cc2CC#N)C 271570a_100000038307_100010147026 [0,2,0,0,0,0|2,0,0]=4 4803 B17R2.5756 Cc1csc(c1)c2ccc(cc2CC#N)F 271570a_100000038307_100011206898 [0,2,0,0,0,0|2,0,0]=4 4804 B17R2.5756 N#CCc1cc(ccc1c2ccc(s2)Cl)F 271570a_100000708867_100011206898 [0,2,0,0,0,0|2,0,0]=4 4805 B17R2.19308 CCOc1ccc(cc1c2cc(cs2)C)C 271570a_100000038307_200000230997 [0,2,0,0,0,0|2,0,0]=4 4806 B17R2.19308 CCOc1ccc(cc1c2cc(cs2)C)C 271570a_100011263111_100009876951 [0,2,0,0,0,0|2,0,0]=4 4807 B17R2.19308 CCOc1ccc(cc1c2cc(cs2)C)Cl 271570a_100000043669_100009876951 [0,2,0,0,0,0|2,0,0]=4 4808 B17R2.19308 CCOc1ccc(cc1c2cc(cs2)C)F 271570a_100000038307_100000171695 [0,2,0,0,0,0|2,0,0]=4 4809 B17R2.19308 CCOc1ccc(cc1c2cc(cs2)C)F 271570a_100011263138_100009876951 [0,2,0,0,0,0|2,0,0]=4 4810 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)Br)C 271570a_100011263111_100010197418 [0,2,0,0,0,0|2,0,0]=4 4811 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)Br)F 271570a_100011263138_100010197418 [0,2,0,0,0,0|2,0,0]=4 4812 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)C)C 271570a_100011263111_100000761539 [0,2,0,0,0,0|2,0,0]=4 4813 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)C)C 271570a_100011934456_200000230997 [0,2,0,0,0,0|2,0,0]=4 4814 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)C)Cl 271570a_100000043669_100000761539 [0,2,0,0,0,0|2,0,0]=4 4815 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)C)F 271570a_100011263138_100000761539 [0,2,0,0,0,0|2,0,0]=4 4816 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)C)F 271570a_100011934456_100000171695 [0,2,0,0,0,0|2,0,0]=4 4817 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)Cl)C 271570a_100000708867_200000230997 [0,2,0,0,0,0|2,0,0]=4 4818 B17R2.19308 CCOc1ccc(cc1c2ccc(s2)Cl)F 271570a_100000708867_100000171695 [0,2,0,0,0,0|2,0,0]=4 4819 B17R2.19308 CNCc1ccc(cc1C2=CC(=O)CC2)F 271570a_100010737933_200011192132 [0,2,0,0,0,0|1,0,1]=4 4820 B17R2.19308 CNCc1ccc(cc1c2cc([nH]n2)C)F 271570a_100009872134_200011192132 [0,2,0,0,0,0|2,0,0]=4 4821 B17R2.19308 CNCc1ccc(cc1c2cc(cs2)C)F 271570a_100000038307_200011192132 [0,2,0,0,0,0|0,0,0]=2 4822 B17R2.19308 CNCc1ccc(cc1c2ccc(o2)C)F 271570a_100000061910_200011192132 [0,2,0,0,0,0|0,1,0]=3 4823 B17R2.19308 CNCc1ccc(cc1c2ccc(s2)C)F 271570a_100011934456_200011192132 [0,2,0,0,0,0|0,0,0]=2 4824 B17R2.19308 CNCc1ccc(cc1c2ccc(s2)Cl)F 271570a_100000708867_200011192132 [0,2,0,0,0,0|0,0,0]=2 4825 B17R2.19308 CNCc1ccc(cc1c2ccn(c2)C)F 271570a_100010172022_200011192132 [0,2,0,0,0,0|2,0,0]=4 4826 B17R2.19308 CNCc1ccc(cc1c2ccn(n2)C)F 271570a_100012348833_200011192132 [0,2,0,0,0,0|2,0,0]=4 4827 B17R2.19308 CNCc1ccc(cc1c2cnc(s2)C)F 271570a_100000696845_200011192132 [0,2,0,0,0,0|1,0,0]=3 4828 B17R2.19308 CNCc1ccc(cc1c2csc(c2)C)F 271570a_100000699828_200011192132 [0,2,0,0,0,0|2,0,0]=4 4829 B17R2.19308 Cc1ccc(s1)c2cc(ccc2CC#N)F 271570a_100011934456_100011207962 [0,2,0,0,0,0|2,0,0]=4 4830 B17R2.19308 Cc1csc(c1)c2cc(ccc2CC#N)F 271570a_100000038307_100011207962 [0,2,0,0,0,0|2,0,0]=4 4831 B17R2.19308 N#CCc1ccc(cc1c2ccc(s2)Cl)F 271570a_100000708867_100011207962 [0,2,0,0,0,0|2,0,0]=4 4832 B17R2.26484 CCOc1c(cccc1c2cc(cs2)C)F 271570a_100000038307_100010232518 [0,2,0,0,0,0|2,0,0]=4 4833 B17R2.26484 CCOc1c(cccc1c2cc(cs2)C)F 271570a_100000104142_100009876951 [0,2,0,0,0,0|2,0,0]=4 4834 B17R2.26484 CCOc1c(cccc1c2ccc(s2)Br)F 271570a_100000104142_100010197418 [0,2,0,0,0,0|2,0,0]=4 4835 B17R2.26484 CCOc1c(cccc1c2ccc(s2)C)F 271570a_100000104142_100000761539 [0,2,0,0,0,0|2,0,0]=4 4836 B17R2.26484 CCOc1c(cccc1c2ccc(s2)C)F 271570a_100011934456_100010232518 [0,2,0,0,0,0|2,0,0]=4 4837 B17R2.26484 CCOc1c(cccc1c2ccc(s2)Cl)F 271570a_100000708867_100010232518 [0,2,0,0,0,0|2,0,0]=4 4838 B17R2.26484 CNCc1c(cccc1C2=CC(=O)CC2)F 271570a_100010737933_106744473292 [0,2,0,0,0,0|1,0,1]=4 4839 B17R2.26484 CNCc1c(cccc1c2cc([nH]n2)C)F 271570a_100009872134_106744473292 [0,2,0,0,0,0|2,0,0]=4 4840 B17R2.26484 CNCc1c(cccc1c2cc(cs2)C)F 271570a_100000038307_106744473292 [0,2,0,0,0,0|0,0,0]=2 4841 B17R2.26484 CNCc1c(cccc1c2ccc(o2)C)F 271570a_100000061910_106744473292 [0,2,0,0,0,0|0,1,0]=3 4842 B17R2.26484 CNCc1c(cccc1c2ccc(s2)C)F 271570a_100011934456_106744473292 [0,2,0,0,0,0|0,0,0]=2 4843 B17R2.26484 CNCc1c(cccc1c2ccc(s2)Cl)F 271570a_100000708867_106744473292 [0,2,0,0,0,0|0,0,0]=2 4844 B17R2.26484 CNCc1c(cccc1c2ccn(c2)C)F 271570a_100010172022_106744473292 [0,2,0,0,0,0|2,0,0]=4 4845 B17R2.26484 CNCc1c(cccc1c2ccn(n2)C)F 271570a_100012348833_106744473292 [0,2,0,0,0,0|2,0,0]=4 4846 B17R2.26484 CNCc1c(cccc1c2cnc(s2)C)F 271570a_100000696845_106744473292 [0,2,0,0,0,0|1,0,0]=3 4847 B17R2.26484 CNCc1c(cccc1c2csc(c2)C)F 271570a_100000699828_106744473292 [0,2,0,0,0,0|2,0,0]=4 4848 B17R2.26484 Cc1ccc(s1)c2cccc(c2CC#N)C 271570a_100011934456_100010147027 [0,2,0,0,0,0|2,0,0]=4 4849 B17R2.26484 Cc1ccc(s1)c2cccc(c2CC#N)F 271570a_100011934456_100009817144 [0,2,0,0,0,0|2,0,0]=4 4850 B17R2.26484 Cc1cccc(c1CC#N)c2ccc(s2)Cl 271570a_100000708867_100010147027 [0,2,0,0,0,0|2,0,0]=4 4851 B17R2.26484 Cc1csc(c1)c2cccc(c2CC#N)C 271570a_100000038307_100010147027 [0,2,0,0,0,0|2,0,0]=4 4852 B17R2.26484 Cc1csc(c1)c2cccc(c2CC#N)F 271570a_100000038307_100009817144 [0,2,0,0,0,0|2,0,0]=4 4853 B17R2.26484 N#CCc1c(cccc1c2ccc(s2)Cl)F 271570a_100000708867_100009817144 [0,2,0,0,0,0|2,0,0]=4 4854 B17R2.26891 Cc1ccc(s1)c2c(cccc2CC#N)C 271570a_100011934456_100010147024 [0,2,0,0,0,0|2,0,0]=4 4855 B17R2.26891 Cc1cccc(c1c2ccc(s2)Cl)CC#N 271570a_100000708867_100010147024 [0,2,0,0,0,0|2,0,0]=4 4856 B17R2.26891 Cc1csc(c1)c2c(cccc2CC#N)C 271570a_100000038307_100010147024 [0,2,0,0,0,0|2,0,0]=4 4857 B17R2.47067 CNCc1ccccc1c2cnc(n2C)Cl 271570a_100000070314_100000184654 [0,2,0,0,0,0|2,0,0]=4 4858 B17R2.689 CCC(=O)Cc1ccccc1c2ccco2 1458a_100010444013_100000210202 [0,2,0,0,0,0|1,1,0]=4 4859 B17R2.689 CCC(=O)Cc1ccccc1c2cccs2 1458a_200010440607_100000210202 [0,2,0,0,0,0|1,0,0]=3 4860 B17R2.689 CCC(=O)Nc1ccccc1c2cccs2 271570a_100000742291_100000153536 [0,2,0,0,0,0|1,0,1]=4 4861 B17R2.689 CCC(C)Nc1ccccc1c2ccco2 34a_200020605208_100011215416 [0,2,0,0,0,0|1,1,0]=4 4862 B17R2.689 CCC(C)Sc1ccccc1c2nccs2 62a_100000758301_103496549459 [0,2,0,0,0,0|2,0,0]=4 4863 B17R2.689 CCC(C)Sc1ccccc1c2nccs2 62a_103496549459_100000758301 [0,2,0,0,0,0|2,0,0]=4 4864 B17R2.689 CCN(C)Cc1ccccc1c2cc[nH]n2 26a_100000225621_100000055191 [0,2,0,0,0,0|2,0,0]=4 4865 B17R2.689 CCN(C)Cc1ccccc1c2ccsc2 26a_100000225621_100011997965 [0,2,0,0,0,0|2,0,0]=4 4866 B17R2.689 CNC(=O)Cc1ccccc1c2cc[nH]c2 271570a_100000102155_200009816160 [0,2,0,0,0,0|2,0,0]=4 4867 B17R2.689 CNC(=O)Cc1ccccc1c2cc[nH]n2 271570a_100000062414_200009816160 [0,2,0,0,0,0|2,0,0]=4 4868 B17R2.689 CNC(=O)Cc1ccccc1c2ccco2 11a_106832991635_100010444013 [0,2,0,0,0,0|0,1,0]=3 4869 B17R2.689 CNC(=O)Cc1ccccc1c2ccco2 1626a_100102657272_100010444013 [0,2,0,0,0,0|0,1,0]=3 4870 B17R2.689 CNC(=O)Cc1ccccc1c2ccco2 240690a_100102657272_100010444013 [0,2,0,0,0,0|0,1,0]=3 4871 B17R2.689 CNC(=O)Cc1ccccc1c2ccco2 271570a_100000750936_200009816160 [0,2,0,0,0,0|0,1,0]=3 4872 B17R2.689 CNC(=O)Cc1ccccc1c2cccs2 11a_106832991635_200010440607 [0,2,0,0,0,0|0,0,0]=2 4873 B17R2.689 CNC(=O)Cc1ccccc1c2cccs2 1626a_100102657272_200010440607 [0,2,0,0,0,0|0,0,0]=2 4874 B17R2.689 CNC(=O)Cc1ccccc1c2cccs2 240690a_100102657272_200010440607 [0,2,0,0,0,0|0,0,0]=2 4875 B17R2.689 CNC(=O)Cc1ccccc1c2cccs2 271570a_100000742291_200009816160 [0,2,0,0,0,0|0,0,0]=2 4876 B17R2.689 CNC(=O)Cc1ccccc1c2ccoc2 271570a_100011218838_200009816160 [0,2,0,0,0,0|2,0,0]=4 4877 B17R2.689 CNC(=O)Cc1ccccc1c2ccsc2 11a_106832991635_200019673428 [0,2,0,0,0,0|2,0,0]=4 4878 B17R2.689 CNC(=O)Cc1ccccc1c2ccsc2 1626a_100102657272_200019673428 [0,2,0,0,0,0|2,0,0]=4 4879 B17R2.689 CNC(=O)Cc1ccccc1c2ccsc2 240690a_100102657272_200019673428 [0,2,0,0,0,0|2,0,0]=4 4880 B17R2.689 CNC(=O)Cc1ccccc1c2ccsc2 271570a_100011934443_200009816160 [0,2,0,0,0,0|2,0,0]=4 4881 B17R2.689 CNC(=O)Cc1ccccc1c2cncs2 271570a_100010231675_200009816160 [0,2,0,0,0,0|1,0,0]=3 4882 B17R2.689 CNC(=O)Cc1ccccc1c2ncc[nH]2 271570a_100016988920_200009816160 [0,2,0,0,0,0|2,0,0]=4 4883 B17R2.689 CNC(=O)Nc1ccccc1c2ccco2 2430a_200020605208_100102657272 [0,2,0,0,0,0|0,1,1]=4 4884 B17R2.689 COC(=O)Cc1ccccc1c2ccco2 271570a_100000699857_100009814098 [0,2,0,0,0,0|1,1,0]=4 4885 B17R2.689 COC(=O)Cc1ccccc1c2ccco2 271570a_100000750936_100000699816 [0,2,0,0,0,0|1,1,0]=4 4886 B17R2.689 COC(=O)Cc1ccccc1c2cccs2 271570a_100000699857_100011215356 [0,2,0,0,0,0|1,0,0]=3 4887 B17R2.689 COC(=O)Cc1ccccc1c2cccs2 271570a_100000742291_100000699816 [0,2,0,0,0,0|1,0,0]=3 4888 B17R2.689 COC(=O)Cc1ccccc1c2cncs2 271570a_100000699857_100011934649 [0,2,0,0,0,0|2,0,0]=4 4889 B17R2.689 COC(=O)Cc1ccccc1c2cncs2 271570a_100010231675_100000699816 [0,2,0,0,0,0|2,0,0]=4 4890 B17R2.689 COC(=O)Cc1ccccc1c2nccs2 271570a_100000699857_100000211983 [0,2,0,0,0,0|2,0,0]=4 4891 B17R2.689 COC(=O)Cc1cccnc1c2cccs2 271570a_100000742291_100010293180 [0,2,0,0,0,0|2,0,0]=4 4892 B17R2.689 COC(=O)Cc1ncccc1c2cccs2 271570a_100000742291_100012347948 [0,2,0,0,0,0|2,0,0]=4 4893 B17R2.689 COC(=O)Cc1ncccc1c2cccs2 271570a_200010046451_100011215356 [0,2,0,0,0,0|2,0,0]=4 4894 B17R2.689 COC(=O)Nc1ccccc1c2cccs2 271570a_100000742291_100000216184 [0,2,0,0,0,0|1,0,1]=4 4895 B17R2.689 COC(C)Sc1ccccc1c2nccs2 62a_100009879195_103496549459 [0,2,0,0,0,0|2,0,0]=4 4896 B17R2.689 COC(C)Sc1ccccc1c2nccs2 62a_103496549459_100009879195 [0,2,0,0,0,0|2,0,0]=4 4897 B17R2.689 NNC(=O)Cc1ccccc1c2ccco2 271570a_100000750936_200010210069 [0,2,0,0,0,0|1,1,0]=4 4898 B17R2.689 NNC(=O)Cc1ccccc1c2cccs2 271570a_100000742291_200010210069 [0,2,0,0,0,0|1,0,0]=3 4899 B17R2.689 NNC(=O)Cc1ccccc1c2cncs2 271570a_100010231675_200010210069 [0,2,0,0,0,0|2,0,0]=4 4900 B17R2.689 O=C(CF)Cc1ccccc1c2ccco2 1458a_100010444013_100015361967 [0,2,0,0,0,0|1,1,0]=4 4901 B17R2.689 O=C(CF)Cc1ccccc1c2cccs2 1458a_200010440607_100015361967 [0,2,0,0,0,0|1,0,0]=3 4902 B17R2.702 CCCOc1cc(ccc1c2ccco2)Cl 271570a_200010090703_100009814098 [0,2,0,0,0,0|1,1,0]=4 4903 B17R2.702 CCCOc1cc(ccc1c2ccco2)F 271570a_100000750936_200012344540 [0,2,0,0,0,0|1,1,0]=4 4904 B17R2.702 CCCOc1cc(ccc1c2ccco2)F 271570a_200011356785_100009814098 [0,2,0,0,0,0|1,1,0]=4 4905 B17R2.702 CCCOc1cc(ccc1c2cccs2)Cl 271570a_200010090703_100011215356 [0,2,0,0,0,0|1,0,0]=3 4906 B17R2.702 CCCOc1cc(ccc1c2cccs2)F 271570a_100000742291_200012344540 [0,2,0,0,0,0|1,0,0]=3 4907 B17R2.702 CCCOc1cc(ccc1c2cccs2)F 271570a_200011356785_100011215356 [0,2,0,0,0,0|1,0,0]=3 4908 B17R2.702 CCCOc1cc(ccc1c2cncs2)Cl 271570a_200010090703_100011934649 [0,2,0,0,0,0|2,0,0]=4 4909 B17R2.702 CCCOc1cc(ccc1c2cncs2)F 271570a_100010231675_200012344540 [0,2,0,0,0,0|2,0,0]=4 4910 B17R2.702 CCCOc1cc(ccc1c2cncs2)F 271570a_200011356785_100011934649 [0,2,0,0,0,0|2,0,0]=4 4911 B17R2.702 CCCOc1cc(ccc1c2nccs2)Cl 271570a_200010090703_100000211983 [0,2,0,0,0,0|2,0,0]=4 4912 B17R2.702 CCCOc1cc(ccc1c2nccs2)F 271570a_200011356785_100000211983 [0,2,0,0,0,0|2,0,0]=4 4913 B17R2.702 CCNCc1cc(ccc1n2cccn2)F 207a_100015525214_200011291332 [0,2,0,0,0,0|2,0,0]=4 4914 B17R2.702 CCNCc1cc(ccc1n2cccn2)F 270004a_100015525214_200011291332 [0,2,0,0,0,0|2,0,0]=4 4915 B17R2.702 COCOc1cc(ccc1c2ccco2)C 271570a_100000750936_200023989289 [0,2,0,0,0,0|1,1,0]=4 4916 B17R2.702 COCOc1cc(ccc1c2ccco2)C 271570a_100010712657_100009814098 [0,2,0,0,0,0|1,1,0]=4 4917 B17R2.702 COCOc1cc(ccc1c2ccco2)F 271570a_100000750936_200012568746 [0,2,0,0,0,0|1,1,0]=4 4918 B17R2.702 COCOc1cc(ccc1c2cccs2)C 271570a_100000742291_200023989289 [0,2,0,0,0,0|1,0,0]=3 4919 B17R2.702 COCOc1cc(ccc1c2cccs2)C 271570a_100010712657_100011215356 [0,2,0,0,0,0|1,0,0]=3 4920 B17R2.702 COCOc1cc(ccc1c2cccs2)F 271570a_100000742291_200012568746 [0,2,0,0,0,0|1,0,0]=3 4921 B17R2.702 COCOc1cc(ccc1c2cncs2)C 271570a_100010231675_200023989289 [0,2,0,0,0,0|2,0,0]=4 4922 B17R2.702 COCOc1cc(ccc1c2cncs2)C 271570a_100010712657_100011934649 [0,2,0,0,0,0|2,0,0]=4 4923 B17R2.702 COCOc1cc(ccc1c2cncs2)F 271570a_100010231675_200012568746 [0,2,0,0,0,0|2,0,0]=4 4924 B17R2.702 COCOc1cc(ccc1c2nccs2)C 271570a_100010712657_100000211983 [0,2,0,0,0,0|2,0,0]=4 4925 B17R2.776 C#CCOc1ccccc1c2sccc2Br 271570a_100120463016_100012361411 [0,2,0,0,0,0|1,0,1]=4 4926 B17R2.776 C#CCOc1ccccc1c2sccc2C 271570a_100120463016_100000742657 [0,2,0,0,0,0|1,0,1]=4 4927 B17R2.776 C=CCOc1ccccc1c2sccc2Br 271570a_100011263033_100012361411 [0,2,0,0,0,0|1,0,1]=4 4928 B17R2.776 C=CCOc1ccccc1c2sccc2C 271570a_100011263033_100000742657 [0,2,0,0,0,0|1,0,1]=4 4929 B17R2.776 CCCOc1ccccc1c2cccn2C 271570a_100000068268_100000174042 [0,2,0,0,0,0|2,0,0]=4 4930 B17R2.776 CCCOc1ccccc1c2sccc2Br 271570a_100011216077_100012361411 [0,2,0,0,0,0|1,0,0]=3 4931 B17R2.776 CCCOc1ccccc1c2sccc2C 271570a_100000734444_100000174042 [0,2,0,0,0,0|1,0,0]=3 4932 B17R2.776 CCCOc1ccccc1c2sccc2C 271570a_100011216077_100000742657 [0,2,0,0,0,0|1,0,0]=3 4933 B17R2.776 CCCOc1ccccc1c2scnc2C 271570a_100010115231_100000174042 [0,2,0,0,0,0|2,0,0]=4 4934 B17R2.776 CCCOc1ccccc1c2scnc2C 271570a_100011216077_100009817116 [0,2,0,0,0,0|2,0,0]=4 4935 B17R2.776 CCCOc1ncccc1c2sccc2Br 271570a_100000047057_100012361411 [0,2,0,0,0,0|2,0,0]=4 4936 B17R2.776 CCCOc1ncccc1c2sccc2C 271570a_100000047057_100000742657 [0,2,0,0,0,0|2,0,0]=4 4937 B17R2.776 CCCOc1ncccc1c2sccc2C 271570a_100000734444_200011465209 [0,2,0,0,0,0|2,0,0]=4 4938 B17R2.776 CCOCc1ccccc1c2cccn2C 271570a_100000068268_200011493690 [0,2,0,0,0,0|2,0,0]=4 4939 B17R2.776 CCOCc1ccccc1c2sccc2C 271570a_100000734444_200011493690 [0,2,0,0,0,0|1,0,0]=3 4940 B17R2.776 CCOCc1ccccc1c2scnc2C 271570a_100010115231_200011493690 [0,2,0,0,0,0|2,0,0]=4 4941 B17R2.776 CCSCc1ccccc1c2cccn2C 271570a_100000068268_200000173030 [0,2,0,0,0,0|2,0,0]=4 4942 B17R2.776 CCSCc1ccccc1c2sccc2C 271570a_100000734444_200000173030 [0,2,0,0,0,0|1,0,0]=3 4943 B17R2.776 CCSCc1ccccc1c2scnc2C 271570a_100010115231_200000173030 [0,2,0,0,0,0|2,0,0]=4 4944 B17R2.776 COCOc1ccccc1c2cccn2C 271570a_100000068268_200000230759 [0,2,0,0,0,0|2,0,0]=4 4945 B17R2.776 COCOc1ccccc1c2sccc2Br 271570a_100012001573_100012361411 [0,2,0,0,0,0|1,0,0]=3 4946 B17R2.776 COCOc1ccccc1c2sccc2C 271570a_100000734444_200000230759 [0,2,0,0,0,0|1,0,0]=3 4947 B17R2.776 COCOc1ccccc1c2sccc2C 271570a_100012001573_100000742657 [0,2,0,0,0,0|1,0,0]=3 4948 B17R2.776 COCOc1ccccc1c2scnc2C 271570a_100010115231_200000230759 [0,2,0,0,0,0|2,0,0]=4 4949 B17R2.776 COCOc1ccccc1c2scnc2C 271570a_100012001573_100009817116 [0,2,0,0,0,0|2,0,0]=4 4950 B17R2.776 COCOc1cccnc1c2sccc2C 271570a_100000734444_100011935308 [0,2,0,0,0,0|2,0,0]=4 4951 B17R2.776 Cc1ccsc1c2ccccc2C#CCO 271570a_100000734444_100009814404 [0,2,0,0,0,0|1,0,1]=4 4952 B17R2.776 Cc1ccsc1c2ccccc2CCC=O 271570a_100000734444_100011713448 [0,2,0,0,0,0|1,0,1]=4 4953 B17R2.776 Cc1ccsc1c2ccccc2CCCO 271570a_100000734444_100000699526 [0,2,0,0,0,0|1,0,0]=3 4954 B17R2.776 Cc1ccsc1c2ccccc2CN=[N+]=[N-] 271570a_200010363339_100000742657 [0,2,0,0,0,0|1,0,1]=4 4955 B17R2.776 Cc1ccsc1c2ccccc2CSC#N 271570a_100000734444_200010199460 [0,2,0,0,0,0|1,0,1]=4 4956 B17R2.776 Cc1ccsc1c2ccccc2OCC#N 271570a_100000734444_200000173881 [0,2,0,0,0,0|2,0,0]=4 4957 B17R2.776 Cc1ccsc1c2ccccc2OCCN 271570a_100000734444_100000744007 [0,2,0,0,0,0|2,0,0]=4 4958 B17R2.776 Cc1ccsc1c2ccccc2OCCO 271570a_100000734444_100000230753 [0,2,0,0,0,0|2,0,0]=4 4959 B17R2.776 Cc1ccsc1c2ccccc2SCCO 271570a_100000734444_200000230852 [0,2,0,0,0,0|2,0,0]=4 4960 B17R2.776 Cc1ncsc1c2ccccc2CCCO 271570a_100010115231_100000699526 [0,2,0,0,0,0|2,0,0]=4 4961 B17R2.776 Cn1cccc1c2ccccc2CCCO 271570a_100000068268_100000699526 [0,2,0,0,0,0|2,0,0]=4 4962 B17R2.776 [N-]=[N+]=NCc1ccccc1c2sccc2Br 271570a_200010363339_100012361411 [0,2,0,0,0,0|1,0,1]=4 4963 B17R2.5624 C=C(C)CNc1ccccc1c2ccco2 34a_200020605208_100000748629 [0,2,0,0,0,0|1,1,0]=4 4964 B17R2.5624 C=C(C)CSc1ccccc1c2nccs2 62a_100000748629_103496549459 [0,2,0,0,0,0|2,0,0]=4 4965 B17R2.5624 C=C(C)CSc1ccccc1c2nccs2 62a_103496549459_100000211660 [0,2,0,0,0,0|2,0,0]=4 4966 B17R2.5624 CC(=O)NCc1ccccc1c2cc[nH]c2 271570a_100000102155_100011237613 [0,2,0,0,0,0|2,0,0]=4 4967 B17R2.5624 CC(=O)NCc1ccccc1c2cc[nH]n2 271570a_100000062414_100011237613 [0,2,0,0,0,0|2,0,0]=4 4968 B17R2.5624 CC(=O)NCc1ccccc1c2ccco2 11a_100161156520_100015343762 [0,2,0,0,0,0|0,1,0]=3 4969 B17R2.5624 CC(=O)NCc1ccccc1c2ccco2 1626a_100161156520_100015343762 [0,2,0,0,0,0|0,1,0]=3 4970 B17R2.5624 CC(=O)NCc1ccccc1c2ccco2 240690a_100161156520_100015343762 [0,2,0,0,0,0|0,1,0]=3 4971 B17R2.5624 CC(=O)NCc1ccccc1c2ccco2 271570a_100000750936_100011237613 [0,2,0,0,0,0|0,1,0]=3 4972 B17R2.5624 CC(=O)NCc1ccccc1c2ccco2 527a_100161156520_100103153847 [0,2,0,0,0,0|0,1,0]=3 4973 B17R2.5624 CC(=O)NCc1ccccc1c2cccs2 11a_100016995785_100015343762 [0,2,0,0,0,0|0,0,0]=2 4974 B17R2.5624 CC(=O)NCc1ccccc1c2cccs2 1626a_100016995785_100015343762 [0,2,0,0,0,0|0,0,0]=2 4975 B17R2.5624 CC(=O)NCc1ccccc1c2cccs2 240690a_100016995785_100015343762 [0,2,0,0,0,0|0,0,0]=2 4976 B17R2.5624 CC(=O)NCc1ccccc1c2cccs2 271570a_100000742291_100011237613 [0,2,0,0,0,0|0,0,0]=2 4977 B17R2.5624 CC(=O)NCc1ccccc1c2cccs2 527a_100016995785_100103153847 [0,2,0,0,0,0|0,0,0]=2 4978 B17R2.5624 CC(=O)NCc1ccccc1c2ccoc2 271570a_100011218838_100011237613 [0,2,0,0,0,0|2,0,0]=4 4979 B17R2.5624 CC(=O)NCc1ccccc1c2ccsc2 271570a_100011934443_100011237613 [0,2,0,0,0,0|2,0,0]=4 4980 B17R2.5624 CC(=O)NCc1ccccc1c2cncs2 271570a_100010231675_100011237613 [0,2,0,0,0,0|1,0,0]=3 4981 B17R2.5624 CC(=O)NCc1ccccc1c2ncc[nH]2 271570a_100016988920_100011237613 [0,2,0,0,0,0|2,0,0]=4 4982 B17R2.5624 CC(=O)NCc1ccccc1n2cccn2 11a_100000743937_100015343762 [0,2,0,0,0,0|2,0,0]=4 4983 B17R2.5624 CC(=O)NCc1ccccc1n2cccn2 1626a_100000743937_100015343762 [0,2,0,0,0,0|2,0,0]=4 4984 B17R2.5624 CC(=O)NCc1ccccc1n2cccn2 240690a_100000743937_100015343762 [0,2,0,0,0,0|2,0,0]=4 4985 B17R2.5624 CC(=O)NCc1ccccc1n2cccn2 527a_100000743937_100103153847 [0,2,0,0,0,0|2,0,0]=4 4986 B17R2.5624 CC(=O)OCc1ccccc1c2ccco2 271570a_200021407137_100009814098 [0,2,0,0,0,0|1,1,0]=4 4987 B17R2.5624 CC(=O)OCc1ccccc1c2cccs2 271570a_200021407137_100011215356 [0,2,0,0,0,0|1,0,0]=3 4988 B17R2.5624 CC(=O)OCc1ccccc1c2cncs2 271570a_200021407137_100011934649 [0,2,0,0,0,0|2,0,0]=4 4989 B17R2.5624 CC(=O)OCc1ccccc1c2nccs2 271570a_200021407137_100000211983 [0,2,0,0,0,0|2,0,0]=4 4990 B17R2.5624 CC(C)CNc1ccccc1c2ccco2 34a_200020605208_100000210624 [0,2,0,0,0,0|1,1,0]=4 4991 B17R2.5624 CC(C)COc1ccccc1c2ccco2 271570a_100011263024_100009814098 [0,2,0,0,0,0|1,1,0]=4 4992 B17R2.5624 CC(C)COc1ccccc1c2cccs2 271570a_100011263024_100011215356 [0,2,0,0,0,0|1,0,0]=3 4993 B17R2.5624 CC(C)COc1ccccc1c2cncs2 271570a_100011263024_100011934649 [0,2,0,0,0,0|2,0,0]=4 4994 B17R2.5624 CC(C)COc1ccccc1c2nccs2 271570a_100011263024_100000211983 [0,2,0,0,0,0|2,0,0]=4 4995 B17R2.5624 CC(C)CSc1ccccc1c2nccs2 62a_100000210624_103496549459 [0,2,0,0,0,0|2,0,0]=4 4996 B17R2.5624 CC(C)CSc1ccccc1c2nccs2 62a_103496549459_100000210760 [0,2,0,0,0,0|2,0,0]=4 4997 B17R2.5624 CC(C)NCc1ccccc1c2c[nH]cn2 271570a_200010048309_100000756875 [0,2,0,0,0,0|2,0,0]=4 4998 B17R2.5624 CC(C)NCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000195800 [0,2,0,0,0,0|2,0,0]=4 4999 B17R2.5624 CC(C)NCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000195800 [0,2,0,0,0,0|2,0,0]=4 5000 B17R2.5624 CC(C)NCc1ccccc1c2cc[nH]n2 271570a_200010048309_100000062575 [0,2,0,0,0,0|2,0,0]=4 5001 B17R2.5624 CC(C)NCc1ccccc1c2ccco2 207a_100138425928_100011217036 [0,2,0,0,0,0|0,1,0]=3 5002 B17R2.5624 CC(C)NCc1ccccc1c2ccco2 271570a_100000750936_100000195800 [0,2,0,0,0,0|0,1,0]=3 5003 B17R2.5624 CC(C)NCc1ccccc1c2ccco2 271570a_200010048309_100009814098 [0,2,0,0,0,0|0,1,0]=3 5004 B17R2.5624 CC(C)NCc1ccccc1c2ccco2 34a_100161156520_100000210206 [0,2,0,0,0,0|0,1,0]=3 5005 B17R2.5624 CC(C)NCc1ccccc1c2cccs2 207a_100138425928_200011191916 [0,2,0,0,0,0|0,0,0]=2 5006 B17R2.5624 CC(C)NCc1ccccc1c2cccs2 271570a_100000742291_100000195800 [0,2,0,0,0,0|0,0,0]=2 5007 B17R2.5624 CC(C)NCc1ccccc1c2cccs2 271570a_200010048309_100011215356 [0,2,0,0,0,0|0,0,0]=2 5008 B17R2.5624 CC(C)NCc1ccccc1c2cccs2 34a_100016995785_100000210206 [0,2,0,0,0,0|0,0,0]=2 5009 B17R2.5624 CC(C)NCc1ccccc1c2ccoc2 271570a_100011218838_100000195800 [0,2,0,0,0,0|2,0,0]=4 5010 B17R2.5624 CC(C)NCc1ccccc1c2ccoc2 271570a_200010048309_100011215275 [0,2,0,0,0,0|2,0,0]=4 5011 B17R2.5624 CC(C)NCc1ccccc1c2ccsc2 207a_100138425928_200011217932 [0,2,0,0,0,0|2,0,0]=4 5012 B17R2.5624 CC(C)NCc1ccccc1c2ccsc2 271570a_100011934443_100000195800 [0,2,0,0,0,0|2,0,0]=4 5013 B17R2.5624 CC(C)NCc1ccccc1c2ccsc2 271570a_200010048309_100000738268 [0,2,0,0,0,0|2,0,0]=4 5014 B17R2.5624 CC(C)NCc1ccccc1c2ccsn2 271570a_200010048309_100009818082 [0,2,0,0,0,0|2,0,0]=4 5015 B17R2.5624 CC(C)NCc1ccccc1c2cnco2 271570a_200010048309_100020591547 [0,2,0,0,0,0|1,1,0]=4 5016 B17R2.5624 CC(C)NCc1ccccc1c2cncs2 271570a_100010231675_100000195800 [0,2,0,0,0,0|1,0,0]=3 5017 B17R2.5624 CC(C)NCc1ccccc1c2cncs2 271570a_200010048309_100011934649 [0,2,0,0,0,0|1,0,0]=3 5018 B17R2.5624 CC(C)NCc1ccccc1c2cscn2 271570a_200010048309_100000751502 [0,2,0,0,0,0|2,0,0]=4 5019 B17R2.5624 CC(C)NCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000195800 [0,2,0,0,0,0|2,0,0]=4 5020 B17R2.5624 CC(C)NCc1ccccc1c2ncc[nH]2 271570a_200010048309_100025796157 [0,2,0,0,0,0|2,0,0]=4 5021 B17R2.5624 CC(C)NCc1ccccc1c2ncco2 271570a_200010048309_100011787736 [0,2,0,0,0,0|1,1,0]=4 5022 B17R2.5624 CC(C)NCc1ccccc1c2nccs2 207a_100138425928_100000068343 [0,2,0,0,0,0|1,0,0]=3 5023 B17R2.5624 CC(C)NCc1ccccc1c2nccs2 271570a_200010048309_100000211983 [0,2,0,0,0,0|1,0,0]=3 5024 B17R2.5624 CC(C)NCc1ccccc1c2ncns2 271570a_200010048309_100000693119 [0,2,0,0,0,0|2,0,0]=4 5025 B17R2.5624 CC(C)NCc1ccccc1c2nncs2 271570a_200010048309_100000739804 [0,2,0,0,0,0|2,0,0]=4 5026 B17R2.5624 CC(C)NCc1ccccc1n2cccc2 207a_100138425928_100000050373 [0,2,0,0,0,0|2,0,0]=4 5027 B17R2.5624 CC(C)NCc1ccccc1n2cccn2 207a_100138425928_100102946334 [0,2,0,0,0,0|2,0,0]=4 5028 B17R2.5624 CC(C)NCc1ccccc1n2cccn2 34a_100000743937_100000210206 [0,2,0,0,0,0|2,0,0]=4 5029 B17R2.5624 CC(C)OCc1ccccc1c2ccco2 34a_100000067684_100000210206 [0,2,0,0,0,0|1,1,0]=4 5030 B17R2.5624 CC(C)OCc1ccccc1c2ccco2 7a_100000067684_100000210206 [0,2,0,0,0,0|1,1,0]=4 5031 B17R2.5624 CC(C)OCc1ccccc1c2cccs2 34a_100000067680_100000210206 [0,2,0,0,0,0|1,0,0]=3 5032 B17R2.5624 CC(C)OCc1ccccc1c2cccs2 7a_100000067680_100000210206 [0,2,0,0,0,0|1,0,0]=3 5033 B17R2.5624 CC(C)SCc1ccccc1c2ccco2 271570a_100000750936_200000173093 [0,2,0,0,0,0|1,1,0]=4 5034 B17R2.5624 CC(C)SCc1ccccc1c2cncs2 271570a_100010231675_200000173093 [0,2,0,0,0,0|2,0,0]=4 5035 B17R2.5624 CC(O)CNc1ccccc1c2ccco2 34a_200020605208_100011218427 [0,2,0,0,0,0|1,1,0]=4 5036 B17R2.5624 CC(O)CSc1ccccc1c2nccs2 62a_100011218427_103496549459 [0,2,0,0,0,0|2,0,0]=4 5037 B17R2.5624 CC(O)CSc1ccccc1c2nccs2 62a_103496549459_100011218427 [0,2,0,0,0,0|2,0,0]=4 5038 B17R2.5624 C[C@@H](O)CNc1ccccc1c2ccco2 34a_200020605208_100009817552 [0,2,0,0,0,0|1,1,0]=4 5039 B17R2.5624 C[C@@H](O)CSc1ccccc1c2nccs2 62a_100009817552_103496549459 [0,2,0,0,0,0|2,0,0]=4 5040 B17R2.5624 C[C@@H](O)CSc1ccccc1c2nccs2 62a_103496549459_100009817552 [0,2,0,0,0,0|2,0,0]=4 5041 B17R2.5624 FC(F)COc1ccccc1c2cccs2 271570a_100000742291_100000692002 [0,2,0,0,0,0|2,0,0]=4 5042 B17R2.5624 NC(=O)CCc1ccccc1c2cccs2 271570a_100000742291_100009814947 [0,2,0,0,0,0|1,0,1]=4 5043 B17R2.5624 NC(=O)COc1ccccc1c2cccs2 271570a_100000742291_200000148491 [0,2,0,0,0,0|2,0,0]=4 5044 B17R2.5744 C#CCNCc1ccccc1c2ccco2 34a_100161156520_100000184674 [0,2,0,0,0,0|0,1,0]=3 5045 B17R2.5744 C#CCNCc1ccccc1c2cccs2 34a_100016995785_100000184674 [0,2,0,0,0,0|0,0,0]=2 5046 B17R2.5744 C#CCNCc1ccccc1n2cccn2 34a_100000743937_100000184674 [0,2,0,0,0,0|2,0,0]=4 5047 B17R2.5744 C#CCOCc1ccccc1c2ccco2 34a_100000067684_100000184674 [0,2,0,0,0,0|1,1,0]=4 5048 B17R2.5744 C#CCOCc1ccccc1c2ccco2 7a_100000067684_100000038162 [0,2,0,0,0,0|1,1,0]=4 5049 B17R2.5744 C#CCOCc1ccccc1c2cccs2 34a_100000067680_100000184674 [0,2,0,0,0,0|1,0,0]=3 5050 B17R2.5744 C#CCOCc1ccccc1c2cccs2 7a_100000067680_100000038162 [0,2,0,0,0,0|1,0,0]=3 5051 B17R2.5744 C/C=C/CNc1ccccc1c2ccco2 34a_200020605208_100102629194 [0,2,0,0,0,0|1,1,0]=4 5052 B17R2.5744 C/C=C/CSc1ccccc1c2nccs2 62a_100102629194_103496549459 [0,2,0,0,0,0|2,0,0]=4 5053 B17R2.5744 C/C=C/CSc1ccccc1c2nccs2 62a_103496549459_100102629194 [0,2,0,0,0,0|2,0,0]=4 5054 B17R2.5744 C=CCNCc1ccccc1c2ccco2 270004a_100020586998_100011217036 [0,2,0,0,0,0|0,1,0]=3 5055 B17R2.5744 C=CCNCc1ccccc1c2ccco2 34a_100161156520_100015514636 [0,2,0,0,0,0|0,1,0]=3 5056 B17R2.5744 C=CCNCc1ccccc1c2cccs2 270004a_100020586998_200011191916 [0,2,0,0,0,0|0,0,0]=2 5057 B17R2.5744 C=CCNCc1ccccc1c2cccs2 34a_100016995785_100015514636 [0,2,0,0,0,0|0,0,0]=2 5058 B17R2.5744 C=CCNCc1ccccc1c2ccsc2 270004a_100020586998_200011217932 [0,2,0,0,0,0|2,0,0]=4 5059 B17R2.5744 C=CCNCc1ccccc1c2nccs2 270004a_100020586998_100000068343 [0,2,0,0,0,0|1,0,0]=3 5060 B17R2.5744 C=CCNCc1ccccc1n2cccc2 270004a_100020586998_100000050373 [0,2,0,0,0,0|2,0,0]=4 5061 B17R2.5744 C=CCNCc1ccccc1n2cccn2 270004a_100020586998_100102946334 [0,2,0,0,0,0|2,0,0]=4 5062 B17R2.5744 C=CCNCc1ccccc1n2cccn2 34a_100000743937_100015514636 [0,2,0,0,0,0|2,0,0]=4 5063 B17R2.5744 C=CCOCc1ccccc1c2ccco2 34a_100000067684_100015514636 [0,2,0,0,0,0|1,1,0]=4 5064 B17R2.5744 C=CCOCc1ccccc1c2ccco2 7a_100000067684_100015514636 [0,2,0,0,0,0|1,1,0]=4 5065 B17R2.5744 C=CCOCc1ccccc1c2cccs2 34a_100000067680_100015514636 [0,2,0,0,0,0|1,0,0]=3 5066 B17R2.5744 C=CCOCc1ccccc1c2cccs2 7a_100000067680_100015514636 [0,2,0,0,0,0|1,0,0]=3 5067 B17R2.5744 CC#CCNc1ccccc1c2ccco2 34a_200020605208_100000748600 [0,2,0,0,0,0|1,1,0]=4 5068 B17R2.5744 CC#CCSc1ccccc1c2nccs2 62a_100000748600_103496549459 [0,2,0,0,0,0|2,0,0]=4 5069 B17R2.5744 CC#CCSc1ccccc1c2nccs2 62a_103496549459_100000748600 [0,2,0,0,0,0|2,0,0]=4 5070 B17R2.5744 CC=CCNc1ccccc1c2ccco2 34a_200020605208_100000070051 [0,2,0,0,0,0|1,1,0]=4 5071 B17R2.5744 CC=CCSc1ccccc1c2nccs2 62a_100000070051_103496549459 [0,2,0,0,0,0|2,0,0]=4 5072 B17R2.5744 CC=CCSc1ccccc1c2nccs2 62a_103496549459_100000070051 [0,2,0,0,0,0|2,0,0]=4 5073 B17R2.5744 CCCC=Cc1ccccc1c2nccs2 271570a_100016258520_103496549459 [0,2,0,0,0,0|2,0,0]=4 5074 B17R2.5744 CCCCNc1ccccc1c2ccco2 34a_200020605208_100000210210 [0,2,0,0,0,0|1,1,0]=4 5075 B17R2.5744 CCCCOc1ccccc1c2ccco2 271570a_100000750936_100000230755 [0,2,0,0,0,0|1,1,0]=4 5076 B17R2.5744 CCCCOc1ccccc1c2ccco2 271570a_100011263013_100009814098 [0,2,0,0,0,0|1,1,0]=4 5077 B17R2.5744 CCCCOc1ccccc1c2cccs2 271570a_100000742291_100000230755 [0,2,0,0,0,0|1,0,0]=3 5078 B17R2.5744 CCCCOc1ccccc1c2cccs2 271570a_100011263013_100011215356 [0,2,0,0,0,0|1,0,0]=3 5079 B17R2.5744 CCCCOc1ccccc1c2cncs2 271570a_100010231675_100000230755 [0,2,0,0,0,0|2,0,0]=4 5080 B17R2.5744 CCCCOc1ccccc1c2cncs2 271570a_100011263013_100011934649 [0,2,0,0,0,0|2,0,0]=4 5081 B17R2.5744 CCCCOc1ccccc1c2nccs2 271570a_100011263013_100000211983 [0,2,0,0,0,0|2,0,0]=4 5082 B17R2.5744 CCCCSc1ccccc1c2nccs2 62a_100000210211_103496549459 [0,2,0,0,0,0|2,0,0]=4 5083 B17R2.5744 CCCCSc1ccccc1c2nccs2 62a_103496549459_100000210210 [0,2,0,0,0,0|2,0,0]=4 5084 B17R2.5744 CCCNCc1ccccc1c2cc[nH]c2 271570a_100000102155_100000196483 [0,2,0,0,0,0|2,0,0]=4 5085 B17R2.5744 CCCNCc1ccccc1c2cc[nH]n2 271570a_100000062414_100000196483 [0,2,0,0,0,0|2,0,0]=4 5086 B17R2.5744 CCCNCc1ccccc1c2ccco2 207a_100020643023_100011217036 [0,2,0,0,0,0|0,1,0]=3 5087 B17R2.5744 CCCNCc1ccccc1c2ccco2 270004a_100020643023_100011217036 [0,2,0,0,0,0|0,1,0]=3 5088 B17R2.5744 CCCNCc1ccccc1c2ccco2 271570a_100000750936_100000196483 [0,2,0,0,0,0|0,1,0]=3 5089 B17R2.5744 CCCNCc1ccccc1c2ccco2 34a_100161156520_100000210303 [0,2,0,0,0,0|0,1,0]=3 5090 B17R2.5744 CCCNCc1ccccc1c2cccs2 207a_100020643023_200011191916 [0,2,0,0,0,0|0,0,0]=2 5091 B17R2.5744 CCCNCc1ccccc1c2cccs2 270004a_100020643023_200011191916 [0,2,0,0,0,0|0,0,0]=2 5092 B17R2.5744 CCCNCc1ccccc1c2cccs2 271570a_100000742291_100000196483 [0,2,0,0,0,0|0,0,0]=2 5093 B17R2.5744 CCCNCc1ccccc1c2cccs2 34a_100016995785_100000210303 [0,2,0,0,0,0|0,0,0]=2 5094 B17R2.5744 CCCNCc1ccccc1c2ccoc2 271570a_100011218838_100000196483 [0,2,0,0,0,0|2,0,0]=4 5095 B17R2.5744 CCCNCc1ccccc1c2ccsc2 207a_100020643023_200011217932 [0,2,0,0,0,0|2,0,0]=4 5096 B17R2.5744 CCCNCc1ccccc1c2ccsc2 270004a_100020643023_200011217932 [0,2,0,0,0,0|2,0,0]=4 5097 B17R2.5744 CCCNCc1ccccc1c2ccsc2 271570a_100011934443_100000196483 [0,2,0,0,0,0|2,0,0]=4 5098 B17R2.5744 CCCNCc1ccccc1c2cncs2 271570a_100010231675_100000196483 [0,2,0,0,0,0|1,0,0]=3 5099 B17R2.5744 CCCNCc1ccccc1c2ncc[nH]2 271570a_100016988920_100000196483 [0,2,0,0,0,0|2,0,0]=4 5100 B17R2.5744 CCCNCc1ccccc1c2nccs2 207a_100020643023_100000068343 [0,2,0,0,0,0|1,0,0]=3 5101 B17R2.5744 CCCNCc1ccccc1c2nccs2 270004a_100020643023_100000068343 [0,2,0,0,0,0|1,0,0]=3 5102 B17R2.5744 CCCNCc1ccccc1n2cccc2 207a_100020643023_100000050373 [0,2,0,0,0,0|2,0,0]=4 5103 B17R2.5744 CCCNCc1ccccc1n2cccc2 270004a_100020643023_100000050373 [0,2,0,0,0,0|2,0,0]=4 5104 B17R2.5744 CCCNCc1ccccc1n2cccn2 207a_100020643023_100102946334 [0,2,0,0,0,0|2,0,0]=4 5105 B17R2.5744 CCCNCc1ccccc1n2cccn2 270004a_100020643023_100102946334 [0,2,0,0,0,0|2,0,0]=4 5106 B17R2.5744 CCCNCc1ccccc1n2cccn2 34a_100000743937_100000210303 [0,2,0,0,0,0|2,0,0]=4 5107 B17R2.5744 CCCOCc1ccccc1c2ccco2 34a_100000067684_100000210303 [0,2,0,0,0,0|1,1,0]=4 5108 B17R2.5744 CCCOCc1ccccc1c2ccco2 7a_100000067684_100000210303 [0,2,0,0,0,0|1,1,0]=4 5109 B17R2.5744 CCCOCc1ccccc1c2cccs2 34a_100000067680_100000210303 [0,2,0,0,0,0|1,0,0]=3 5110 B17R2.5744 CCCOCc1ccccc1c2cccs2 7a_100000067680_100000210303 [0,2,0,0,0,0|1,0,0]=3 5111 B17R2.5744 CCCSCc1ccccc1c2ccco2 271570a_100000750936_200000173363 [0,2,0,0,0,0|1,1,0]=4 5112 B17R2.5744 CCCSCc1ccccc1c2cncs2 271570a_100010231675_200000173363 [0,2,0,0,0,0|2,0,0]=4 5113 B17R2.5744 CCNN=Cc1ccccc1c2ccco2 4a_100000756455_100011217036 [0,2,0,0,0,0|0,1,1]=4 5114 B17R2.5744 CCNN=Cc1ccccc1c2cccs2 4a_100000756455_200011191916 [0,2,0,0,0,0|0,0,1]=3 5115 B17R2.5744 CCNN=Cc1ccccc1c2nccs2 4a_100000756455_100000068343 [0,2,0,0,0,0|1,0,1]=4 5116 B17R2.5744 CCOCSc1ccccc1c2nccs2 62a_100000739092_103496549459 [0,2,0,0,0,0|2,0,0]=4 5117 B17R2.5744 CCOCSc1ccccc1c2nccs2 62a_103496549459_100000739092 [0,2,0,0,0,0|2,0,0]=4 5118 B17R2.5744 COCC=Cc1ccccc1c2nccs2 271570a_100016286323_103496549459 [0,2,0,0,0,0|2,0,0]=4 5119 B17R2.5744 COCCNc1ccccc1c2ccco2 34a_200020605208_100011201679 [0,2,0,0,0,0|1,1,0]=4 5120 B17R2.5744 COCCOc1ccccc1c2ccco2 271570a_100000750936_100000234100 [0,2,0,0,0,0|1,1,0]=4 5121 B17R2.5744 COCCOc1ccccc1c2ccco2 271570a_100011263027_100009814098 [0,2,0,0,0,0|1,1,0]=4 5122 B17R2.5744 COCCOc1ccccc1c2cccs2 271570a_100000742291_100000234100 [0,2,0,0,0,0|1,0,0]=3 5123 B17R2.5744 COCCOc1ccccc1c2cccs2 271570a_100011263027_100011215356 [0,2,0,0,0,0|1,0,0]=3 5124 B17R2.5744 COCCOc1ccccc1c2cncs2 271570a_100010231675_100000234100 [0,2,0,0,0,0|2,0,0]=4 5125 B17R2.5744 COCCOc1ccccc1c2cncs2 271570a_100011263027_100011934649 [0,2,0,0,0,0|2,0,0]=4 5126 B17R2.5744 COCCOc1ccccc1c2nccs2 271570a_100011263027_100000211983 [0,2,0,0,0,0|2,0,0]=4 5127 B17R2.5744 COCCOc1cnccc1c2cccs2 271570a_200020928353_100011215356 [0,2,0,0,0,0|2,0,0]=4 5128 B17R2.5744 COCCOc1ncccc1c2cccs2 271570a_100000742291_100000754258 [0,2,0,0,0,0|2,0,0]=4 5129 B17R2.5744 COCCSc1ccccc1c2ccco2 271570a_100000750936_200016336083 [0,2,0,0,0,0|1,1,0]=4 5130 B17R2.5744 COCCSc1ccccc1c2cccs2 271570a_100000742291_200016336083 [0,2,0,0,0,0|1,0,0]=3 5131 B17R2.5744 COCCSc1ccccc1c2cncs2 271570a_100010231675_200016336083 [0,2,0,0,0,0|2,0,0]=4 5132 B17R2.5744 COCCSc1ccccc1c2nccs2 62a_100000233755_103496549459 [0,2,0,0,0,0|2,0,0]=4 5133 B17R2.5744 COCCSc1ccccc1c2nccs2 62a_103496549459_100000233755 [0,2,0,0,0,0|2,0,0]=4 5134 B17R2.5744 CSCCNc1ccccc1c2ccco2 34a_200020605208_100000212216 [0,2,0,0,0,0|1,1,0]=4 5135 B17R2.5744 CSCCSc1ccccc1c2nccs2 62a_100000212216_103496549459 [0,2,0,0,0,0|2,0,0]=4 5136 B17R2.5744 CSCCSc1ccccc1c2nccs2 62a_103496549459_100000751147 [0,2,0,0,0,0|2,0,0]=4 5137 B17R2.5744 CSCNCc1ccccc1c2ccco2 34a_100161156520_100011218213 [0,2,0,0,0,0|0,1,0]=3 5138 B17R2.5744 CSCNCc1ccccc1c2cccs2 34a_100016995785_100011218213 [0,2,0,0,0,0|0,0,0]=2 5139 B17R2.5744 CSCNCc1ccccc1n2cccn2 34a_100000743937_100011218213 [0,2,0,0,0,0|2,0,0]=4 5140 B17R2.5744 CSCOCc1ccccc1c2ccco2 34a_100000067684_100011218213 [0,2,0,0,0,0|1,1,0]=4 5141 B17R2.5744 CSCOCc1ccccc1c2cccs2 34a_100000067680_100011218213 [0,2,0,0,0,0|1,0,0]=3 5142 B17R2.5744 FCCCNc1ccccc1c2ccco2 34a_200020605208_100011934791 [0,2,0,0,0,0|1,1,0]=4 5143 B17R2.5744 FCCCSc1ccccc1c2nccs2 62a_100011934791_103496549459 [0,2,0,0,0,0|2,0,0]=4 5144 B17R2.5744 FCCCSc1ccccc1c2nccs2 62a_103496549459_100011934791 [0,2,0,0,0,0|2,0,0]=4 5145 B17R2.5744 FCCNCc1ccccc1c2ccco2 34a_100161156520_100011217306 [0,2,0,0,0,0|0,1,0]=3 5146 B17R2.5744 FCCNCc1ccccc1c2cccs2 34a_100016995785_100011217306 [0,2,0,0,0,0|0,0,0]=2 5147 B17R2.5744 FCCNCc1ccccc1n2cccn2 34a_100000743937_100011217306 [0,2,0,0,0,0|2,0,0]=4 5148 B17R2.5744 FCCOCc1ccccc1c2ccco2 34a_100000067684_100011217306 [0,2,0,0,0,0|1,1,0]=4 5149 B17R2.5744 FCCOCc1ccccc1c2ccco2 7a_100000067684_100011217306 [0,2,0,0,0,0|1,1,0]=4 5150 B17R2.5744 FCCOCc1ccccc1c2cccs2 34a_100000067680_100011217306 [0,2,0,0,0,0|1,0,0]=3 5151 B17R2.5744 FCCOCc1ccccc1c2cccs2 7a_100000067680_100011217306 [0,2,0,0,0,0|1,0,0]=3 5152 B17R2.5744 N#CCOCc1ccccc1c2ccco2 7a_100000067684_100011215382 [0,2,0,0,0,0|1,1,0]=4 5153 B17R2.5744 N#CCOCc1ccccc1c2cccs2 7a_100000067680_100011215382 [0,2,0,0,0,0|1,0,0]=3 5154 B17R2.5744 O=CCNCc1ccccc1c2ccco2 34a_100161156520_200009817547 [0,2,0,0,0,0|0,1,0]=3 5155 B17R2.5744 O=CCNCc1ccccc1c2cccs2 34a_100016995785_200009817547 [0,2,0,0,0,0|0,0,0]=2 5156 B17R2.5744 O=CCNCc1ccccc1n2cccn2 34a_100000743937_200009817547 [0,2,0,0,0,0|2,0,0]=4 5157 B17R2.5744 O=CCOCc1ccccc1c2ccco2 34a_100000067684_200009817547 [0,2,0,0,0,0|1,1,0]=4 5158 B17R2.5744 O=CCOCc1ccccc1c2ccco2 7a_100000067684_200015260668 [0,2,0,0,0,0|1,1,0]=4 5159 B17R2.5744 O=CCOCc1ccccc1c2cccs2 34a_100000067680_200009817547 [0,2,0,0,0,0|1,0,0]=3 5160 B17R2.5744 O=CCOCc1ccccc1c2cccs2 7a_100000067680_200015260668 [0,2,0,0,0,0|1,0,0]=3 5161 B17R2.5744 OCCCCc1ccccc1c2ccco2 271570a_100000750936_100012092669 [0,2,0,0,0,0|1,1,0]=4 5162 B17R2.5744 OCCCCc1ccccc1c2cccs2 271570a_100000742291_100012092669 [0,2,0,0,0,0|1,0,0]=3 5163 B17R2.5744 OCCCCc1ccccc1c2cncs2 271570a_100010231675_100012092669 [0,2,0,0,0,0|2,0,0]=4 5164 B17R2.5744 OCCCNc1ccccc1c2ccco2 34a_200020605208_100000230001 [0,2,0,0,0,0|1,1,0]=4 5165 B17R2.5744 OCCCSc1ccccc1c2nccs2 62a_100011215043_103496549459 [0,2,0,0,0,0|2,0,0]=4 5166 B17R2.5744 OCCCSc1ccccc1c2nccs2 62a_103496549459_100011215043 [0,2,0,0,0,0|2,0,0]=4 5167 B17R2.5744 OCCNCc1ccccc1c2cc[nH]c2 271570a_100000102155_106744479749 [0,2,0,0,0,0|2,0,0]=4 5168 B17R2.5744 OCCNCc1ccccc1c2cc[nH]n2 271570a_100000062414_106744479749 [0,2,0,0,0,0|2,0,0]=4 5169 B17R2.5744 OCCNCc1ccccc1c2ccco2 207a_100000210304_100011217036 [0,2,0,0,0,0|0,1,0]=3 5170 B17R2.5744 OCCNCc1ccccc1c2ccco2 270004a_100000210304_100011217036 [0,2,0,0,0,0|0,1,0]=3 5171 B17R2.5744 OCCNCc1ccccc1c2ccco2 271570a_100000750936_106744479749 [0,2,0,0,0,0|0,1,0]=3 5172 B17R2.5744 OCCNCc1ccccc1c2ccco2 34a_100161156520_100000211926 [0,2,0,0,0,0|0,1,0]=3 5173 B17R2.5744 OCCNCc1ccccc1c2cccs2 207a_100000210304_200011191916 [0,2,0,0,0,0|0,0,0]=2 5174 B17R2.5744 OCCNCc1ccccc1c2cccs2 270004a_100000210304_200011191916 [0,2,0,0,0,0|0,0,0]=2 5175 B17R2.5744 OCCNCc1ccccc1c2cccs2 271570a_100000742291_106744479749 [0,2,0,0,0,0|0,0,0]=2 5176 B17R2.5744 OCCNCc1ccccc1c2cccs2 34a_100016995785_100000211926 [0,2,0,0,0,0|0,0,0]=2 5177 B17R2.5744 OCCNCc1ccccc1c2ccoc2 271570a_100011218838_106744479749 [0,2,0,0,0,0|2,0,0]=4 5178 B17R2.5744 OCCNCc1ccccc1c2ccsc2 207a_100000210304_200011217932 [0,2,0,0,0,0|2,0,0]=4 5179 B17R2.5744 OCCNCc1ccccc1c2ccsc2 270004a_100000210304_200011217932 [0,2,0,0,0,0|2,0,0]=4 5180 B17R2.5744 OCCNCc1ccccc1c2ccsc2 271570a_100011934443_106744479749 [0,2,0,0,0,0|2,0,0]=4 5181 B17R2.5744 OCCNCc1ccccc1c2cncs2 271570a_100010231675_106744479749 [0,2,0,0,0,0|1,0,0]=3 5182 B17R2.5744 OCCNCc1ccccc1c2ncc[nH]2 271570a_100016988920_106744479749 [0,2,0,0,0,0|2,0,0]=4 5183 B17R2.5744 OCCNCc1ccccc1c2nccs2 207a_100000210304_100000068343 [0,2,0,0,0,0|1,0,0]=3 5184 B17R2.5744 OCCNCc1ccccc1c2nccs2 270004a_100000210304_100000068343 [0,2,0,0,0,0|1,0,0]=3 5185 B17R2.5744 OCCNCc1ccccc1n2cccc2 207a_100000210304_100000050373 [0,2,0,0,0,0|2,0,0]=4 5186 B17R2.5744 OCCNCc1ccccc1n2cccc2 270004a_100000210304_100000050373 [0,2,0,0,0,0|2,0,0]=4 5187 B17R2.5744 OCCNCc1ccccc1n2cccn2 207a_100000210304_100102946334 [0,2,0,0,0,0|2,0,0]=4 5188 B17R2.5744 OCCNCc1ccccc1n2cccn2 270004a_100000210304_100102946334 [0,2,0,0,0,0|2,0,0]=4 5189 B17R2.5744 OCCNCc1ccccc1n2cccn2 34a_100000743937_100000211926 [0,2,0,0,0,0|2,0,0]=4 5190 B17R2.5744 OCCOCc1ccccc1c2ccco2 34a_100000067684_100000211926 [0,2,0,0,0,0|1,1,0]=4 5191 B17R2.5744 OCCOCc1ccccc1c2ccco2 7a_100000067684_100000211926 [0,2,0,0,0,0|1,1,0]=4 5192 B17R2.5744 OCCOCc1ccccc1c2cccs2 34a_100000067680_100000211926 [0,2,0,0,0,0|1,0,0]=3 5193 B17R2.5744 OCCOCc1ccccc1c2cccs2 7a_100000067680_100000211926 [0,2,0,0,0,0|1,0,0]=3 5194 B17R2.6147 C#CCC(=O)c1ccccc1c2cccs2 1458a_100011191954_100000184674 [0,2,0,0,0,0|1,0,1]=4 5195 B17R2.6147 C=CCC(=O)c1ccccc1c2cccs2 1458a_100011191954_100000210623 [0,2,0,0,0,0|1,0,1]=4 5196 B17R2.6147 CCCC(=O)c1ccccc1c2ccco2 1458a_100011217322_100000210303 [0,2,0,0,0,0|1,1,0]=4 5197 B17R2.6147 CCCC(=O)c1ccccc1c2cccs2 1458a_100011191954_100000210303 [0,2,0,0,0,0|1,0,0]=3 5198 B17R2.6147 CCNC(=O)c1ccccc1c2ccco2 11a_100015525214_100011217322 [0,2,0,0,0,0|0,1,1]=4 5199 B17R2.6147 CCNC(=O)c1ccccc1c2ccco2 240690a_100015525214_100011217322 [0,2,0,0,0,0|0,1,1]=4 5200 B17R2.6147 CCNC(=O)c1ccccc1c2ccco2 271570a_100000750936_200000155173 [0,2,0,0,0,0|0,1,1]=4 5201 B17R2.6147 CCNC(=O)c1ccccc1c2ccco2 527a_100015525214_100011217322 [0,2,0,0,0,0|0,1,1]=4 5202 B17R2.6147 CCNC(=O)c1ccccc1c2cccs2 11a_100015525214_100011191954 [0,2,0,0,0,0|0,0,1]=3 5203 B17R2.6147 CCNC(=O)c1ccccc1c2cccs2 240690a_100015525214_100011191954 [0,2,0,0,0,0|0,0,1]=3 5204 B17R2.6147 CCNC(=O)c1ccccc1c2cccs2 271570a_100000742291_200000155173 [0,2,0,0,0,0|0,0,1]=3 5205 B17R2.6147 CCNC(=O)c1ccccc1c2cncs2 271570a_100010231675_200000155173 [0,2,0,0,0,0|1,0,1]=4 5206 B17R2.6147 CCNC(=O)c1cccnc1c2cccs2 271570a_100000742291_100000160120 [0,2,0,0,0,0|1,0,1]=4 5207 B17R2.6147 CCNC(C)c1ccccc1n2cccn2 2230a_100000687930_100000210202 [0,2,0,0,0,0|2,0,0]=4 5208 B17R2.6147 CCOC(=O)c1ccccc1c2cccs2 271570a_100000040580_100011215356 [0,2,0,0,0,0|1,0,1]=4 5209 B17R2.6147 CCOC(=O)c1ccccc1c2cccs2 271570a_100000742291_100000169879 [0,2,0,0,0,0|1,0,1]=4 5210 B17R2.6147 CNNC(=O)c1ccccc1c2ccco2 22a_100016993582_100011217322 [0,2,0,0,0,0|0,1,1]=4 5211 B17R2.6147 CNNC(=O)c1ccccc1c2cccs2 22a_100016993582_100011191954 [0,2,0,0,0,0|0,0,1]=3 5212 B17R2.6147 N#CCC(=O)c1ccccc1c2cccs2 1458a_100011191954_100011214920 [0,2,0,0,0,0|2,0,0]=4 5213 B17R2.6147 N#CCC(=O)c1ccccc1c2cccs2 271570a_100000742291_100011225204 [0,2,0,0,0,0|2,0,0]=4 5214 B17R2.6147 O=C(CCF)c1ccccc1c2cccs2 1458a_100011191954_100011217306 [0,2,0,0,0,0|1,0,1]=4 5215 B17R2.6147 O=C(CCO)c1ccccc1c2cccs2 1458a_100011191954_100000211926 [0,2,0,0,0,0|1,0,1]=4 5216 B17R2.11175 CCCOc1ccc(cc1c2ccco2)C 271570a_200011263117_100009814098 [0,2,0,0,0,0|1,1,0]=4 5217 B17R2.11175 CCCOc1ccc(cc1c2ccco2)Cl 271570a_100000049426_100009814098 [0,2,0,0,0,0|1,1,0]=4 5218 B17R2.11175 CCCOc1ccc(cc1c2ccco2)F 271570a_100000750936_200000171698 [0,2,0,0,0,0|1,1,0]=4 5219 B17R2.11175 CCCOc1ccc(cc1c2ccco2)F 271570a_200011263143_100009814098 [0,2,0,0,0,0|1,1,0]=4 5220 B17R2.11175 CCCOc1ccc(cc1c2cccs2)C 271570a_200011263117_100011215356 [0,2,0,0,0,0|1,0,0]=3 5221 B17R2.11175 CCCOc1ccc(cc1c2cccs2)Cl 271570a_100000049426_100011215356 [0,2,0,0,0,0|1,0,0]=3 5222 B17R2.11175 CCCOc1ccc(cc1c2cccs2)F 271570a_100000742291_200000171698 [0,2,0,0,0,0|1,0,0]=3 5223 B17R2.11175 CCCOc1ccc(cc1c2cccs2)F 271570a_200011263143_100011215356 [0,2,0,0,0,0|1,0,0]=3 5224 B17R2.11175 CCCOc1ccc(cc1c2cncs2)C 271570a_200011263117_100011934649 [0,2,0,0,0,0|2,0,0]=4 5225 B17R2.11175 CCCOc1ccc(cc1c2cncs2)Cl 271570a_100000049426_100011934649 [0,2,0,0,0,0|2,0,0]=4 5226 B17R2.11175 CCCOc1ccc(cc1c2cncs2)F 271570a_100010231675_200000171698 [0,2,0,0,0,0|2,0,0]=4 5227 B17R2.11175 CCCOc1ccc(cc1c2cncs2)F 271570a_200011263143_100011934649 [0,2,0,0,0,0|2,0,0]=4 5228 B17R2.11175 CCCOc1ccc(cc1c2nccs2)C 271570a_200011263117_100000211983 [0,2,0,0,0,0|2,0,0]=4 5229 B17R2.11175 CCCOc1ccc(cc1c2nccs2)Cl 271570a_100000049426_100000211983 [0,2,0,0,0,0|2,0,0]=4 5230 B17R2.11175 CCCOc1ccc(cc1c2nccs2)F 271570a_200011263143_100000211983 [0,2,0,0,0,0|2,0,0]=4 5231 B17R2.11175 CCCOc1ncc(cc1c2cccs2)C 271570a_100000742291_100013847041 [0,2,0,0,0,0|2,0,0]=4 5232 B17R2.11175 CCCOc1ncc(cc1c2cccs2)C 271570a_200000144084_100011215356 [0,2,0,0,0,0|2,0,0]=4 5233 B17R2.11175 COCOc1ccc(cc1c2ccco2)C 271570a_100000750936_100012265689 [0,2,0,0,0,0|1,1,0]=4 5234 B17R2.11175 COCOc1ccc(cc1c2ccco2)C 271570a_200012017689_100009814098 [0,2,0,0,0,0|1,1,0]=4 5235 B17R2.11175 COCOc1ccc(cc1c2ccco2)Cl 271570a_200010245872_100009814098 [0,2,0,0,0,0|1,1,0]=4 5236 B17R2.11175 COCOc1ccc(cc1c2ccco2)F 271570a_100012617818_100009814098 [0,2,0,0,0,0|1,1,0]=4 5237 B17R2.11175 COCOc1ccc(cc1c2cccs2)C 271570a_100000742291_100012265689 [0,2,0,0,0,0|1,0,0]=3 5238 B17R2.11175 COCOc1ccc(cc1c2cccs2)C 271570a_200012017689_100011215356 [0,2,0,0,0,0|1,0,0]=3 5239 B17R2.11175 COCOc1ccc(cc1c2cccs2)Cl 271570a_200010245872_100011215356 [0,2,0,0,0,0|1,0,0]=3 5240 B17R2.11175 COCOc1ccc(cc1c2cccs2)F 271570a_100012617818_100011215356 [0,2,0,0,0,0|1,0,0]=3 5241 B17R2.11175 COCOc1ccc(cc1c2cncs2)C 271570a_100010231675_100012265689 [0,2,0,0,0,0|2,0,0]=4 5242 B17R2.11175 COCOc1ccc(cc1c2cncs2)C 271570a_200012017689_100011934649 [0,2,0,0,0,0|2,0,0]=4 5243 B17R2.11175 COCOc1ccc(cc1c2cncs2)Cl 271570a_200010245872_100011934649 [0,2,0,0,0,0|2,0,0]=4 5244 B17R2.11175 COCOc1ccc(cc1c2cncs2)F 271570a_100012617818_100011934649 [0,2,0,0,0,0|2,0,0]=4 5245 B17R2.11175 COCOc1ccc(cc1c2nccs2)C 271570a_200012017689_100000211983 [0,2,0,0,0,0|2,0,0]=4 5246 B17R2.11175 COCOc1ccc(cc1c2nccs2)Cl 271570a_200010245872_100000211983 [0,2,0,0,0,0|2,0,0]=4 5247 B17R2.11175 COCOc1ccc(cc1c2nccs2)F 271570a_100012617818_100000211983 [0,2,0,0,0,0|2,0,0]=4 5248 B17R2.11175 COCOc1cnc(cc1c2cccs2)F 271570a_100000742291_100010372047 [0,2,0,0,0,0|2,0,0]=4 5249 B17R2.11175 Cc1ccc(c(c1)c2cccs2)OCCN 271570a_100000742291_100025744979 [0,2,0,0,0,0|2,0,0]=4 5250 B17R2.50584 CCNCc1c(cccc1c2c[nH]cn2)Cl 271570a_100010264467_100000756875 [0,2,0,0,0,0|2,0,0]=4 5251 B17R2.50584 CCNCc1c(cccc1c2c[nH]cn2)F 271570a_100010286440_100000756875 [0,2,0,0,0,0|2,0,0]=4 5252 B17R2.50584 CCNCc1c(cccc1c2cc[nH]n2)Cl 271570a_100010264467_100000062575 [0,2,0,0,0,0|2,0,0]=4 5253 B17R2.50584 CCNCc1c(cccc1c2cc[nH]n2)F 271570a_100010286440_100000062575 [0,2,0,0,0,0|2,0,0]=4 5254 B17R2.50584 CCNCc1c(cccc1c2ccco2)Cl 271570a_100010264467_100009814098 [0,2,0,0,0,0|0,1,0]=3 5255 B17R2.50584 CCNCc1c(cccc1c2ccco2)F 271570a_100010286440_100009814098 [0,2,0,0,0,0|0,1,0]=3 5256 B17R2.50584 CCNCc1c(cccc1c2cccs2)Cl 271570a_100010264467_100011215356 [0,2,0,0,0,0|0,0,0]=2 5257 B17R2.50584 CCNCc1c(cccc1c2cccs2)F 271570a_100010286440_100011215356 [0,2,0,0,0,0|0,0,0]=2 5258 B17R2.50584 CCNCc1c(cccc1c2ccoc2)Cl 271570a_100010264467_100011215275 [0,2,0,0,0,0|2,0,0]=4 5259 B17R2.50584 CCNCc1c(cccc1c2ccoc2)F 271570a_100010286440_100011215275 [0,2,0,0,0,0|2,0,0]=4 5260 B17R2.50584 CCNCc1c(cccc1c2ccsc2)Cl 271570a_100010264467_100000738268 [0,2,0,0,0,0|2,0,0]=4 5261 B17R2.50584 CCNCc1c(cccc1c2ccsc2)F 271570a_100010286440_100000738268 [0,2,0,0,0,0|2,0,0]=4 5262 B17R2.50584 CCNCc1c(cccc1c2ccsn2)Cl 271570a_100010264467_100009818082 [0,2,0,0,0,0|2,0,0]=4 5263 B17R2.50584 CCNCc1c(cccc1c2ccsn2)F 271570a_100010286440_100009818082 [0,2,0,0,0,0|2,0,0]=4 5264 B17R2.50584 CCNCc1c(cccc1c2cnco2)Cl 271570a_100010264467_100020591547 [0,2,0,0,0,0|1,1,0]=4 5265 B17R2.50584 CCNCc1c(cccc1c2cnco2)F 271570a_100010286440_100020591547 [0,2,0,0,0,0|1,1,0]=4 5266 B17R2.50584 CCNCc1c(cccc1c2cncs2)Cl 271570a_100010264467_100011934649 [0,2,0,0,0,0|1,0,0]=3 5267 B17R2.50584 CCNCc1c(cccc1c2cncs2)F 271570a_100010286440_100011934649 [0,2,0,0,0,0|1,0,0]=3 5268 B17R2.50584 CCNCc1c(cccc1c2cscn2)Cl 271570a_100010264467_100000751502 [0,2,0,0,0,0|2,0,0]=4 5269 B17R2.50584 CCNCc1c(cccc1c2cscn2)F 271570a_100010286440_100000751502 [0,2,0,0,0,0|2,0,0]=4 5270 B17R2.50584 CCNCc1c(cccc1c2ncc[nH]2)Cl 271570a_100010264467_100025796157 [0,2,0,0,0,0|2,0,0]=4 5271 B17R2.50584 CCNCc1c(cccc1c2ncc[nH]2)F 271570a_100010286440_100025796157 [0,2,0,0,0,0|2,0,0]=4 5272 B17R2.50584 CCNCc1c(cccc1c2ncco2)Cl 271570a_100010264467_100011787736 [0,2,0,0,0,0|1,1,0]=4 5273 B17R2.50584 CCNCc1c(cccc1c2ncco2)F 271570a_100010286440_100011787736 [0,2,0,0,0,0|1,1,0]=4 5274 B17R2.50584 CCNCc1c(cccc1c2nccs2)Cl 271570a_100010264467_100000211983 [0,2,0,0,0,0|1,0,0]=3 5275 B17R2.50584 CCNCc1c(cccc1c2nccs2)F 271570a_100010286440_100000211983 [0,2,0,0,0,0|1,0,0]=3 5276 B17R2.50584 CCNCc1c(cccc1c2ncns2)Cl 271570a_100010264467_100000693119 [0,2,0,0,0,0|2,0,0]=4 5277 B17R2.50584 CCNCc1c(cccc1c2ncns2)F 271570a_100010286440_100000693119 [0,2,0,0,0,0|2,0,0]=4 5278 B17R2.50584 CCNCc1c(cccc1c2nncs2)Cl 271570a_100010264467_100000739804 [0,2,0,0,0,0|2,0,0]=4 5279 B17R2.50584 CCNCc1c(cccc1c2nncs2)F 271570a_100010286440_100000739804 [0,2,0,0,0,0|2,0,0]=4 5280 B17R2.50584 COCOc1c(cccc1c2ccco2)C 271570a_200010752202_100009814098 [0,2,0,0,0,0|1,1,0]=4 5281 B17R2.50584 COCOc1c(cccc1c2cccs2)C 271570a_200010752202_100011215356 [0,2,0,0,0,0|1,0,0]=3 5282 B17R2.50584 COCOc1c(cccc1c2cncs2)C 271570a_200010752202_100011934649 [0,2,0,0,0,0|2,0,0]=4 5283 B17R2.50584 COCOc1c(cccc1c2nccs2)C 271570a_200010752202_100000211983 [0,2,0,0,0,0|2,0,0]=4 5284 B17R2.50584 OCCCc1c(cccc1c2ccco2)F 271570a_100000750936_100021413403 [0,2,0,0,0,0|1,1,0]=4 5285 B17R2.50584 OCCCc1c(cccc1c2cccs2)F 271570a_100000742291_100021413403 [0,2,0,0,0,0|1,0,0]=3 5286 B17R2.50584 OCCCc1c(cccc1c2cncs2)F 271570a_100010231675_100021413403 [0,2,0,0,0,0|2,0,0]=4 5287 B17R2.3475 CC(=O)Nc1ccc(cc1c2cccs2)Br 271570a_100000742291_100009813020 [0,2,0,0,0,0|2,0,0]=4 5288 B17R2.3475 CC(=O)Nc1ccc(cc1c2cccs2)C 271570a_100000742291_100000152032 [0,2,0,0,0,0|2,0,0]=4 5289 B17R2.3475 CC(=O)Nc1ccc(cc1c2cccs2)Cl 271570a_200010239567_100011215356 [0,2,0,0,0,0|2,0,0]=4 5290 B17R2.3475 CC(=O)Nc1ccc(cc1c2cccs2)F 271570a_100000742291_100011215554 [0,2,0,0,0,0|2,0,0]=4 5291 B17R2.3475 CC(C)Oc1ccc(cc1c2cccs2)Cl 271570a_100000068351_100011215356 [0,2,0,0,0,0|2,0,0]=4 5292 B17R2.3475 CC(C)Oc1ccc(cc1c2cccs2)F 271570a_100000742291_100000171696 [0,2,0,0,0,0|2,0,0]=4 5293 B17R2.3475 CC(C)Oc1ccc(cc1c2cccs2)F 271570a_200011263142_100011215356 [0,2,0,0,0,0|2,0,0]=4 5294 B17R2.3475 CC(C)Oc1ccc(cc1c2cccs2)N 271570a_100000742291_200000706018 [0,2,0,0,0,0|2,0,0]=4 5295 B17R2.3475 CN(C)Cc1ccc(cc1c2c[nH]cn2)F 271570a_100012343316_100000756875 [0,2,0,0,0,0|2,0,0]=4 5296 B17R2.3475 CN(C)Cc1ccc(cc1c2cc[nH]n2)F 271570a_100012343316_100000062575 [0,2,0,0,0,0|2,0,0]=4 5297 B17R2.3475 CN(C)Cc1ccc(cc1c2ccco2)F 271570a_100012343316_100009814098 [0,2,0,0,0,0|0,1,0]=3 5298 B17R2.3475 CN(C)Cc1ccc(cc1c2cccs2)F 271570a_100012343316_100011215356 [0,2,0,0,0,0|0,0,0]=2 5299 B17R2.3475 CN(C)Cc1ccc(cc1c2ccoc2)F 271570a_100012343316_100011215275 [0,2,0,0,0,0|2,0,0]=4 5300 B17R2.3475 CN(C)Cc1ccc(cc1c2ccsc2)F 271570a_100012343316_100000738268 [0,2,0,0,0,0|2,0,0]=4 5301 B17R2.3475 CN(C)Cc1ccc(cc1c2ccsn2)F 271570a_100012343316_100009818082 [0,2,0,0,0,0|2,0,0]=4 5302 B17R2.3475 CN(C)Cc1ccc(cc1c2cnco2)F 271570a_100012343316_100020591547 [0,2,0,0,0,0|1,1,0]=4 5303 B17R2.3475 CN(C)Cc1ccc(cc1c2cncs2)F 271570a_100012343316_100011934649 [0,2,0,0,0,0|1,0,0]=3 5304 B17R2.3475 CN(C)Cc1ccc(cc1c2cscn2)F 271570a_100012343316_100000751502 [0,2,0,0,0,0|2,0,0]=4 5305 B17R2.3475 CN(C)Cc1ccc(cc1c2ncc[nH]2)F 271570a_100012343316_100025796157 [0,2,0,0,0,0|2,0,0]=4 5306 B17R2.3475 CN(C)Cc1ccc(cc1c2ncco2)F 271570a_100012343316_100011787736 [0,2,0,0,0,0|1,1,0]=4 5307 B17R2.3475 CN(C)Cc1ccc(cc1c2nccs2)F 271570a_100012343316_100000211983 [0,2,0,0,0,0|1,0,0]=3 5308 B17R2.3475 CN(C)Cc1ccc(cc1c2ncns2)F 271570a_100012343316_100000693119 [0,2,0,0,0,0|2,0,0]=4 5309 B17R2.3475 CN(C)Cc1ccc(cc1c2nncs2)F 271570a_100012343316_100000739804 [0,2,0,0,0,0|2,0,0]=4 5310 B17R2.3475 Cc1ccc(c(c1)c2cccs2)OC(C)C 271570a_200011263116_100011215356 [0,2,0,0,0,0|2,0,0]=4 5311 B17R2.3484 CC(=O)Nc1cc(ccc1c2cccs2)C 271570a_100000742291_100000182586 [0,2,0,0,0,0|2,0,0]=4 5312 B17R2.3484 CC(=O)Nc1cc(ccc1c2cccs2)F 271570a_100000742291_100012558231 [0,2,0,0,0,0|2,0,0]=4 5313 B17R2.3484 CC(=O)Nc1cc(ccc1c2cccs2)F 271570a_100010254655_100011215356 [0,2,0,0,0,0|2,0,0]=4 5314 B17R2.3484 CC(=O)Oc1cc(ccc1c2cccs2)F 271570a_100000742291_200015685721 [0,2,0,0,0,0|2,0,0]=4 5315 B17R2.3484 CC(C)Oc1cc(ccc1c2cccs2)Cl 271570a_200010090704_100011215356 [0,2,0,0,0,0|2,0,0]=4 5316 B17R2.3484 CC(C)Oc1cc(ccc1c2cccs2)F 271570a_100000742291_200012359391 [0,2,0,0,0,0|2,0,0]=4 5317 B17R2.3484 CC(C)Oc1cc(ccc1c2cccs2)F 271570a_200011356782_100011215356 [0,2,0,0,0,0|2,0,0]=4 5318 B17R2.3484 CN(C)Cc1cc(ccc1c2cc[nH]c2)O 271570a_100000102155_100011934597 [0,2,0,0,0,0|2,0,0]=4 5319 B17R2.3484 CN(C)Cc1cc(ccc1c2cc[nH]n2)O 271570a_100000062414_100011934597 [0,2,0,0,0,0|2,0,0]=4 5320 B17R2.3484 CN(C)Cc1cc(ccc1c2ccco2)O 271570a_100000750936_100011934597 [0,2,0,0,0,0|0,1,0]=3 5321 B17R2.3484 CN(C)Cc1cc(ccc1c2cccs2)O 271570a_100000742291_100011934597 [0,2,0,0,0,0|0,0,0]=2 5322 B17R2.3484 CN(C)Cc1cc(ccc1c2ccoc2)O 271570a_100011218838_100011934597 [0,2,0,0,0,0|2,0,0]=4 5323 B17R2.3484 CN(C)Cc1cc(ccc1c2ccsc2)O 271570a_100011934443_100011934597 [0,2,0,0,0,0|2,0,0]=4 5324 B17R2.3484 CN(C)Cc1cc(ccc1c2cncs2)O 271570a_100010231675_100011934597 [0,2,0,0,0,0|1,0,0]=3 5325 B17R2.3484 CN(C)Cc1cc(ccc1c2ncc[nH]2)O 271570a_100016988920_100011934597 [0,2,0,0,0,0|2,0,0]=4 5326 B17R2.3484 CN(C)Cc1cc(ccc1n2cccn2)F 270004a_100102631434_200011291332 [0,2,0,0,0,0|2,0,0]=4 5327 B17R2.3540 CC(=O)Cc1ccccc1c2cccn2C 271570a_100000068268_100011350739 [0,2,0,0,0,0|2,0,0]=4 5328 B17R2.3540 CC(=O)Cc1ccccc1c2sccc2C 271570a_100000734444_100011350739 [0,2,0,0,0,0|1,0,0]=3 5329 B17R2.3540 CC(=O)Cc1ccccc1c2scnc2C 271570a_100010115231_100011350739 [0,2,0,0,0,0|2,0,0]=4 5330 B17R2.3540 CC(=O)Nc1ccccc1c2sccc2Br 271570a_100000043321_100012361411 [0,2,0,0,0,0|2,0,0]=4 5331 B17R2.3540 CC(=O)Nc1ccccc1c2sccc2C 271570a_100000043321_100000742657 [0,2,0,0,0,0|2,0,0]=4 5332 B17R2.3540 CC(=O)Nc1ccccc1c2sccc2C 271570a_100000734444_100000153524 [0,2,0,0,0,0|2,0,0]=4 5333 B17R2.3540 CC(=O)Oc1ccccc1c2sccc2Br 271570a_200000040253_100012361411 [0,2,0,0,0,0|2,0,0]=4 5334 B17R2.3540 CC(=O)Oc1ccccc1c2sccc2C 271570a_100000734444_100000051690 [0,2,0,0,0,0|2,0,0]=4 5335 B17R2.3540 CC(=O)Oc1ccccc1c2sccc2C 271570a_200000040253_100000742657 [0,2,0,0,0,0|2,0,0]=4 5336 B17R2.3540 CC(C)Oc1ccccc1c2sccc2Br 271570a_100011263023_100012361411 [0,2,0,0,0,0|2,0,0]=4 5337 B17R2.3540 CN(C)Cc1ccccc1c2[nH]cnc2Cl 271570a_100012356114_100010200774 [0,2,0,0,0,0|2,0,0]=4 5338 B17R2.3540 CN(C)Cc1ccccc1c2cccn2C 271570a_100000068268_100000174758 [0,2,0,0,0,0|1,0,0]=3 5339 B17R2.3540 CN(C)Cc1ccccc1c2ccnn2C 271570a_100000707534_100000174758 [0,2,0,0,0,0|2,0,0]=4 5340 B17R2.3540 CN(C)Cc1ccccc1c2ccnn2C 271570a_100012356114_100000688441 [0,2,0,0,0,0|2,0,0]=4 5341 B17R2.3540 CN(C)Cc1ccccc1c2ccsc2Cl 271570a_100000117213_100000174758 [0,2,0,0,0,0|2,0,0]=4 5342 B17R2.3540 CN(C)Cc1ccccc1c2cncn2C 271570a_100009892668_100000174758 [0,2,0,0,0,0|2,0,0]=4 5343 B17R2.3540 CN(C)Cc1ccccc1c2cncn2C 271570a_100012356114_100009814087 [0,2,0,0,0,0|2,0,0]=4 5344 B17R2.3540 CN(C)Cc1ccccc1c2cscc2Br 271570a_100012356114_100010143727 [0,2,0,0,0,0|2,0,0]=4 5345 B17R2.3540 CN(C)Cc1ccccc1c2n[nH]cc2Br 271570a_100012356114_100015839836 [0,2,0,0,0,0|2,0,0]=4 5346 B17R2.3540 CN(C)Cc1ccccc1c2n[nH]cc2N 271570a_100012356114_100010894806 [0,2,0,0,0,0|2,0,0]=4 5347 B17R2.3540 CN(C)Cc1ccccc1c2nccn2C 271570a_100012356114_100000707724 [0,2,0,0,0,0|2,0,0]=4 5348 B17R2.3540 CN(C)Cc1ccccc1c2sccc2Br 271570a_100012356114_100012361411 [0,2,0,0,0,0|0,0,0]=2 5349 B17R2.3540 Cc1[nH]cnc1c2ccccc2CN(C)C 271570a_100012356114_100009816806 [0,2,0,0,0,0|2,0,0]=4 5350 B17R2.3540 Cc1c[nH]nc1c2ccccc2CN(C)C 271570a_100012356114_100009871783 [0,2,0,0,0,0|2,0,0]=4 5351 B17R2.3540 Cc1c[nH]nc1c2ccccc2CN(C)C 271570a_100102527747_100000174758 [0,2,0,0,0,0|2,0,0]=4 5352 B17R2.3540 Cc1ccsc1c2ccccc2CC(=O)N 271570a_100000734444_200009814924 [0,2,0,0,0,0|2,0,0]=4 5353 B17R2.3540 Cc1ccsc1c2ccccc2CC(=O)O 271570a_200010239615_100000742657 [0,2,0,0,0,0|2,0,0]=4 5354 B17R2.3540 Cc1ccsc1c2ccccc2CC(C)C 271570a_200010047045_100000742657 [0,2,0,0,0,0|1,0,0]=3 5355 B17R2.3540 Cc1ccsc1c2ccccc2CN(C)C 271570a_100000734444_100000174758 [0,2,0,0,0,0|0,0,0]=2 5356 B17R2.3540 Cc1ccsc1c2ccccc2CN(C)C 271570a_100012356114_100000742657 [0,2,0,0,0,0|0,0,0]=2 5357 B17R2.3540 Cc1ccsc1c2ccccc2NC(C)C 271570a_100000734444_100000219599 [0,2,0,0,0,0|2,0,0]=4 5358 B17R2.3540 Cc1ccsc1c2ccccc2OC(C)C 271570a_100000734444_100000173919 [0,2,0,0,0,0|2,0,0]=4 5359 B17R2.3540 Cc1ccsc1c2ccccc2OC(C)C 271570a_100011263023_100000742657 [0,2,0,0,0,0|2,0,0]=4 5360 B17R2.3540 Cc1cscc1c2ccccc2CN(C)C 271570a_100000069996_100000174758 [0,2,0,0,0,0|2,0,0]=4 5361 B17R2.3540 Cc1cscc1c2ccccc2CN(C)C 271570a_100012356114_100000759966 [0,2,0,0,0,0|2,0,0]=4 5362 B17R2.3540 Cc1ncsc1c2ccccc2CC(C)C 271570a_200010047045_100009817116 [0,2,0,0,0,0|2,0,0]=4 5363 B17R2.3540 Cc1ncsc1c2ccccc2CN(C)C 271570a_100010115231_100000174758 [0,2,0,0,0,0|1,0,0]=3 5364 B17R2.3540 Cc1ncsc1c2ccccc2CN(C)C 271570a_100012356114_100009817116 [0,2,0,0,0,0|1,0,0]=3 5365 B17R2.3540 Cc1occc1c2ccccc2CN(C)C 271570a_100000070625_100000174758 [0,2,0,0,0,0|2,0,0]=4 5366 B17R2.3540 Cc1sccc1c2ccccc2CN(C)C 271570a_100012356114_100000684487 [0,2,0,0,0,0|2,0,0]=4 5367 B17R2.3540 Cc1sccc1c2ccccc2CN(C)C 271570a_100012356473_100000174758 [0,2,0,0,0,0|2,0,0]=4 5368 B17R2.3540 Cc1scnc1c2ccccc2CN(C)C 271570a_100012356114_100000732656 [0,2,0,0,0,0|2,0,0]=4 5369 B17R2.3540 O=C(O)Cc1ccccc1c2sccc2Br 271570a_200010239615_100012361411 [0,2,0,0,0,0|2,0,0]=4 5370 B17R2.9176 CC(C)C(=O)c1ccccc1c2cccs2 1458a_100011191954_100000210206 [0,2,0,0,0,0|1,0,1]=4 5371 B17R2.9176 CN(C)C(=O)c1ccccc1c2ccco2 11a_100102631434_100011217322 [0,2,0,0,0,0|0,1,1]=4 5372 B17R2.9176 CN(C)C(=O)c1ccccc1c2ccco2 1626a_100102631434_100011217322 [0,2,0,0,0,0|0,1,1]=4 5373 B17R2.9176 CN(C)C(=O)c1ccccc1c2ccco2 240690a_100102631434_100011217322 [0,2,0,0,0,0|0,1,1]=4 5374 B17R2.9176 CN(C)C(=O)c1ccccc1c2ccco2 271570a_100000750936_100000159526 [0,2,0,0,0,0|0,1,1]=4 5375 B17R2.9176 CN(C)C(=O)c1ccccc1c2ccco2 271570a_100010177798_100009814098 [0,2,0,0,0,0|0,1,1]=4 5376 B17R2.9176 CN(C)C(=O)c1ccccc1c2ccco2 527a_100102631434_100011217322 [0,2,0,0,0,0|0,1,1]=4 5377 B17R2.9176 CN(C)C(=O)c1ccccc1c2cccs2 11a_100102631434_100011191954 [0,2,0,0,0,0|0,0,1]=3 5378 B17R2.9176 CN(C)C(=O)c1ccccc1c2cccs2 1626a_100102631434_100011191954 [0,2,0,0,0,0|0,0,1]=3 5379 B17R2.9176 CN(C)C(=O)c1ccccc1c2cccs2 240690a_100102631434_100011191954 [0,2,0,0,0,0|0,0,1]=3 5380 B17R2.9176 CN(C)C(=O)c1ccccc1c2cccs2 271570a_100000742291_100000159526 [0,2,0,0,0,0|0,0,1]=3 5381 B17R2.9176 CN(C)C(=O)c1ccccc1c2cccs2 271570a_100010177798_100011215356 [0,2,0,0,0,0|0,0,1]=3 5382 B17R2.9176 CN(C)C(=O)c1ccccc1c2cncs2 271570a_100010177798_100011934649 [0,2,0,0,0,0|1,0,1]=4 5383 B17R2.9176 CN(C)C(=O)c1ccccc1c2cncs2 271570a_100010231675_100000159526 [0,2,0,0,0,0|1,0,1]=4 5384 B17R2.9176 CN(C)C(=O)c1ccccc1c2nccs2 271570a_100010177798_100000211983 [0,2,0,0,0,0|1,0,1]=4 5385 B17R2.9176 CN(C)C(=O)c1cccnc1c2cccs2 271570a_100000742291_100000159563 [0,2,0,0,0,0|1,0,1]=4 5386 B17R2.10079 CC(C)(C)Oc1ccccc1c2cccs2 271570a_100000742291_100010078496 [0,2,0,0,0,0|2,0,0]=4 5387 B17R2.10079 CC(C)(N)Cc1ccccc1c2ccco2 271570a_100000750936_100161000475 [0,2,0,0,0,0|1,1,0]=4 5388 B17R2.10079 CC(C)(N)Cc1ccccc1c2cccs2 271570a_100000742291_100161000475 [0,2,0,0,0,0|1,0,0]=3 5389 B17R2.10079 CC(C)(N)Cc1ccccc1c2cncs2 271570a_100010231675_100161000475 [0,2,0,0,0,0|2,0,0]=4 5390 B17R2.10079 CS(=O)(=O)Cc1ccccc1c2ccco2 271570a_100000750936_100009814642 [0,2,0,0,0,0|1,1,0]=4 5391 B17R2.10079 CS(=O)(=O)Cc1ccccc1c2cccs2 271570a_100000742291_100009814642 [0,2,0,0,0,0|1,0,0]=3 5392 B17R2.10079 CS(=O)(=O)Cc1ccccc1c2cncs2 271570a_100010231675_100009814642 [0,2,0,0,0,0|2,0,0]=4 5393 B17R2.10079 CS(=O)(=O)Nc1ccccc1c2cccs2 271570a_100000043861_100011215356 [0,2,0,0,0,0|2,0,0]=4 5394 B17R2.10079 CS(=O)(=O)Nc1ccccc1c2cccs2 271570a_100000742291_100000165598 [0,2,0,0,0,0|2,0,0]=4 5395 B17R2.10079 FC(F)(F)Cc1ccccc1c2cccs2 271570a_100000742291_100010220485 [0,2,0,0,0,0|2,0,0]=4 5396 B17R2.23908 Cc1cccc(c1c2cccs2)CC(=O)N 271570a_100000742291_100011096275 [0,2,0,0,0,0|2,0,0]=4 5397 B17R2.23912 CC(C)Oc1c(cccc1c2cccs2)F 271570a_100000742291_200010078528 [0,2,0,0,0,0|2,0,0]=4 5398 B17R2.541 CNC(=O)c1cc(ccc1c2ccco2)Cl 271570a_100000750936_200011279454 [0,2,0,0,0,0|0,1,1]=4 5399 B17R2.541 CNC(=O)c1cc(ccc1c2ccco2)F 271570a_100000750936_200000206232 [0,2,0,0,0,0|0,1,1]=4 5400 B17R2.541 CNC(=O)c1cc(ccc1c2cccs2)Cl 271570a_100000742291_200011279454 [0,2,0,0,0,0|0,0,1]=3 5401 B17R2.541 CNC(=O)c1cc(ccc1c2cccs2)F 271570a_100000742291_200000206232 [0,2,0,0,0,0|0,0,1]=3 5402 B17R2.541 CNC(=O)c1cc(ccc1c2cncs2)Cl 271570a_100010231675_200011279454 [0,2,0,0,0,0|1,0,1]=4 5403 B17R2.541 CNC(=O)c1cc(ccc1c2cncs2)F 271570a_100010231675_200000206232 [0,2,0,0,0,0|1,0,1]=4 5404 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)Br 271570a_100000742291_100000148213 [0,2,0,0,0,0|1,0,1]=4 5405 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)C 271570a_100000742291_100012339458 [0,2,0,0,0,0|1,0,1]=4 5406 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)C 271570a_200000090146_100011215356 [0,2,0,0,0,0|1,0,1]=4 5407 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)Cl 271570a_100000742291_100011294804 [0,2,0,0,0,0|1,0,1]=4 5408 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)Cl 271570a_100010082937_100011215356 [0,2,0,0,0,0|1,0,1]=4 5409 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)F 271570a_100000742291_100000205820 [0,2,0,0,0,0|1,0,1]=4 5410 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)F 271570a_100010082987_100011215356 [0,2,0,0,0,0|1,0,1]=4 5411 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)N 271570a_100000742291_100000696289 [0,2,0,0,0,0|1,0,1]=4 5412 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)N 271570a_200010712826_100011215356 [0,2,0,0,0,0|1,0,1]=4 5413 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)O 271570a_100000742291_100010230369 [0,2,0,0,0,0|1,0,1]=4 5414 B17R2.541 COC(=O)c1cc(ccc1c2cccs2)O 271570a_100010042948_100011215356 [0,2,0,0,0,0|1,0,1]=4 5415 B17R2.541 NNC(=O)c1cc(ccc1c2cccs2)F 271570a_100000742291_100000205862 [0,2,0,0,0,0|1,0,1]=4 5416 B17R2.5749 CCOc1cc(ccc1c2sccc2Br)F 271570a_100011356802_100012361411 [0,2,0,0,0,0|2,0,0]=4 5417 B17R2.5749 CCOc1cc(ccc1c2sccc2C)Br 271570a_200010295860_100000742657 [0,2,0,0,0,0|2,0,0]=4 5418 B17R2.5749 CCOc1cc(ccc1c2sccc2C)C 271570a_100000734444_200010713166 [0,2,0,0,0,0|2,0,0]=4 5419 B17R2.5749 CCOc1cc(ccc1c2sccc2C)Cl 271570a_100000041748_100000742657 [0,2,0,0,0,0|2,0,0]=4 5420 B17R2.5749 CCOc1cc(ccc1c2sccc2C)F 271570a_100000734444_200012340411 [0,2,0,0,0,0|2,0,0]=4 5421 B17R2.5749 CCOc1cc(ccc1c2sccc2C)F 271570a_100011356802_100000742657 [0,2,0,0,0,0|2,0,0]=4 5422 B17R2.5749 CCOc1cc(ccc1c2sccc2C)N 271570a_100000734444_200016990551 [0,2,0,0,0,0|2,0,0]=4 5423 B17R2.5749 COCc1cc(ccc1c2sccc2Br)F 271570a_200010042602_100012361411 [0,2,0,0,0,0|1,0,0]=3 5424 B17R2.5749 COCc1cc(ccc1c2sccc2C)F 271570a_200010042602_100000742657 [0,2,0,0,0,0|1,0,0]=3 5425 B17R2.5749 COCc1cc(ccc1c2scnc2C)F 271570a_200010042602_100009817116 [0,2,0,0,0,0|2,0,0]=4 5426 B17R2.5749 Cc1ccc(c(c1)CC#N)c2sccc2C 271570a_100000734444_100010147026 [0,2,0,0,0,0|2,0,0]=4 5427 B17R2.5749 Cc1ccsc1c2ccc(cc2CC#N)F 271570a_100000734444_100011206898 [0,2,0,0,0,0|2,0,0]=4 5428 B17R2.5751 CCOc1cc(ccc1c2cccs2)C=O 271570a_100000742291_200010381951 [0,2,0,0,0,0|2,0,0]=4 5429 B17R2.5751 CCOc1cc(ccc1c2cccs2)C=O 271570a_200010381909_100011215356 [0,2,0,0,0,0|2,0,0]=4 5430 B17R2.5751 COc1ccc(c(c1)CC#N)c2cccs2 271570a_100000742291_100012259381 [0,2,0,0,0,0|2,0,0]=4 5431 B17R2.5751 COc1ccc(c(c1)CCO)c2cccs2 271570a_100000742291_100012259501 [0,2,0,0,0,0|2,0,0]=4 5432 B17R2.10022 CCOc1cc(c(cc1c2cccs2)C)F 271570a_200009892299_100011215356 [0,2,0,0,0,0|2,0,0]=4 5433 B17R2.10022 CCOc1cc(c(cc1c2cccs2)F)F 271570a_100000049415_100011215356 [0,2,0,0,0,0|2,0,0]=4 5434 B17R2.10022 N#CCc1cc(c(cc1c2cccs2)F)F 271570a_100000742291_100011156620 [0,2,0,0,0,0|2,0,0]=4 5435 B17R2.29578 N#CCc1c(ccc(c1F)F)c2cccs2 271570a_100000742291_100010945798 [0,2,0,0,0,0|2,0,0]=4 5436 B17R2.30567 CNCc1cc(cc(c1n2cccn2)C)C 207a_100102657272_100000068467 [0,2,0,0,0,0|2,0,0]=4 5437 B17R2.30567 CNCc1cc(cc(c1n2cccn2)C)C 270004a_106832991635_100000068467 [0,2,0,0,0,0|2,0,0]=4 5438 B17R2.643 CCC(C)c1ccccc1c2scnc2C 271570a_200160469096_100009817116 [0,2,0,0,0,0|2,0,0]=4 5439 B17R2.643 CNC(=O)c1ccccc1c2cccn2C 271570a_100000068268_100000155073 [0,2,0,0,0,0|1,0,1]=4 5440 B17R2.643 CNC(=O)c1ccccc1c2sccc2Br 271570a_100010369252_100012361411 [0,2,0,0,0,0|0,0,1]=3 5441 B17R2.643 CNC(=O)c1ccccc1c2sccc2C 271570a_100000734444_100000155073 [0,2,0,0,0,0|0,0,1]=3 5442 B17R2.643 CNC(=O)c1ccccc1c2sccc2C 271570a_100010369252_100000742657 [0,2,0,0,0,0|0,0,1]=3 5443 B17R2.643 CNC(=O)c1ccccc1c2scnc2C 271570a_100010115231_100000155073 [0,2,0,0,0,0|1,0,1]=4 5444 B17R2.643 CNC(=O)c1ccccc1c2scnc2C 271570a_100010369252_100009817116 [0,2,0,0,0,0|1,0,1]=4 5445 B17R2.643 CNC(=O)c1cccnc1c2sccc2C 271570a_100000734444_100000159833 [0,2,0,0,0,0|1,0,1]=4 5446 B17R2.643 CNC(C)c1ccccc1c2cccn2C 271570a_100000068268_100000692418 [0,2,0,0,0,0|1,0,0]=3 5447 B17R2.643 CNC(C)c1ccccc1c2ccnn2C 271570a_100000707534_100000692418 [0,2,0,0,0,0|2,0,0]=4 5448 B17R2.643 CNC(C)c1ccccc1c2ccoc2C 271570a_100000070625_100000692418 [0,2,0,0,0,0|2,0,0]=4 5449 B17R2.643 CNC(C)c1ccccc1c2ccsc2C 271570a_100012356473_100000692418 [0,2,0,0,0,0|2,0,0]=4 5450 B17R2.643 CNC(C)c1ccccc1c2ccsc2Cl 271570a_100000117213_100000692418 [0,2,0,0,0,0|2,0,0]=4 5451 B17R2.643 CNC(C)c1ccccc1c2cncn2C 271570a_100009892668_100000692418 [0,2,0,0,0,0|2,0,0]=4 5452 B17R2.643 CNC(C)c1ccccc1c2cscc2C 271570a_100000069996_100000692418 [0,2,0,0,0,0|2,0,0]=4 5453 B17R2.643 CNC(C)c1ccccc1c2n[nH]cc2C 271570a_100102527747_100000692418 [0,2,0,0,0,0|2,0,0]=4 5454 B17R2.643 CNC(C)c1ccccc1c2sccc2C 271570a_100000734444_100000692418 [0,2,0,0,0,0|0,0,0]=2 5455 B17R2.643 CNC(C)c1ccccc1c2scnc2C 271570a_100010115231_100000692418 [0,2,0,0,0,0|1,0,0]=3 5456 B17R2.643 COC(=O)c1ccccc1c2sccc2Br 271570a_100000034818_100012361411 [0,2,0,0,0,0|1,0,1]=4 5457 B17R2.643 COC(=O)c1ccccc1c2sccc2C 271570a_100000034818_100000742657 [0,2,0,0,0,0|1,0,1]=4 5458 B17R2.643 COC(=O)c1ccccc1c2sccc2C 271570a_100000734444_100000148710 [0,2,0,0,0,0|1,0,1]=4 5459 B17R2.643 CO[C@@H](C)c1ncccc1c2sccc2C 271570a_100000734444_106256553109 [0,2,0,0,0,0|2,0,0]=4 5460 B17R2.643 Cc1ccsc1c2ccccc2C(=O)NN 271570a_100000734444_100000190081 [0,2,0,0,0,0|1,0,1]=4 5461 B17R2.643 Cc1ccsc1c2ccccc2C(C)C#N 271570a_100000734444_200010232107 [0,2,0,0,0,0|2,0,0]=4 5462 B17R2.643 Cc1ccsc1c2ccccc2C(O)CN 271570a_100000734444_100011236429 [0,2,0,0,0,0|2,0,0]=4 5463 B17R2.643 Cc1ccsc1c2ccccc2[C@H](N)CO 271570a_100000734444_100161155918 [0,2,0,0,0,0|2,0,0]=4 5464 B17R2.4283 C=CCc1ccccc1c2sccc2C#N 271570a_200010742005_100009817073 [0,2,0,0,0,0|1,0,1]=4 5465 B17R2.4283 C=CCc1ccccc1c2sccc2C=O 271570a_100000034323_100009828059 [0,2,0,0,0,0|1,0,1]=4 5466 B17R2.4283 C=CCc1ccccc1c2sccc2C=O 271570a_200010742005_100009816921 [0,2,0,0,0,0|1,0,1]=4 5467 B17R2.4283 C=CCc1ccccc1c2sccc2CC 271570a_200010742005_200009875468 [0,2,0,0,0,0|1,0,1]=4 5468 B17R2.4283 C=CCc1ccccc1c2sccc2CN 271570a_200010742005_100000727803 [0,2,0,0,0,0|1,0,1]=4 5469 B17R2.4283 C=CCc1ccccc1c2sccc2CO 271570a_200010742005_100009816922 [0,2,0,0,0,0|1,0,1]=4 5470 B17R2.4283 C=CCc1ccccc1c2sccc2OC 271570a_100000069662_100009828059 [0,2,0,0,0,0|1,0,1]=4 5471 B17R2.4283 CCNc1ccccc1c2sccc2C=O 271570a_100000034323_114873767003 [0,2,0,0,0,0|2,0,0]=4 5472 B17R2.4283 CCNc1ccccc1c2sccc2OC 271570a_100000069662_114873767003 [0,2,0,0,0,0|2,0,0]=4 5473 B17R2.4283 CCOc1ccccc1c2sccc2C#N 271570a_100011217569_100009817073 [0,2,0,0,0,0|2,0,0]=4 5474 B17R2.4283 CCOc1ccccc1c2sccc2C=O 271570a_100000034323_100000230754 [0,2,0,0,0,0|2,0,0]=4 5475 B17R2.4283 CCOc1ccccc1c2sccc2C=O 271570a_100011217569_100009816921 [0,2,0,0,0,0|2,0,0]=4 5476 B17R2.4283 CCOc1ccccc1c2sccc2CC 271570a_100011217569_200009875468 [0,2,0,0,0,0|2,0,0]=4 5477 B17R2.4283 CCOc1ccccc1c2sccc2CN 271570a_100011217569_100000727803 [0,2,0,0,0,0|2,0,0]=4 5478 B17R2.4283 CCOc1ccccc1c2sccc2CO 271570a_100011217569_100009816922 [0,2,0,0,0,0|2,0,0]=4 5479 B17R2.4283 CCOc1ccccc1c2sccc2OC 271570a_100000069662_100000230754 [0,2,0,0,0,0|2,0,0]=4 5480 B17R2.4283 CCSc1ccccc1c2sccc2C#N 271570a_200000040582_100009817073 [0,2,0,0,0,0|2,0,0]=4 5481 B17R2.4283 CCSc1ccccc1c2sccc2C=O 271570a_100000034323_100000230856 [0,2,0,0,0,0|2,0,0]=4 5482 B17R2.4283 CCSc1ccccc1c2sccc2C=O 271570a_200000040582_100009816921 [0,2,0,0,0,0|2,0,0]=4 5483 B17R2.4283 CCSc1ccccc1c2sccc2CN 271570a_200000040582_100000727803 [0,2,0,0,0,0|2,0,0]=4 5484 B17R2.4283 CCSc1ccccc1c2sccc2CO 271570a_200000040582_100009816922 [0,2,0,0,0,0|2,0,0]=4 5485 B17R2.4283 CCSc1ccccc1c2sccc2OC 271570a_100000069662_100000230856 [0,2,0,0,0,0|2,0,0]=4 5486 B17R2.4283 CCc1ccsc1c2ccccc2CC#N 271570a_100000066961_200009875468 [0,2,0,0,0,0|2,0,0]=4 5487 B17R2.4283 CCc1ccsc1c2ccccc2COC 271570a_100011216666_200009875468 [0,2,0,0,0,0|1,0,0]=3 5488 B17R2.4283 CCn1nccc1c2ccccc2CNC 271570a_100000701364_100000184654 [0,2,0,0,0,0|2,0,0]=4 5489 B17R2.4283 CNCc1ccccc1c2ccsc2C=O 271570a_100010083059_100000184654 [0,2,0,0,0,0|2,0,0]=4 5490 B17R2.4283 CNCc1ccccc1c2ccsc2CO 271570a_200009850424_100000184654 [0,2,0,0,0,0|2,0,0]=4 5491 B17R2.4283 CNCc1ccccc1c2cscc2C=O 271570a_100000077414_100000184654 [0,2,0,0,0,0|2,0,0]=4 5492 B17R2.4283 CNCc1ccccc1c2occc2C=O 271570a_200000039635_100000184654 [0,2,0,0,0,0|0,1,0]=3 5493 B17R2.4283 CNCc1ccccc1c2sccc2C=O 271570a_100000034323_100000184654 [0,2,0,0,0,0|0,0,0]=2 5494 B17R2.4283 CNCc1ccccc1c2sccc2OC 271570a_100000069662_100000184654 [0,2,0,0,0,0|0,0,0]=2 5495 B17R2.4283 CNCc1cccnc1c2occc2C=O 271570a_200000039635_103496529121 [0,2,0,0,0,0|1,1,0]=4 5496 B17R2.4283 CNCc1cccnc1c2sccc2C=O 271570a_100000034323_103496529121 [0,2,0,0,0,0|1,0,0]=3 5497 B17R2.4283 CNCc1cccnc1c2sccc2OC 271570a_100000069662_103496529121 [0,2,0,0,0,0|1,0,0]=3 5498 B17R2.4283 COCc1ccccc1c2occc2C=O 271570a_200000039635_100011493684 [0,2,0,0,0,0|1,1,0]=4 5499 B17R2.4283 COCc1ccccc1c2sccc2C#N 271570a_100011216666_100009817073 [0,2,0,0,0,0|1,0,0]=3 5500 B17R2.4283 COCc1ccccc1c2sccc2C=O 271570a_100000034323_100011493684 [0,2,0,0,0,0|1,0,0]=3 5501 B17R2.4283 COCc1ccccc1c2sccc2C=O 271570a_100011216666_100009816921 [0,2,0,0,0,0|1,0,0]=3 5502 B17R2.4283 COCc1ccccc1c2sccc2CN 271570a_100011216666_100000727803 [0,2,0,0,0,0|1,0,0]=3 5503 B17R2.4283 COCc1ccccc1c2sccc2CO 271570a_100011216666_100009816922 [0,2,0,0,0,0|1,0,0]=3 5504 B17R2.4283 COCc1ccccc1c2sccc2OC 271570a_100000069662_100011493684 [0,2,0,0,0,0|1,0,0]=3 5505 B17R2.4283 COc1ccsc1c2ccccc2CC#N 271570a_100000069662_100000033512 [0,2,0,0,0,0|2,0,0]=4 5506 B17R2.4283 COc1ccsc1c2ccccc2CCN 271570a_100000069662_100000747383 [0,2,0,0,0,0|2,0,0]=4 5507 B17R2.4283 COc1ccsc1c2ccccc2CCO 271570a_100000069662_100000731337 [0,2,0,0,0,0|2,0,0]=4 5508 B17R2.4283 COc1ccsc1c2ccccc2CNN 271570a_100000069662_200016993956 [0,2,0,0,0,0|1,0,0]=3 5509 B17R2.4283 COc1ccsc1c2ccccc2CSC 271570a_100000069662_100000148299 [0,2,0,0,0,0|1,0,0]=3 5510 B17R2.4283 CSCc1ccccc1c2occc2C=O 271570a_200000039635_100000148299 [0,2,0,0,0,0|1,1,0]=4 5511 B17R2.4283 CSCc1ccccc1c2sccc2C=O 271570a_100000034323_100000148299 [0,2,0,0,0,0|1,0,0]=3 5512 B17R2.4283 N#CCc1ccccc1c2sccc2C#N 271570a_100000066961_100009817073 [0,2,0,0,0,0|2,0,0]=4 5513 B17R2.4283 N#CCc1ccccc1c2sccc2C=O 271570a_100000034323_100000033512 [0,2,0,0,0,0|2,0,0]=4 5514 B17R2.4283 N#CCc1ccccc1c2sccc2C=O 271570a_100000066961_100009816921 [0,2,0,0,0,0|2,0,0]=4 5515 B17R2.4283 N#CCc1ccccc1c2sccc2CN 271570a_100000066961_100000727803 [0,2,0,0,0,0|2,0,0]=4 5516 B17R2.4283 N#CCc1ccccc1c2sccc2CO 271570a_100000066961_100009816922 [0,2,0,0,0,0|2,0,0]=4 5517 B17R2.4283 NCCc1ccccc1c2sccc2C=O 271570a_100000034323_100000747383 [0,2,0,0,0,0|2,0,0]=4 5518 B17R2.4283 NNCc1ccccc1c2occc2C=O 271570a_200000039635_200016993956 [0,2,0,0,0,0|1,1,0]=4 5519 B17R2.4283 NNCc1ccccc1c2sccc2C=O 271570a_100000034323_200016993956 [0,2,0,0,0,0|1,0,0]=3 5520 B17R2.4283 O=Cc1ccsc1c2ccccc2CCO 271570a_100000034323_100000731337 [0,2,0,0,0,0|2,0,0]=4 5521 B17R2.26482 CCOc1c(cccc1c2sccc2Br)F 271570a_100000104142_100012361411 [0,2,0,0,0,0|2,0,0]=4 5522 B17R2.26482 CCOc1c(cccc1c2sccc2C)F 271570a_100000104142_100000742657 [0,2,0,0,0,0|2,0,0]=4 5523 B17R2.26482 CCOc1c(cccc1c2sccc2C)F 271570a_100000734444_100010232518 [0,2,0,0,0,0|2,0,0]=4 5524 B17R2.26482 CNCc1c(cccc1c2cccn2C)F 271570a_100000068268_106744473292 [0,2,0,0,0,0|1,0,0]=3 5525 B17R2.26482 CNCc1c(cccc1c2ccnn2C)F 271570a_100000707534_106744473292 [0,2,0,0,0,0|2,0,0]=4 5526 B17R2.26482 CNCc1c(cccc1c2ccoc2C)F 271570a_100000070625_106744473292 [0,2,0,0,0,0|2,0,0]=4 5527 B17R2.26482 CNCc1c(cccc1c2ccsc2C)F 271570a_100012356473_106744473292 [0,2,0,0,0,0|2,0,0]=4 5528 B17R2.26482 CNCc1c(cccc1c2ccsc2Cl)F 271570a_100000117213_106744473292 [0,2,0,0,0,0|2,0,0]=4 5529 B17R2.26482 CNCc1c(cccc1c2cncn2C)F 271570a_100009892668_106744473292 [0,2,0,0,0,0|2,0,0]=4 5530 B17R2.26482 CNCc1c(cccc1c2cscc2C)F 271570a_100000069996_106744473292 [0,2,0,0,0,0|2,0,0]=4 5531 B17R2.26482 CNCc1c(cccc1c2n[nH]cc2C)F 271570a_100102527747_106744473292 [0,2,0,0,0,0|2,0,0]=4 5532 B17R2.26482 CNCc1c(cccc1c2sccc2C)F 271570a_100000734444_106744473292 [0,2,0,0,0,0|0,0,0]=2 5533 B17R2.26482 CNCc1c(cccc1c2scnc2C)F 271570a_100010115231_106744473292 [0,2,0,0,0,0|1,0,0]=3 5534 B17R2.26482 Cc1ccsc1c2cccc(c2CC#N)C 271570a_100000734444_100010147027 [0,2,0,0,0,0|2,0,0]=4 5535 B17R2.26482 Cc1ccsc1c2cccc(c2CC#N)F 271570a_100000734444_100009817144 [0,2,0,0,0,0|2,0,0]=4 5536 B17R2.26887 Cc1ccsc1c2c(cccc2CC#N)C 271570a_100000734444_100010147024 [0,2,0,0,0,0|2,0,0]=4 5537 B17R2.46905 CCOc1ccc(cc1c2sccc2Br)C 271570a_100011263111_100012361411 [0,2,0,0,0,0|2,0,0]=4 5538 B17R2.46905 CCOc1ccc(cc1c2sccc2Br)F 271570a_100011263138_100012361411 [0,2,0,0,0,0|2,0,0]=4 5539 B17R2.46905 CCOc1ccc(cc1c2sccc2C)C 271570a_100000734444_200000230997 [0,2,0,0,0,0|2,0,0]=4 5540 B17R2.46905 CCOc1ccc(cc1c2sccc2C)C 271570a_100011263111_100000742657 [0,2,0,0,0,0|2,0,0]=4 5541 B17R2.46905 CCOc1ccc(cc1c2sccc2C)Cl 271570a_100000043669_100000742657 [0,2,0,0,0,0|2,0,0]=4 5542 B17R2.46905 CCOc1ccc(cc1c2sccc2C)F 271570a_100000734444_100000171695 [0,2,0,0,0,0|2,0,0]=4 5543 B17R2.46905 CCOc1ccc(cc1c2sccc2C)F 271570a_100011263138_100000742657 [0,2,0,0,0,0|2,0,0]=4 5544 B17R2.46905 CNCc1ccc(cc1c2cccn2C)F 271570a_100000068268_200011192132 [0,2,0,0,0,0|1,0,0]=3 5545 B17R2.46905 CNCc1ccc(cc1c2ccnn2C)F 271570a_100000707534_200011192132 [0,2,0,0,0,0|2,0,0]=4 5546 B17R2.46905 CNCc1ccc(cc1c2ccoc2C)F 271570a_100000070625_200011192132 [0,2,0,0,0,0|2,0,0]=4 5547 B17R2.46905 CNCc1ccc(cc1c2ccsc2C)F 271570a_100012356473_200011192132 [0,2,0,0,0,0|2,0,0]=4 5548 B17R2.46905 CNCc1ccc(cc1c2ccsc2Cl)F 271570a_100000117213_200011192132 [0,2,0,0,0,0|2,0,0]=4 5549 B17R2.46905 CNCc1ccc(cc1c2cncn2C)F 271570a_100009892668_200011192132 [0,2,0,0,0,0|2,0,0]=4 5550 B17R2.46905 CNCc1ccc(cc1c2cscc2C)F 271570a_100000069996_200011192132 [0,2,0,0,0,0|2,0,0]=4 5551 B17R2.46905 CNCc1ccc(cc1c2n[nH]cc2C)F 271570a_100102527747_200011192132 [0,2,0,0,0,0|2,0,0]=4 5552 B17R2.46905 CNCc1ccc(cc1c2sccc2C)F 271570a_100000734444_200011192132 [0,2,0,0,0,0|0,0,0]=2 5553 B17R2.46905 CNCc1ccc(cc1c2scnc2C)F 271570a_100010115231_200011192132 [0,2,0,0,0,0|1,0,0]=3 5554 B17R2.46905 Cc1ccsc1c2cc(ccc2CC#N)F 271570a_100000734444_100011207962 [0,2,0,0,0,0|2,0,0]=4 5555 B17R2.47045 CNCc1ccccc1c2c(cnn2C)C 271570a_100010063681_100000184654 [0,2,0,0,0,0|2,0,0]=4 5556 B17R2.4743 CC(C)(C#N)c1ccccc1c2cccs2 271570a_100000742291_100000716882 [0,2,0,0,0,0|2,0,0]=4 5557 B17R2.4743 CNS(=O)(=O)c1ccccc1c2ccco2 271570a_100000750936_200000165157 [0,2,0,0,0,0|1,1,0]=4 5558 B17R2.4743 CNS(=O)(=O)c1ccccc1c2ccco2 271570a_100010201203_100009814098 [0,2,0,0,0,0|1,1,0]=4 5559 B17R2.4743 CNS(=O)(=O)c1ccccc1c2cccs2 271570a_100000742291_200000165157 [0,2,0,0,0,0|1,0,0]=3 5560 B17R2.4743 CNS(=O)(=O)c1ccccc1c2cccs2 271570a_100010201203_100011215356 [0,2,0,0,0,0|1,0,0]=3 5561 B17R2.4743 CNS(=O)(=O)c1ccccc1c2cncs2 271570a_100010201203_100011934649 [0,2,0,0,0,0|2,0,0]=4 5562 B17R2.4743 CNS(=O)(=O)c1ccccc1c2cncs2 271570a_100010231675_200000165157 [0,2,0,0,0,0|2,0,0]=4 5563 B17R2.4743 CNS(=O)(=O)c1ccccc1c2nccs2 271570a_100010201203_100000211983 [0,2,0,0,0,0|2,0,0]=4 5564 B17R2.4743 NNS(=O)(=O)c1ccccc1c2cccs2 271570a_100000742291_200011248379 [0,2,0,0,0,0|2,0,0]=4 5565 B17R2.5510 COC(OC)c1ccccc1c2ccco2 271570a_100000750936_100010185899 [0,2,0,0,0,0|1,1,0]=4 5566 B17R2.5510 COC(OC)c1ccccc1c2cccs2 271570a_100000742291_100010185899 [0,2,0,0,0,0|1,0,0]=3 5567 B17R2.5510 COC(OC)c1ccccc1c2cncs2 271570a_100010231675_100010185899 [0,2,0,0,0,0|2,0,0]=4 5568 B17R2.58182 CCC(=O)c1ccc(cc1c2cccs2)C 271570a_100000742291_200012349623 [0,2,0,0,0,0|1,0,1]=4 5569 B17R2.58182 CNC(=O)c1ccc(cc1c2ccco2)F 271570a_100000750936_200000206206 [0,2,0,0,0,0|0,1,1]=4 5570 B17R2.58182 CNC(=O)c1ccc(cc1c2ccco2)F 271570a_200000070585_100009814098 [0,2,0,0,0,0|0,1,1]=4 5571 B17R2.58182 CNC(=O)c1ccc(cc1c2cccs2)F 271570a_100000742291_200000206206 [0,2,0,0,0,0|0,0,1]=3 5572 B17R2.58182 CNC(=O)c1ccc(cc1c2cccs2)F 271570a_200000070585_100011215356 [0,2,0,0,0,0|0,0,1]=3 5573 B17R2.58182 CNC(=O)c1ccc(cc1c2cncs2)F 271570a_100010231675_200000206206 [0,2,0,0,0,0|1,0,1]=4 5574 B17R2.58182 CNC(=O)c1ccc(cc1c2cncs2)F 271570a_200000070585_100011934649 [0,2,0,0,0,0|1,0,1]=4 5575 B17R2.58182 CNC(=O)c1ccc(cc1c2nccs2)F 271570a_200000070585_100000211983 [0,2,0,0,0,0|1,0,1]=4 5576 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)Br 271570a_100000742291_100000701758 [0,2,0,0,0,0|1,0,1]=4 5577 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)C 271570a_100000742291_100012340597 [0,2,0,0,0,0|1,0,1]=4 5578 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)C 271570a_200010083033_100011215356 [0,2,0,0,0,0|1,0,1]=4 5579 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)Cl 271570a_100000742291_100000047510 [0,2,0,0,0,0|1,0,1]=4 5580 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)Cl 271570a_100010082938_100011215356 [0,2,0,0,0,0|1,0,1]=4 5581 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)F 271570a_100000742291_100000204356 [0,2,0,0,0,0|1,0,1]=4 5582 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)F 271570a_100010082986_100011215356 [0,2,0,0,0,0|1,0,1]=4 5583 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)N 271570a_100000742291_100009998378 [0,2,0,0,0,0|1,0,1]=4 5584 B17R2.58182 COC(=O)c1ccc(cc1c2cccs2)O 271570a_100000742291_100010150825 [0,2,0,0,0,0|1,0,1]=4 5585 B17R2.58182 Cc1ccc(c(c1)c2cccs2)C(=O)NN 271570a_100000742291_200012340525 [0,2,0,0,0,0|1,0,1]=4 5586 B17R2.58182 NNC(=O)c1ccc(cc1c2cccs2)F 271570a_100000742291_100000203923 [0,2,0,0,0,0|1,0,1]=4 5587 B17R2.347666 CNC(=O)c1c(cccc1c2ccco2)F 271570a_100000750936_100012642803 [0,2,0,0,0,0|0,1,1]=4 5588 B17R2.347666 CNC(=O)c1c(cccc1c2cccs2)F 271570a_100000742291_100012642803 [0,2,0,0,0,0|0,0,1]=3 5589 B17R2.347666 CNC(=O)c1c(cccc1c2cncs2)F 271570a_100010231675_100012642803 [0,2,0,0,0,0|1,0,1]=4 5590 B17R2.347666 COC(=O)c1c(cccc1c2cccs2)Br 271570a_100000742291_100010247157 [0,2,0,0,0,0|1,0,1]=4 5591 B17R2.347666 COC(=O)c1c(cccc1c2cccs2)C 271570a_100000742291_100010204206 [0,2,0,0,0,0|1,0,1]=4 5592 B17R2.347666 COC(=O)c1c(cccc1c2cccs2)Cl 271570a_100000742291_100010150959 [0,2,0,0,0,0|1,0,1]=4 5593 B17R2.347666 COC(=O)c1c(cccc1c2cccs2)F 271570a_100000742291_100000150693 [0,2,0,0,0,0|1,0,1]=4 5594 B17R2.347666 COC(=O)c1c(cccc1c2cccs2)F 271570a_100010082989_100011215356 [0,2,0,0,0,0|1,0,1]=4 5595 B17R2.347666 COC(=O)c1c(cccc1c2cccs2)N 271570a_100000742291_100010253892 [0,2,0,0,0,0|1,0,1]=4 5596 B17R2.358859 COC(=O)c1cccc(c1c2cccs2)Br 271570a_100000742291_100010150843 [0,2,0,0,0,0|1,0,1]=4 5597 B17R2.358859 COC(=O)c1cccc(c1c2cccs2)C 271570a_100000742291_100012002529 [0,2,0,0,0,0|1,0,1]=4 5598 B17R2.358859 COC(=O)c1cccc(c1c2cccs2)F 271570a_100000742291_100012357630 [0,2,0,0,0,0|1,0,1]=4 5599 B17R2.358859 COC(=O)c1cccc(c1c2cccs2)N 271570a_100000742291_100000719424 [0,2,0,0,0,0|1,0,1]=4 5600 B17R2.358859 COC(=O)c1cccc(c1c2cccs2)O 271570a_100000742291_200010230364 [0,2,0,0,0,0|1,0,1]=4 5601 B17R2.28591 CCOc1c(cc(cc1c2cccs2)C)Br 271570a_200010162518_100011215356 [0,2,0,0,0,0|2,0,0]=4 5602 B17R2.28591 CCOc1c(cc(cc1c2cccs2)F)Br 271570a_200010163244_100011215356 [0,2,0,0,0,0|2,0,0]=4 5603 B17R2.28591 CCOc1c(cc(cc1c2cccs2)F)Cl 271570a_100000742291_100135264980 [0,2,0,0,0,0|2,0,0]=4 5604 B17R2.28591 CCOc1c(cc(cc1c2cccs2)F)Cl 271570a_100134756440_100011215356 [0,2,0,0,0,0|2,0,0]=4 5605 B17R2.28591 CCOc1c(cc(cc1c2cccs2)F)N 271570a_100000742291_100011190658 [0,2,0,0,0,0|2,0,0]=4 5606 B17R2.28591 CNCc1c(cc(cc1c2cc[nH]n2)C)C 26a_100102657272_200000080412 [0,2,0,0,0,0|2,0,0]=4 5607 B17R2.28591 CNCc1c(cc(cc1n2cccn2)C)C 207a_100102657272_200000068466 [0,2,0,0,0,0|2,0,0]=4 5608 B17R2.28591 CNCc1c(cc(cc1n2cccn2)C)C 270004a_106832991635_200000068466 [0,2,0,0,0,0|2,0,0]=4 5609 B17R2.46907 CCOc1ccc(cc1c2cccs2)C#N 271570a_100000742291_100000189309 [0,2,0,0,0,0|2,0,0]=4 5610 B17R2.46907 CCOc1ccc(cc1c2cccs2)C=O 271570a_100000742291_100000173028 [0,2,0,0,0,0|2,0,0]=4 5611 B17R2.46907 CCOc1ccc(cc1c2cccs2)C=O 271570a_200000093264_100011215356 [0,2,0,0,0,0|2,0,0]=4 5612 B17R2.46907 CCOc1ccc(cc1c2cccs2)CO 271570a_100000742291_200011800839 [0,2,0,0,0,0|2,0,0]=4 5613 B17R2.46907 CCOc1ccc(cc1c2cccs2)OC 271570a_200011935286_100011215356 [0,2,0,0,0,0|2,0,0]=4 5614 B17R2.46907 CCc1ccc(c(c1)c2cc[nH]n2)CNC 26a_100102657272_200000080411 [0,2,0,0,0,0|2,0,0]=4 5615 B17R2.46907 COc1ccc(c(c1)c2cccs2)CC#N 271570a_100000742291_100010146818 [0,2,0,0,0,0|2,0,0]=4 5616 B17R2.46937 CCOc1ccc(c(c1c2cccs2)F)C 271570a_200009990063_100011215356 [0,2,0,0,0,0|2,0,0]=4 5617 B17R2.46937 CCOc1ccc(c(c1c2cccs2)F)F 271570a_200010254864_100011215356 [0,2,0,0,0,0|2,0,0]=4 5618 B15R2.47 CNCc1ccsc1Sc2cccs2 62a_100009817074_100011215356 [0,0,1,1,0,0|2,0,0]=4 5619 B15R2.47 CNCc1ccsc1Sc2cccs2 62a_100011215356_100009817074 [0,0,1,1,0,0|2,0,0]=4 5620 B15R2.47 CNCc1cscc1Sc2cccs2 62a_100011215356_100011935083 [0,0,1,1,0,0|2,0,0]=4 5621 B15R2.47 CNCc1cscc1Sc2cccs2 62a_100011935083_100011215356 [0,0,1,1,0,0|2,0,0]=4 5622 B15R2.47 CNCc1sccc1Sc2cccs2 62a_100000767120_100011215356 [0,0,1,1,0,0|2,0,0]=4 5623 B15R2.47 CNCc1sccc1Sc2cccs2 62a_100011215356_100000767120 [0,0,1,1,0,0|2,0,0]=4 5624 B15R2.123 CNc1ccccc1Sc2cccs2 62a_100011215356_100020606079 [0,0,1,1,0,0|1,0,1]=4 5625 B15R2.123 CNc1ccccc1Sc2cccs2 62a_100020606079_100011215356 [0,0,1,1,0,0|1,0,1]=4 5626 B15R2.4278 CCCC=Cc1cccc2c1cc[nH]2 271570a_100016258520_100000685724 [0,0,1,1,0,0|2,0,0]=4 5627 B15R2.4278 CCCC=Cc1cccc2c1cco2 271570a_100016258520_100000756496 [0,0,1,1,0,0|1,1,0]=4 5628 B15R2.4278 CCCC=Cc1cccc2c1ccs2 271570a_100016258520_100009816950 [0,0,1,1,0,0|1,0,0]=3 5629 B15R2.4278 CCCC=Cc1cccc2c1ncs2 271570a_100016258520_100000726125 [0,0,1,1,0,0|2,0,0]=4 5630 B15R2.4278 CCCC=Cc1ccnc2c1ccs2 271570a_100016258520_100009861243 [0,0,1,1,0,0|2,0,0]=4 5631 B15R2.4278 CCCC=Cc1nccc2c1ccs2 271570a_100016258520_100000047778 [0,0,1,1,0,0|2,0,0]=4 5632 B15R2.4278 CCOC=Cc1cccc2c1ccs2 271570a_100016256518_100009816950 [0,0,1,1,0,0|2,0,0]=4 5633 B15R2.4278 COCC=Cc1cccc2c1cc[nH]2 271570a_100016286323_100000685724 [0,0,1,1,0,0|2,0,0]=4 5634 B15R2.4278 COCC=Cc1cccc2c1cco2 271570a_100016286323_100000756496 [0,0,1,1,0,0|1,1,0]=4 5635 B15R2.4278 COCC=Cc1cccc2c1ccs2 271570a_100016286323_100009816950 [0,0,1,1,0,0|1,0,0]=3 5636 B15R2.4278 COCC=Cc1cccc2c1ncs2 271570a_100016286323_100000726125 [0,0,1,1,0,0|2,0,0]=4 5637 B15R2.4278 COCC=Cc1ccnc2c1ccs2 271570a_100016286323_100009861243 [0,0,1,1,0,0|2,0,0]=4 5638 B15R2.4278 COCC=Cc1nccc2c1ccs2 271570a_100016286323_100000047778 [0,0,1,1,0,0|2,0,0]=4 5639 B15R2.11929 CNCc1cccc2c1c(ccc2)Br 26a_100102657272_100010089961 [0,0,1,1,0,0|1,0,0]=3 5640 B15R2.11929 CNCc1cccc2c1c(ccc2)C 207a_100102657272_100009842862 [0,0,1,1,0,0|1,0,0]=3 5641 B15R2.11929 CNCc1cccc2c1c(ccc2)C 270004a_106832991635_100009842862 [0,0,1,1,0,0|1,0,0]=3 5642 B15R2.11929 CNCc1cccc2c1c(ccc2)Cl 207a_100102657272_100009850064 [0,0,1,1,0,0|1,0,0]=3 5643 B15R2.11929 CNCc1cccc2c1c(ccc2)Cl 270004a_106832991635_100009850064 [0,0,1,1,0,0|1,0,0]=3 5644 B15R2.11929 COCc1cccc2c1c(ccc2)Br 34a_200009814114_200000210301 [0,0,1,1,0,0|2,0,0]=4 5645 B15R2.11929 COCc1cccc2c1c(ccc2)Br 7a_200009814114_200000210301 [0,0,1,1,0,0|2,0,0]=4 5646 B15R2.11929 [13CH3]OCc1cccc2c1c(ccc2)Br 34a_200009814114_200025704644 [0,0,1,1,0,0|2,0,0]=4 5647 B15R2.11929 [13CH3]OCc1cccc2c1c(ccc2)Br 7a_200009814114_200025704644 [0,0,1,1,0,0|2,0,0]=4 5648 B15R2.800 CNCc1cccc2c1cccc2Br 26a_100102657272_100010003857 [0,0,1,1,0,0|1,0,0]=3 5649 B15R2.800 CNCc1cccc2c1cccc2F 207a_100102657272_200102526217 [0,0,1,1,0,0|1,0,0]=3 5650 B15R2.800 CNCc1cccc2c1cccc2F 270004a_106832991635_200102526217 [0,0,1,1,0,0|1,0,0]=3 5651 B15R2.800 CNCc1cccc2c1nccc2Br 26a_100102657272_100000703299 [0,0,1,1,0,0|2,0,0]=4 5652 B15R2.1435 C=CCSc1c2ccccc2nn1C 62a_100000210623_100010163699 [0,0,1,1,0,0|1,0,1]=4 5653 B15R2.1435 C=CCSc1c2ccccc2nn1C 62a_100010163699_100000210623 [0,0,1,1,0,0|1,0,1]=4 5654 B15R2.2234 CNc1cc(ccc1C)c2cccs2 271570a_100000742291_100020629602 [0,0,1,1,0,0|0,0,2]=4 5655 B15R2.2234 CNc1cc(ccc1F)c2cccs2 271570a_100000742291_100011314990 [0,0,1,1,0,0|1,0,1]=4 5656 B15R2.2234 CNc1cc(ccc1N)c2cccs2 271570a_100000742291_100000694363 [0,0,1,1,0,0|1,0,1]=4 5657 B15R2.19 CNc1cccc(c1N)c2cccs2 271570a_100000742291_100000695761 [0,0,1,1,0,0|1,0,1]=4 5658 B15R3.1705 c1csc(c1)c2sccc2C3CC3 271570a_100000742291_100010071141 [0,0,0,1,1,0|2,0,0]=4 5659 B17R3.1926 c1ccc(c(c1)c2ccncc2)C3CC3 271570a_100000752145_100009819954 [0,0,0,1,0,1|2,0,0]=4 5660 B17R3.1926 c1ccc(c(c1)c2ccncc2)C3CC3 271570a_100010231911_100000035832 [0,0,0,1,0,1|2,0,0]=4 5661 B17R3.1926 c1ccc(c(c1)c2ccncc2)C3CC3 271570a_100011220607_100010154595 [0,0,0,1,0,1|2,0,0]=4 5662 B17R3.1926 c1ccc(c(c1)c2ccncn2)C3CC3 271570a_100010231911_100000703185 [0,0,0,1,0,1|2,0,0]=4 5663 B17R3.1926 c1ccc(c(c1)c2cnccn2)C3CC3 271570a_100010231911_100000758340 [0,0,0,1,0,1|2,0,0]=4 5664 B17R3.1926 c1ccc(c(c1)c2cnccn2)C3CC3 271570a_100011962566_100009819954 [0,0,0,1,0,1|2,0,0]=4 5665 B17R3.1926 c1ccc(cc1)c2ccccc2C3CC3 271570a_100010231911_100000210277 [0,0,0,1,0,1|2,0,0]=4 5666 B17R3.1926 c1ccc(cc1)c2ccccc2C3CC3 271570a_100011218836_100009819954 [0,0,0,1,0,1|2,0,0]=4 5667 B17R3.1926 c1ccc(cc1)c2ccccc2C3CC3 271570a_100011220607_100000033479 [0,0,0,1,0,1|2,0,0]=4 5668 B17R3.1926 c1ccc(nc1)c2ccccc2C3CC3 271570a_100010231911_100011216584 [0,0,0,1,0,1|2,0,0]=4 5669 B17R3.1926 c1ccc(nc1)c2ccccc2C3CC3 271570a_100011220607_100010202516 [0,0,0,1,0,1|2,0,0]=4 5670 B17R3.1926 c1ccc(nc1)c2ccccc2C3CC3 271570a_100011264011_100009819954 [0,0,0,1,0,1|2,0,0]=4 5671 B17R3.1926 c1cnc(nc1)c2ccccc2C3CC3 271570a_100010231911_100000211032 [0,0,0,1,0,1|2,0,0]=4 5672 B17R3.1926 c1cncc(c1)c2ccccc2C3CC3 271570a_100000757648_100009819954 [0,0,0,1,0,1|2,0,0]=4 5673 B17R3.1926 c1cncc(c1)c2ccccc2C3CC3 271570a_100010231911_100000752921 [0,0,0,1,0,1|2,0,0]=4 5674 B17R3.1926 c1cnnc(c1)c2ccccc2C3CC3 271570a_100010231911_100016991348 [0,0,0,1,0,1|2,0,0]=4 5675 B17R3.8707 c1cc2c(c(c1)c3ccncc3)CCC2 271570a_100000752145_100010343934 [0,0,0,1,0,1|2,0,0]=4 5676 B17R3.8707 c1cc2c(c(c1)c3ccncc3)CCC2 271570a_100010144219_100000035832 [0,0,0,1,0,1|2,0,0]=4 5677 B17R3.8707 c1cc2c(c(c1)c3ccncc3)CNC2 271570a_100000752145_100000703859 [0,0,0,1,0,1|1,0,0]=3 5678 B17R3.8707 c1cc2c(c(c1)c3ccncc3)COC2 271570a_100000752145_100010384907 [0,0,0,1,0,1|2,0,0]=4 5679 B17R3.8707 c1cc2c(c(c1)c3ccncn3)CCC2 271570a_100010144219_100000703185 [0,0,0,1,0,1|2,0,0]=4 5680 B17R3.8707 c1cc2c(c(c1)c3cnccn3)CCC2 271570a_100010144219_100000758340 [0,0,0,1,0,1|2,0,0]=4 5681 B17R3.8707 c1cc2c(c(c1)c3cnccn3)CCC2 271570a_100011962566_100010343934 [0,0,0,1,0,1|2,0,0]=4 5682 B17R3.8707 c1cc2c(c(c1)c3cnccn3)CNC2 271570a_100011962566_100000703859 [0,0,0,1,0,1|1,0,0]=3 5683 B17R3.8707 c1cc2c(c(c1)c3cnccn3)COC2 271570a_100011962566_100010384907 [0,0,0,1,0,1|2,0,0]=4 5684 B17R3.8707 c1cc2c(c(c1)c3cncnc3)CNC2 271570a_100000707473_100000703859 [0,0,0,1,0,1|2,0,0]=4 5685 B17R3.8707 c1ccc(cc1)c2cccc3c2CCC3 271570a_100010144219_100000210277 [0,0,0,1,0,1|2,0,0]=4 5686 B17R3.8707 c1ccc(cc1)c2cccc3c2CCC3 271570a_100011218836_100010343934 [0,0,0,1,0,1|2,0,0]=4 5687 B17R3.8707 c1ccc(cc1)c2cccc3c2CNC3 271570a_100011218836_100000703859 [0,0,0,1,0,1|1,0,0]=3 5688 B17R3.8707 c1ccc(cc1)c2cccc3c2COC3 271570a_100011218836_100010384907 [0,0,0,1,0,1|2,0,0]=4 5689 B17R3.8707 c1ccc(nc1)c2cccc3c2CCC3 271570a_100010144219_100011216584 [0,0,0,1,0,1|2,0,0]=4 5690 B17R3.8707 c1ccc(nc1)c2cccc3c2CCC3 271570a_100011264011_100010343934 [0,0,0,1,0,1|2,0,0]=4 5691 B17R3.8707 c1ccc(nc1)c2cccc3c2CNC3 271570a_100011264011_100000703859 [0,0,0,1,0,1|1,0,0]=3 5692 B17R3.8707 c1ccc(nc1)c2cccc3c2COC3 271570a_100011264011_100010384907 [0,0,0,1,0,1|2,0,0]=4 5693 B17R3.8707 c1cnc(nc1)c2cccc3c2CCC3 271570a_100010144219_100000211032 [0,0,0,1,0,1|2,0,0]=4 5694 B17R3.8707 c1cncc(c1)c2cccc3c2CCC3 271570a_100000757648_100010343934 [0,0,0,1,0,1|2,0,0]=4 5695 B17R3.8707 c1cncc(c1)c2cccc3c2CCC3 271570a_100010144219_100000752921 [0,0,0,1,0,1|2,0,0]=4 5696 B17R3.8707 c1cncc(c1)c2cccc3c2CNC3 271570a_100000757648_100000703859 [0,0,0,1,0,1|1,0,0]=3 5697 B17R3.8707 c1cncc(c1)c2cccc3c2COC3 271570a_100000757648_100010384907 [0,0,0,1,0,1|2,0,0]=4 5698 B17R3.8707 c1cnnc(c1)c2cccc3c2CCC3 271570a_100010144219_100016991348 [0,0,0,1,0,1|2,0,0]=4 5699 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200000210301 [0,0,0,1,0,1|1,0,0]=3 5700 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 2230a_106832991635_100000211598 [0,0,0,1,0,1|1,0,0]=3 5701 B17R3.182920 CNC1c2ccccc2-c3c1cccc3 7a_106832991635_100000211598 [0,0,0,1,0,1|1,0,0]=3 5702 B17R3.182920 COC1c2ccccc2-c3c1cccc3 7a_100000211495_200000210301 [0,0,0,1,0,1|2,0,0]=4 5703 B17R3.182920 CSC1c2ccccc2-c3c1cccc3 62a_100000211598_200000210301 [0,0,0,1,0,1|2,0,0]=4 5704 B17R3.182920 [13CH3]NC1c2ccccc2-c3c1cccc3 2230a_100000104097_200025704644 [0,0,0,1,0,1|1,0,0]=3 5705 B17R3.182920 [13CH3]OC1c2ccccc2-c3c1cccc3 7a_100000211495_200025704644 [0,0,0,1,0,1|2,0,0]=4 5706 B17R3.182920 [13CH3]SC1c2ccccc2-c3c1cccc3 62a_100000211598_200025704644 [0,0,0,1,0,1|2,0,0]=4 5707 B17R3.109 Cc1oc2ccccc2c1c3cccs3 271570a_100000742291_200010236113 [0,0,0,1,0,1|2,0,0]=4 5708 B17R3.109 Cc1sc2ccccc2c1c3cccs3 271570a_100000742291_100010002616 [0,0,0,1,0,1|2,0,0]=4 5709 B17R3.109 Cn1nc2ccccc2c1c3ccco3 271570a_100000750936_100010163699 [0,0,0,1,0,1|1,1,0]=4 5710 B17R3.109 Cn1nc2ccccc2c1c3cccs3 271570a_100000742291_100010163699 [0,0,0,1,0,1|1,0,0]=3 5711 B17R3.109 Cn1nc2ccccc2c1c3cncs3 271570a_100010231675_100010163699 [0,0,0,1,0,1|2,0,0]=4 5712 B17R3.1910 C1=Cc2cccc(c2C1)Sc3cccs3 62a_100009844718_100011215356 [0,0,0,1,0,1|1,0,1]=4 5713 B17R3.1910 C1=Cc2cccc(c2C1)Sc3cccs3 62a_100011215356_100009844718 [0,0,0,1,0,1|1,0,1]=4 5714 B17R3.1910 c1cc2c(c(c1)Sc3c[nH]cn3)CNC2 62a_100000703859_100000756875 [0,0,0,1,0,1|2,0,0]=4 5715 B17R3.1910 c1cc2c(c(c1)Sc3c[nH]cn3)CNC2 62a_100000756875_100000703859 [0,0,0,1,0,1|2,0,0]=4 5716 B17R3.1910 c1cc2c(c(c1)Sc3cc[nH]n3)CNC2 62a_100000062575_100000703859 [0,0,0,1,0,1|2,0,0]=4 5717 B17R3.1910 c1cc2c(c(c1)Sc3cc[nH]n3)CNC2 62a_100000703859_100000062575 [0,0,0,1,0,1|2,0,0]=4 5718 B17R3.1910 c1cc2c(c(c1)Sc3ccoc3)CNC2 62a_100000703859_100011215275 [0,0,0,1,0,1|2,0,0]=4 5719 B17R3.1910 c1cc2c(c(c1)Sc3ccoc3)CNC2 62a_100011215275_100000703859 [0,0,0,1,0,1|2,0,0]=4 5720 B17R3.1910 c1cc2c(c(c1)Sc3ccon3)CNC2 62a_100000703859_100009818083 [0,0,0,1,0,1|2,0,0]=4 5721 B17R3.1910 c1cc2c(c(c1)Sc3ccon3)CNC2 62a_100009818083_100000703859 [0,0,0,1,0,1|2,0,0]=4 5722 B17R3.1910 c1cc2c(c(c1)Sc3ccsc3)CNC2 62a_100000703859_100000738268 [0,0,0,1,0,1|2,0,0]=4 5723 B17R3.1910 c1cc2c(c(c1)Sc3ccsc3)CNC2 62a_100000738268_100000703859 [0,0,0,1,0,1|2,0,0]=4 5724 B17R3.1910 c1cc2c(c(c1)Sc3ccsn3)CNC2 62a_100000703859_100009818082 [0,0,0,1,0,1|2,0,0]=4 5725 B17R3.1910 c1cc2c(c(c1)Sc3ccsn3)CNC2 62a_100009818082_100000703859 [0,0,0,1,0,1|2,0,0]=4 5726 B17R3.1910 c1cc2c(c(c1)Sc3cnco3)CNC2 62a_100000703859_100020591547 [0,0,0,1,0,1|1,1,0]=4 5727 B17R3.1910 c1cc2c(c(c1)Sc3cnco3)CNC2 62a_100020591547_100000703859 [0,0,0,1,0,1|1,1,0]=4 5728 B17R3.1910 c1cc2c(c(c1)Sc3cncs3)CCC2 62a_100010343934_100011934649 [0,0,0,1,0,1|2,0,0]=4 5729 B17R3.1910 c1cc2c(c(c1)Sc3cncs3)CCC2 62a_100011934649_100010343934 [0,0,0,1,0,1|2,0,0]=4 5730 B17R3.1910 c1cc2c(c(c1)Sc3cncs3)CNC2 62a_100000703859_100011934649 [0,0,0,1,0,1|1,0,0]=3 5731 B17R3.1910 c1cc2c(c(c1)Sc3cncs3)CNC2 62a_100011934649_100000703859 [0,0,0,1,0,1|1,0,0]=3 5732 B17R3.1910 c1cc2c(c(c1)Sc3cncs3)COC2 62a_100010384907_100011934649 [0,0,0,1,0,1|2,0,0]=4 5733 B17R3.1910 c1cc2c(c(c1)Sc3cncs3)COC2 62a_100011934649_100010384907 [0,0,0,1,0,1|2,0,0]=4 5734 B17R3.1910 c1cc2c(c(c1)Sc3cscn3)CNC2 62a_100000703859_100000751502 [0,0,0,1,0,1|2,0,0]=4 5735 B17R3.1910 c1cc2c(c(c1)Sc3cscn3)CNC2 62a_100000751502_100000703859 [0,0,0,1,0,1|2,0,0]=4 5736 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CNC2 62a_100000703859_100025796157 [0,0,0,1,0,1|2,0,0]=4 5737 B17R3.1910 c1cc2c(c(c1)Sc3ncc[nH]3)CNC2 62a_100025796157_100000703859 [0,0,0,1,0,1|2,0,0]=4 5738 B17R3.1910 c1cc2c(c(c1)Sc3ncco3)CNC2 62a_100000703859_100011787736 [0,0,0,1,0,1|1,1,0]=4 5739 B17R3.1910 c1cc2c(c(c1)Sc3ncco3)CNC2 62a_100011787736_100000703859 [0,0,0,1,0,1|1,1,0]=4 5740 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)CCC2 62a_100000211983_100010343934 [0,0,0,1,0,1|2,0,0]=4 5741 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)CCC2 62a_100010343934_100000211983 [0,0,0,1,0,1|2,0,0]=4 5742 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)CNC2 62a_100000211983_100000703859 [0,0,0,1,0,1|1,0,0]=3 5743 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)CNC2 62a_100000703859_100000211983 [0,0,0,1,0,1|1,0,0]=3 5744 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)COC2 62a_100000211983_100010384907 [0,0,0,1,0,1|2,0,0]=4 5745 B17R3.1910 c1cc2c(c(c1)Sc3nccs3)COC2 62a_100010384907_100000211983 [0,0,0,1,0,1|2,0,0]=4 5746 B17R3.1910 c1cc2c(c(c1)Sc3ncns3)CNC2 62a_100000693119_100000703859 [0,0,0,1,0,1|2,0,0]=4 5747 B17R3.1910 c1cc2c(c(c1)Sc3ncns3)CNC2 62a_100000703859_100000693119 [0,0,0,1,0,1|2,0,0]=4 5748 B17R3.1910 c1cc2c(c(c1)Sc3nncs3)CNC2 62a_100000703859_100000739804 [0,0,0,1,0,1|2,0,0]=4 5749 B17R3.1910 c1cc2c(c(c1)Sc3nncs3)CNC2 62a_100000739804_100000703859 [0,0,0,1,0,1|2,0,0]=4 5750 B17R3.1910 c1coc(c1)Sc2cccc3c2CCC3 62a_100009814098_100010343934 [0,0,0,1,0,1|1,1,0]=4 5751 B17R3.1910 c1coc(c1)Sc2cccc3c2CCC3 62a_100010343934_100009814098 [0,0,0,1,0,1|1,1,0]=4 5752 B17R3.1910 c1coc(c1)Sc2cccc3c2CNC3 62a_100000703859_100009814098 [0,0,0,1,0,1|0,1,0]=3 5753 B17R3.1910 c1coc(c1)Sc2cccc3c2CNC3 62a_100009814098_100000703859 [0,0,0,1,0,1|0,1,0]=3 5754 B17R3.1910 c1coc(c1)Sc2cccc3c2COC3 62a_100009814098_100010384907 [0,0,0,1,0,1|1,1,0]=4 5755 B17R3.1910 c1coc(c1)Sc2cccc3c2COC3 62a_100010384907_100009814098 [0,0,0,1,0,1|1,1,0]=4 5756 B17R3.1910 c1csc(c1)Sc2cccc3c2CCC3 62a_100010343934_100011215356 [0,0,0,1,0,1|1,0,0]=3 5757 B17R3.1910 c1csc(c1)Sc2cccc3c2CCC3 62a_100011215356_100010343934 [0,0,0,1,0,1|1,0,0]=3 5758 B17R3.1910 c1csc(c1)Sc2cccc3c2CCN3 62a_100009817896_100011215356 [0,0,0,1,0,1|2,0,0]=4 5759 B17R3.1910 c1csc(c1)Sc2cccc3c2CCN3 62a_100011215356_100009817896 [0,0,0,1,0,1|2,0,0]=4 5760 B17R3.1910 c1csc(c1)Sc2cccc3c2CCO3 62a_100009819624_100011215356 [0,0,0,1,0,1|2,0,0]=4 5761 B17R3.1910 c1csc(c1)Sc2cccc3c2CCO3 62a_100011215356_100009819624 [0,0,0,1,0,1|2,0,0]=4 5762 B17R3.1910 c1csc(c1)Sc2cccc3c2CNC3 62a_100000703859_100011215356 [0,0,0,1,0,1|0,0,0]=2 5763 B17R3.1910 c1csc(c1)Sc2cccc3c2CNC3 62a_100011215356_100000703859 [0,0,0,1,0,1|0,0,0]=2 5764 B17R3.1910 c1csc(c1)Sc2cccc3c2COC3 62a_100010384907_100011215356 [0,0,0,1,0,1|1,0,0]=3 5765 B17R3.1910 c1csc(c1)Sc2cccc3c2COC3 62a_100011215356_100010384907 [0,0,0,1,0,1|1,0,0]=3 5766 B17R3.1910 c1csc(c1)Sc2cccc3c2NCC3 62a_100011215356_100016995435 [0,0,0,1,0,1|2,0,0]=4 5767 B17R3.1910 c1csc(c1)Sc2cccc3c2NCC3 62a_100016995435_100011215356 [0,0,0,1,0,1|2,0,0]=4 5768 B17R3.1910 c1csc(c1)Sc2cccc3c2OCC3 62a_100009818991_100011215356 [0,0,0,1,0,1|2,0,0]=4 5769 B17R3.1910 c1csc(c1)Sc2cccc3c2OCC3 62a_100011215356_100009818991 [0,0,0,1,0,1|2,0,0]=4 5770 B17R3.1910 c1csc(c1)Sc2ccnc3c2CCC3 62a_100000102697_100011215356 [0,0,0,1,0,1|2,0,0]=4 5771 B17R3.1910 c1csc(c1)Sc2ccnc3c2CCC3 62a_100011215356_100000102697 [0,0,0,1,0,1|2,0,0]=4 5772 B17R3.1919 c1ccc(c(c1)Sc2cncs2)C3CC3 62a_100009819954_100011934649 [0,0,0,1,0,1|2,0,0]=4 5773 B17R3.1919 c1ccc(c(c1)Sc2cncs2)C3CC3 62a_100011934649_100009819954 [0,0,0,1,0,1|2,0,0]=4 5774 B17R3.1919 c1ccc(c(c1)Sc2nccs2)C3CC3 62a_100000211983_100009819954 [0,0,0,1,0,1|2,0,0]=4 5775 B17R3.1919 c1ccc(c(c1)Sc2nccs2)C3CC3 62a_100009819954_100000211983 [0,0,0,1,0,1|2,0,0]=4 5776 B17R3.1919 c1coc(c1)Sc2ccccc2C3CC3 62a_100009814098_100009819954 [0,0,0,1,0,1|1,1,0]=4 5777 B17R3.1919 c1coc(c1)Sc2ccccc2C3CC3 62a_100009819954_100009814098 [0,0,0,1,0,1|1,1,0]=4 5778 B17R3.1919 c1csc(c1)Sc2ccccc2C3CC3 62a_100009819954_100011215356 [0,0,0,1,0,1|1,0,0]=3 5779 B17R3.1919 c1csc(c1)Sc2ccccc2C3CC3 62a_100011215356_100009819954 [0,0,0,1,0,1|1,0,0]=3 5780 B17R3.1919 c1csc(c1)Sc2ncccc2C3CC3 62a_100011215356_100009851976 [0,0,0,1,0,1|2,0,0]=4 5781 B17R3.1919 c1csc(c1)Sc2ncccc2C3CC3 62a_200009850273_100011215356 [0,0,0,1,0,1|2,0,0]=4 5782 B17R3.2378 Brc1csc(n1)c2ccccc2C3CC3 271570a_100010231911_200016082925 [0,1,0,1,0,0|2,0,0]=4 5783 B17R3.2378 Cc1cc(sn1)c2ccccc2C3CC3 271570a_100010231911_100009815735 [0,1,0,1,0,0|2,0,0]=4 5784 B17R3.2378 Cc1ccc(o1)c2ccccc2C3CC3 271570a_100000061910_100009819954 [0,1,0,1,0,0|1,1,0]=4 5785 B17R3.2378 Cc1ccc(s1)c2ccccc2C3CC3 271570a_100010231911_100000761539 [0,1,0,1,0,0|1,0,0]=3 5786 B17R3.2378 Cc1ccc(s1)c2ccccc2C3CC3 271570a_100011934456_100009819954 [0,1,0,1,0,0|1,0,0]=3 5787 B17R3.2378 Cc1ccc(s1)c2ncccc2C3CC3 271570a_100011934456_100009851976 [0,1,0,1,0,0|2,0,0]=4 5788 B17R3.2378 Cc1cnc(s1)c2ccccc2C3CC3 271570a_100010231911_100000690809 [0,1,0,1,0,0|2,0,0]=4 5789 B17R3.2378 Cc1csc(c1)c2ccccc2C3CC3 271570a_100000038307_100009819954 [0,1,0,1,0,0|1,0,0]=3 5790 B17R3.2378 Cc1csc(c1)c2ccccc2C3CC3 271570a_100010231911_100009876951 [0,1,0,1,0,0|1,0,0]=3 5791 B17R3.2378 Cc1csc(c1)c2ncccc2C3CC3 271570a_100000038307_100009851976 [0,1,0,1,0,0|2,0,0]=4 5792 B17R3.2378 Cc1csc(n1)c2ccccc2C3CC3 271570a_100010231911_100011291629 [0,1,0,1,0,0|2,0,0]=4 5793 B17R3.2378 Cc1ncc(s1)c2ccccc2C3CC3 271570a_100000696845_100009819954 [0,1,0,1,0,0|2,0,0]=4 5794 B17R3.2378 Cc1ncc(s1)c2ccccc2C3CC3 271570a_100010231911_100000764884 [0,1,0,1,0,0|2,0,0]=4 5795 B17R3.2378 Clc1ccc(s1)c2ccccc2C3CC3 271570a_100000708867_100009819954 [0,1,0,1,0,0|1,0,0]=3 5796 B17R3.2378 Clc1ccc(s1)c2ncccc2C3CC3 271570a_100000708867_100009851976 [0,1,0,1,0,0|2,0,0]=4 5797 B17R3.2378 Nc1csc(n1)c2ccccc2C3CC3 271570a_100010231911_200015188442 [0,1,0,1,0,0|2,0,0]=4 5798 B17R3.17527 Brc1ccc(s1)c2cccc3c2CCC3 271570a_100010144219_100010197418 [0,1,0,1,0,0|1,0,0]=3 5799 B17R3.17527 Brc1ccc(s1)c2cccc3c2OCC3 271570a_100012360005_100010197418 [0,1,0,1,0,0|2,0,0]=4 5800 B17R3.17527 Brc1csc(n1)c2cccc3c2CCC3 271570a_100010144219_200016082925 [0,1,0,1,0,0|2,0,0]=4 5801 B17R3.17527 Cc1cc(cs1)c2cccc3c2CNC3 271570a_100000699828_100000703859 [0,1,0,1,0,0|2,0,0]=4 5802 B17R3.17527 Cc1cc(n[nH]1)c2cccc3c2CNC3 271570a_100009872134_100000703859 [0,1,0,1,0,0|2,0,0]=4 5803 B17R3.17527 Cc1cc(sn1)c2cccc3c2CCC3 271570a_100010144219_100009815735 [0,1,0,1,0,0|2,0,0]=4 5804 B17R3.17527 Cc1ccc(o1)c2cccc3c2CCC3 271570a_100000061910_100010343934 [0,1,0,1,0,0|1,1,0]=4 5805 B17R3.17527 Cc1ccc(o1)c2cccc3c2CNC3 271570a_100000061910_100000703859 [0,1,0,1,0,0|0,1,0]=3 5806 B17R3.17527 Cc1ccc(o1)c2cccc3c2COC3 271570a_100000061910_100010384907 [0,1,0,1,0,0|1,1,0]=4 5807 B17R3.17527 Cc1ccc(s1)c2cccc3c2CC=C3 271570a_100011934456_100009844718 [0,1,0,1,0,0|1,0,1]=4 5808 B17R3.17527 Cc1ccc(s1)c2cccc3c2CCC3 271570a_100010144219_100000761539 [0,1,0,1,0,0|1,0,0]=3 5809 B17R3.17527 Cc1ccc(s1)c2cccc3c2CCC3 271570a_100011934456_100010343934 [0,1,0,1,0,0|1,0,0]=3 5810 B17R3.17527 Cc1ccc(s1)c2cccc3c2CCN3 271570a_100011934456_100009817896 [0,1,0,1,0,0|2,0,0]=4 5811 B17R3.17527 Cc1ccc(s1)c2cccc3c2CCO3 271570a_100011934456_100009819624 [0,1,0,1,0,0|2,0,0]=4 5812 B17R3.17527 Cc1ccc(s1)c2cccc3c2CNC3 271570a_100011934456_100000703859 [0,1,0,1,0,0|0,0,0]=2 5813 B17R3.17527 Cc1ccc(s1)c2cccc3c2COC3 271570a_100011934456_100010384907 [0,1,0,1,0,0|1,0,0]=3 5814 B17R3.17527 Cc1ccc(s1)c2cccc3c2NCC3 271570a_100011934456_100016995435 [0,1,0,1,0,0|2,0,0]=4 5815 B17R3.17527 Cc1ccc(s1)c2cccc3c2OCC3 271570a_100011934456_100009818991 [0,1,0,1,0,0|2,0,0]=4 5816 B17R3.17527 Cc1ccc(s1)c2cccc3c2OCC3 271570a_100012360005_100000761539 [0,1,0,1,0,0|2,0,0]=4 5817 B17R3.17527 Cc1ccc(s1)c2ccnc3c2CCC3 271570a_100011934456_100000102697 [0,1,0,1,0,0|2,0,0]=4 5818 B17R3.17527 Cc1cnc(s1)c2cccc3c2CCC3 271570a_100010144219_100000690809 [0,1,0,1,0,0|2,0,0]=4 5819 B17R3.17527 Cc1csc(c1)c2cccc3c2CC=C3 271570a_100000038307_100009844718 [0,1,0,1,0,0|1,0,1]=4 5820 B17R3.17527 Cc1csc(c1)c2cccc3c2CCC3 271570a_100000038307_100010343934 [0,1,0,1,0,0|1,0,0]=3 5821 B17R3.17527 Cc1csc(c1)c2cccc3c2CCC3 271570a_100010144219_100009876951 [0,1,0,1,0,0|1,0,0]=3 5822 B17R3.17527 Cc1csc(c1)c2cccc3c2CCN3 271570a_100000038307_100009817896 [0,1,0,1,0,0|2,0,0]=4 5823 B17R3.17527 Cc1csc(c1)c2cccc3c2CCO3 271570a_100000038307_100009819624 [0,1,0,1,0,0|2,0,0]=4 5824 B17R3.17527 Cc1csc(c1)c2cccc3c2CNC3 271570a_100000038307_100000703859 [0,1,0,1,0,0|0,0,0]=2 5825 B17R3.17527 Cc1csc(c1)c2cccc3c2COC3 271570a_100000038307_100010384907 [0,1,0,1,0,0|1,0,0]=3 5826 B17R3.17527 Cc1csc(c1)c2cccc3c2NCC3 271570a_100000038307_100016995435 [0,1,0,1,0,0|2,0,0]=4 5827 B17R3.17527 Cc1csc(c1)c2cccc3c2OCC3 271570a_100000038307_100009818991 [0,1,0,1,0,0|2,0,0]=4 5828 B17R3.17527 Cc1csc(c1)c2cccc3c2OCC3 271570a_100012360005_100009876951 [0,1,0,1,0,0|2,0,0]=4 5829 B17R3.17527 Cc1csc(c1)c2ccnc3c2CCC3 271570a_100000038307_100000102697 [0,1,0,1,0,0|2,0,0]=4 5830 B17R3.17527 Cc1csc(n1)c2cccc3c2CCC3 271570a_100010144219_100011291629 [0,1,0,1,0,0|2,0,0]=4 5831 B17R3.17527 Cc1ncc(s1)c2cccc3c2CCC3 271570a_100000696845_100010343934 [0,1,0,1,0,0|2,0,0]=4 5832 B17R3.17527 Cc1ncc(s1)c2cccc3c2CCC3 271570a_100010144219_100000764884 [0,1,0,1,0,0|2,0,0]=4 5833 B17R3.17527 Cc1ncc(s1)c2cccc3c2CNC3 271570a_100000696845_100000703859 [0,1,0,1,0,0|1,0,0]=3 5834 B17R3.17527 Cc1ncc(s1)c2cccc3c2COC3 271570a_100000696845_100010384907 [0,1,0,1,0,0|2,0,0]=4 5835 B17R3.17527 Clc1ccc(s1)c2cccc3c2CC=C3 271570a_100000708867_100009844718 [0,1,0,1,0,0|1,0,1]=4 5836 B17R3.17527 Clc1ccc(s1)c2cccc3c2CCC3 271570a_100000708867_100010343934 [0,1,0,1,0,0|1,0,0]=3 5837 B17R3.17527 Clc1ccc(s1)c2cccc3c2CCN3 271570a_100000708867_100009817896 [0,1,0,1,0,0|2,0,0]=4 5838 B17R3.17527 Clc1ccc(s1)c2cccc3c2CCO3 271570a_100000708867_100009819624 [0,1,0,1,0,0|2,0,0]=4 5839 B17R3.17527 Clc1ccc(s1)c2cccc3c2CNC3 271570a_100000708867_100000703859 [0,1,0,1,0,0|0,0,0]=2 5840 B17R3.17527 Clc1ccc(s1)c2cccc3c2COC3 271570a_100000708867_100010384907 [0,1,0,1,0,0|1,0,0]=3 5841 B17R3.17527 Clc1ccc(s1)c2cccc3c2NCC3 271570a_100000708867_100016995435 [0,1,0,1,0,0|2,0,0]=4 5842 B17R3.17527 Clc1ccc(s1)c2cccc3c2OCC3 271570a_100000708867_100009818991 [0,1,0,1,0,0|2,0,0]=4 5843 B17R3.17527 Clc1ccc(s1)c2ccnc3c2CCC3 271570a_100000708867_100000102697 [0,1,0,1,0,0|2,0,0]=4 5844 B17R3.17527 Cn1ccc(c1)c2cccc3c2CNC3 271570a_100010172022_100000703859 [0,1,0,1,0,0|2,0,0]=4 5845 B17R3.17527 Cn1ccc(n1)c2cccc3c2CNC3 271570a_100012348833_100000703859 [0,1,0,1,0,0|2,0,0]=4 5846 B17R3.17527 Nc1csc(n1)c2cccc3c2CCC3 271570a_100010144219_200015188442 [0,1,0,1,0,0|2,0,0]=4 5847 B17R3.17527 O=C1C=C(CC1)c2cccc3c2CNC3 271570a_100010737933_100000703859 [0,1,0,1,0,0|1,0,1]=4 5848 B17R3.3 Cc1c[nH]c2c1cccc2c3cccs3 271570a_100000742291_100010186758 [0,1,0,1,0,0|1,0,1]=4 5849 B17R3.3 Cc1n[nH]c2c1cccc2c3cccs3 271570a_100000742291_100010255084 [0,1,0,1,0,0|1,0,1]=4 5850 B17R3.3 Cc1n[nH]c2c1cccc2c3cccs3 271570a_200010082704_100011215356 [0,1,0,1,0,0|1,0,1]=4 5851 B17R3.3 Cn1ccc2c1cccc2c3ccco3 271570a_100000750936_200011934935 [0,1,0,1,0,0|0,1,1]=4 5852 B17R3.3 Cn1ccc2c1cccc2c3ccco3 271570a_100010197305_100009814098 [0,1,0,1,0,0|0,1,1]=4 5853 B17R3.3 Cn1ccc2c1cccc2c3cccs3 271570a_100000742291_200011934935 [0,1,0,1,0,0|0,0,1]=3 5854 B17R3.3 Cn1ccc2c1cccc2c3cccs3 271570a_100010197305_100011215356 [0,1,0,1,0,0|0,0,1]=3 5855 B17R3.3 Cn1ccc2c1cccc2c3cncs3 271570a_100010197305_100011934649 [0,1,0,1,0,0|1,0,1]=4 5856 B17R3.3 Cn1ccc2c1cccc2c3cncs3 271570a_100010231675_200011934935 [0,1,0,1,0,0|1,0,1]=4 5857 B17R3.3 Cn1ccc2c1cccc2c3nccs3 271570a_100010197305_100000211983 [0,1,0,1,0,0|1,0,1]=4 5858 B17R3.3 Cn1ccc2c1ccnc2c3cccs3 271570a_100000742291_100000048735 [0,1,0,1,0,0|1,0,1]=4 5859 B17R3.3 Cn1ccc2c1nccc2c3cccs3 271570a_100000742291_100010168893 [0,1,0,1,0,0|1,0,1]=4 5860 B17R3.3 Cn1ccc2c1nccc2c3cccs3 271570a_100010113448_100011215356 [0,1,0,1,0,0|1,0,1]=4 5861 B17R3.3 Cn1cnc2c1cccc2c3ccco3 271570a_100000750936_100000696766 [0,1,0,1,0,0|0,1,1]=4 5862 B17R3.3 Cn1cnc2c1cccc2c3cccs3 271570a_100000742291_100000696766 [0,1,0,1,0,0|0,0,1]=3 5863 B17R3.3 Cn1cnc2c1cccc2c3cncs3 271570a_100010231675_100000696766 [0,1,0,1,0,0|1,0,1]=4 5864 B17R3.3 Cn1cnc2c1ccnc2c3cccs3 271570a_100000742291_100000075535 [0,1,0,1,0,0|1,0,1]=4 5865 B17R3.3 Cn1cnc2c1cncc2c3cccs3 271570a_100000742291_100015620871 [0,1,0,1,0,0|1,0,1]=4 5866 B17R3.3 Cn1ncc2c1cccc2c3ccco3 271570a_100000750936_100009817161 [0,1,0,1,0,0|0,1,1]=4 5867 B17R3.3 Cn1ncc2c1cccc2c3ccco3 271570a_100010232143_100009814098 [0,1,0,1,0,0|0,1,1]=4 5868 B17R3.3 Cn1ncc2c1cccc2c3cccs3 271570a_100000742291_100009817161 [0,1,0,1,0,0|0,0,1]=3 5869 B17R3.3 Cn1ncc2c1cccc2c3cccs3 271570a_100010232143_100011215356 [0,1,0,1,0,0|0,0,1]=3 5870 B17R3.3 Cn1ncc2c1cccc2c3cncs3 271570a_100010231675_100009817161 [0,1,0,1,0,0|1,0,1]=4 5871 B17R3.3 Cn1ncc2c1cccc2c3cncs3 271570a_100010232143_100011934649 [0,1,0,1,0,0|1,0,1]=4 5872 B17R3.3 Cn1ncc2c1cccc2c3nccs3 271570a_100010232143_100000211983 [0,1,0,1,0,0|1,0,1]=4 5873 B17R3.3 Cn1ncc2c1ccnc2c3cccs3 271570a_100000742291_100015332818 [0,1,0,1,0,0|1,0,1]=4 5874 B17R3.3 Cn1ncc2c1cncc2c3cccs3 271570a_100000742291_100010218354 [0,1,0,1,0,0|1,0,1]=4 5875 B17R3.3 Cn1ncc2c1nccc2c3cccs3 271570a_100000742291_100013479686 [0,1,0,1,0,0|1,0,1]=4 5876 B17R3.3 NC1CCc2c1cccc2c3ccco3 271570a_100000750936_100000751068 [0,1,0,1,0,0|1,1,0]=4 5877 B17R3.3 NC1CCc2c1cccc2c3cccs3 271570a_100000742291_100000751068 [0,1,0,1,0,0|1,0,0]=3 5878 B17R3.3 NC1CCc2c1cccc2c3cncs3 271570a_100010231675_100000751068 [0,1,0,1,0,0|2,0,0]=4 5879 B17R3.3 NC1COc2c1cccc2c3cccs3 271570a_100000742291_100025715106 [0,1,0,1,0,0|2,0,0]=4 5880 B17R3.3 O=C1CCc2c1cccc2c3cccs3 271570a_100000742291_100000744605 [0,1,0,1,0,0|1,0,1]=4 5881 B17R3.3 O=C1CCc2c1cccc2c3cccs3 271570a_100010208572_100011215356 [0,1,0,1,0,0|1,0,1]=4 5882 B17R3.3 O=C1COc2c1cccc2c3cccs3 271570a_100000742291_100011230590 [0,1,0,1,0,0|2,0,0]=4 5883 B17R3.3 O=C1NCc2c1cccc2c3ccco3 271570a_100000750936_100000688282 [0,1,0,1,0,0|0,1,1]=4 5884 B17R3.3 O=C1NCc2c1cccc2c3ccco3 271570a_100010243653_100009814098 [0,1,0,1,0,0|0,1,1]=4 5885 B17R3.3 O=C1NCc2c1cccc2c3cccs3 271570a_100000742291_100000688282 [0,1,0,1,0,0|0,0,1]=3 5886 B17R3.3 O=C1NCc2c1cccc2c3cccs3 271570a_100010243653_100011215356 [0,1,0,1,0,0|0,0,1]=3 5887 B17R3.3 O=C1NCc2c1cccc2c3cncs3 271570a_100010231675_100000688282 [0,1,0,1,0,0|1,0,1]=4 5888 B17R3.3 O=C1NCc2c1cccc2c3cncs3 271570a_100010243653_100011934649 [0,1,0,1,0,0|1,0,1]=4 5889 B17R3.3 O=C1NCc2c1cccc2c3nccs3 271570a_100010243653_100000211983 [0,1,0,1,0,0|1,0,1]=4 5890 B17R3.3 O=C1OCc2c1cccc2c3cccs3 271570a_100000742291_100010167076 [0,1,0,1,0,0|1,0,1]=4 5891 B17R3.3 O=c1[nH][nH]c2c1cccc2c3cccs3 271570a_100000742291_100012199144 [0,1,0,1,0,0|1,0,1]=4 5892 B17R3.3 OC1CCc2c1nccc2c3cccs3 271570a_100000742291_100009868430 [0,1,0,1,0,0|2,0,0]=4 5893 B17R3.3 O[C@H]1CCc2c1cccc2c3ccco3 271570a_100000750936_100010080924 [0,1,0,1,0,0|1,1,0]=4 5894 B17R3.3 O[C@H]1CCc2c1cccc2c3cccs3 271570a_100000742291_100010080924 [0,1,0,1,0,0|1,0,0]=3 5895 B17R3.3 O[C@H]1CCc2c1cccc2c3cncs3 271570a_100010231675_100010080924 [0,1,0,1,0,0|2,0,0]=4 5896 B17R3.865 CNc1nc2ccccc2c3c1cco3 27a_100102657272_200010025853 [0,1,0,1,0,0|0,1,1]=4 5897 B17R3.1904 c1ccc(c(c1)OC2CC2)c3cncs3 271570a_100009851630_100011934649 [0,1,0,1,0,0|2,0,0]=4 5898 B17R3.1904 c1ccc(c(c1)OC2CC2)c3cncs3 271570a_100010231675_100012344913 [0,1,0,1,0,0|2,0,0]=4 5899 B17R3.1904 c1ccc(c(c1)OC2CC2)c3nccs3 271570a_100009851630_100000211983 [0,1,0,1,0,0|2,0,0]=4 5900 B17R3.1904 c1ccc(c(c1)SC2CC2)c3nccs3 62a_103496549459_100000211595 [0,1,0,1,0,0|2,0,0]=4 5901 B17R3.1904 c1coc(c1)c2ccccc2NC3CC3 34a_200020605208_100000211595 [0,1,0,1,0,0|1,1,0]=4 5902 B17R3.1904 c1coc(c1)c2ccccc2OC3CC3 271570a_100000750936_100012344913 [0,1,0,1,0,0|1,1,0]=4 5903 B17R3.1904 c1coc(c1)c2ccccc2OC3CC3 271570a_100009851630_100009814098 [0,1,0,1,0,0|1,1,0]=4 5904 B17R3.1904 c1csc(c1)c2ccccc2OC3CC3 271570a_100000742291_100012344913 [0,1,0,1,0,0|1,0,0]=3 5905 B17R3.1904 c1csc(c1)c2ccccc2OC3CC3 271570a_100009851630_100011215356 [0,1,0,1,0,0|1,0,0]=3 5906 B17R3.135 CC1=Cc2cccc(c2C1)c3ccco3 271570a_100000750936_100010271545 [0,1,0,1,0,0|1,1,0]=4 5907 B17R3.135 CC1=Cc2cccc(c2C1)c3cccs3 271570a_100000742291_100010271545 [0,1,0,1,0,0|1,0,0]=3 5908 B17R3.135 CC1=Cc2cccc(c2C1)c3cncs3 271570a_100010231675_100010271545 [0,1,0,1,0,0|2,0,0]=4 5909 B17R3.135 Cc1cc2c(cccc2[nH]1)c3cccs3 271570a_100000742291_100010143266 [0,1,0,1,0,0|1,0,1]=4 5910 B17R3.135 Cc1cc2cccc(c2[nH]1)c3cccs3 271570a_100010199775_100011215356 [0,1,0,1,0,0|2,0,0]=4 5911 B17R3.135 Cc1nc2c(cccc2[nH]1)c3cccs3 271570a_100000742291_100012360556 [0,1,0,1,0,0|2,0,0]=4 5912 B17R3.135 Cc1nc2c(cccc2o1)c3cccs3 271570a_100000742291_100010883239 [0,1,0,1,0,0|2,0,0]=4 5913 B17R3.135 Cc1nc2c(cccc2s1)c3cccs3 271570a_100000742291_100010236672 [0,1,0,1,0,0|2,0,0]=4 5914 B17R3.135 Cc1nc2cccc(c2o1)c3cccs3 271570a_100000742291_100010168998 [0,1,0,1,0,0|2,0,0]=4 5915 B17R3.135 Cc1nc2cccc(c2s1)c3cccs3 271570a_100000742291_100010236699 [0,1,0,1,0,0|2,0,0]=4 5916 B17R3.135 Cn1cc2c(cccc2n1)c3ccco3 271570a_100000750936_100009817162 [0,1,0,1,0,0|0,1,1]=4 5917 B17R3.135 Cn1cc2c(cccc2n1)c3ccco3 271570a_100010235579_100009814098 [0,1,0,1,0,0|0,1,1]=4 5918 B17R3.135 Cn1cc2c(cccc2n1)c3cccs3 271570a_100000742291_100009817162 [0,1,0,1,0,0|0,0,1]=3 5919 B17R3.135 Cn1cc2c(cccc2n1)c3cccs3 271570a_100010235579_100011215356 [0,1,0,1,0,0|0,0,1]=3 5920 B17R3.135 Cn1cc2c(cccc2n1)c3cncs3 271570a_100010231675_100009817162 [0,1,0,1,0,0|1,0,1]=4 5921 B17R3.135 Cn1cc2c(cccc2n1)c3cncs3 271570a_100010235579_100011934649 [0,1,0,1,0,0|1,0,1]=4 5922 B17R3.135 Cn1cc2c(cccc2n1)c3nccs3 271570a_100010235579_100000211983 [0,1,0,1,0,0|1,0,1]=4 5923 B17R3.135 Cn1cc2c(cncc2n1)c3cccs3 271570a_100000742291_100135144457 [0,1,0,1,0,0|1,0,1]=4 5924 B17R3.135 Cn1cc2cccc(c2n1)c3ccco3 271570a_100000750936_100009817170 [0,1,0,1,0,0|1,1,0]=4 5925 B17R3.135 Cn1cc2cccc(c2n1)c3ccco3 271570a_100010235580_100009814098 [0,1,0,1,0,0|1,1,0]=4 5926 B17R3.135 Cn1cc2cccc(c2n1)c3cccs3 271570a_100000742291_100009817170 [0,1,0,1,0,0|1,0,0]=3 5927 B17R3.135 Cn1cc2cccc(c2n1)c3cccs3 271570a_100010235580_100011215356 [0,1,0,1,0,0|1,0,0]=3 5928 B17R3.135 Cn1cc2cccc(c2n1)c3cncs3 271570a_100010231675_100009817170 [0,1,0,1,0,0|2,0,0]=4 5929 B17R3.135 Cn1cc2cccc(c2n1)c3cncs3 271570a_100010235580_100011934649 [0,1,0,1,0,0|2,0,0]=4 5930 B17R3.135 Cn1cc2cccc(c2n1)c3nccs3 271570a_100010235580_100000211983 [0,1,0,1,0,0|2,0,0]=4 5931 B17R3.135 Cn1cc2ccnc(c2n1)c3cccs3 271570a_100000742291_100010890759 [0,1,0,1,0,0|2,0,0]=4 5932 B17R3.135 O=C1Cc2c(cccc2c3cccs3)N1 271570a_100000742291_100009816812 [0,1,0,1,0,0|2,0,0]=4 5933 B17R3.135 O=C1Cc2c(cccc2c3cccs3)N1 271570a_100010239623_100011215356 [0,1,0,1,0,0|2,0,0]=4 5934 B17R3.135 O=C1Cc2cccc(c2C1)c3ccco3 271570a_100000750936_100010205903 [0,1,0,1,0,0|1,1,0]=4 5935 B17R3.135 O=C1Cc2cccc(c2C1)c3cccs3 271570a_100000742291_100010205903 [0,1,0,1,0,0|1,0,0]=3 5936 B17R3.135 O=C1Cc2cccc(c2C1)c3cncs3 271570a_100010231675_100010205903 [0,1,0,1,0,0|2,0,0]=4 5937 B17R3.135 O=C1Cc2cccc(c2N1)c3cccs3 271570a_100000742291_100000767046 [0,1,0,1,0,0|2,0,0]=4 5938 B17R3.135 O=C1Cc2cccc(c2N1)c3cccs3 271570a_100010245849_100011215356 [0,1,0,1,0,0|2,0,0]=4 5939 B17R3.135 OC1Cc2cccc(c2C1)c3ccco3 271570a_100000750936_100010752598 [0,1,0,1,0,0|1,1,0]=4 5940 B17R3.135 OC1Cc2cccc(c2C1)c3cccs3 271570a_100000742291_100010752598 [0,1,0,1,0,0|1,0,0]=3 5941 B17R3.135 OC1Cc2cccc(c2C1)c3cncs3 271570a_100010231675_100010752598 [0,1,0,1,0,0|2,0,0]=4 5942 B17R3.4837 Nc1ccc(c2c1CCC2)c3ccco3 271570a_100000750936_200010751103 [0,1,0,1,0,0|1,1,0]=4 5943 B17R3.4837 Nc1ccc(c2c1CCC2)c3cccs3 271570a_100000742291_200010751103 [0,1,0,1,0,0|1,0,0]=3 5944 B17R3.4837 Nc1ccc(c2c1CCC2)c3cncs3 271570a_100010231675_200010751103 [0,1,0,1,0,0|2,0,0]=4 5945 B17R3.61554 Nc1ccc(c(c1)C2CC2)c3ccco3 271570a_100000750936_100010281208 [0,1,0,1,0,0|1,1,0]=4 5946 B17R3.61554 Nc1ccc(c(c1)C2CC2)c3cccs3 271570a_100000742291_100010281208 [0,1,0,1,0,0|1,0,0]=3 5947 B17R3.61554 Nc1ccc(c(c1)C2CC2)c3cncs3 271570a_100010231675_100010281208 [0,1,0,1,0,0|2,0,0]=4 5948 B17R3.2637 Brc1ccsc1c2cccc3c2CCC3 271570a_100010144219_100012361411 [0,1,0,1,0,0|1,0,0]=3 5949 B17R3.2637 Brc1ccsc1c2cccc3c2OCC3 271570a_100012360005_100012361411 [0,1,0,1,0,0|2,0,0]=4 5950 B17R3.2637 Cc1c[nH]nc1c2cccc3c2CNC3 271570a_100102527747_100000703859 [0,1,0,1,0,0|2,0,0]=4 5951 B17R3.2637 Cc1ccsc1c2cccc3c2CC=C3 271570a_100000734444_100009844718 [0,1,0,1,0,0|1,0,1]=4 5952 B17R3.2637 Cc1ccsc1c2cccc3c2CCC3 271570a_100000734444_100010343934 [0,1,0,1,0,0|1,0,0]=3 5953 B17R3.2637 Cc1ccsc1c2cccc3c2CCC3 271570a_100010144219_100000742657 [0,1,0,1,0,0|1,0,0]=3 5954 B17R3.2637 Cc1ccsc1c2cccc3c2CCN3 271570a_100000734444_100009817896 [0,1,0,1,0,0|2,0,0]=4 5955 B17R3.2637 Cc1ccsc1c2cccc3c2CCO3 271570a_100000734444_100009819624 [0,1,0,1,0,0|2,0,0]=4 5956 B17R3.2637 Cc1ccsc1c2cccc3c2CNC3 271570a_100000734444_100000703859 [0,1,0,1,0,0|0,0,0]=2 5957 B17R3.2637 Cc1ccsc1c2cccc3c2COC3 271570a_100000734444_100010384907 [0,1,0,1,0,0|1,0,0]=3 5958 B17R3.2637 Cc1ccsc1c2cccc3c2NCC3 271570a_100000734444_100016995435 [0,1,0,1,0,0|2,0,0]=4 5959 B17R3.2637 Cc1ccsc1c2cccc3c2OCC3 271570a_100000734444_100009818991 [0,1,0,1,0,0|2,0,0]=4 5960 B17R3.2637 Cc1ccsc1c2cccc3c2OCC3 271570a_100012360005_100000742657 [0,1,0,1,0,0|2,0,0]=4 5961 B17R3.2637 Cc1ccsc1c2ccnc3c2CCC3 271570a_100000734444_100000102697 [0,1,0,1,0,0|2,0,0]=4 5962 B17R3.2637 Cc1cscc1c2cccc3c2CNC3 271570a_100000069996_100000703859 [0,1,0,1,0,0|2,0,0]=4 5963 B17R3.2637 Cc1ncsc1c2cccc3c2CCC3 271570a_100010115231_100010343934 [0,1,0,1,0,0|2,0,0]=4 5964 B17R3.2637 Cc1ncsc1c2cccc3c2CCC3 271570a_100010144219_100009817116 [0,1,0,1,0,0|2,0,0]=4 5965 B17R3.2637 Cc1ncsc1c2cccc3c2CNC3 271570a_100010115231_100000703859 [0,1,0,1,0,0|1,0,0]=3 5966 B17R3.2637 Cc1ncsc1c2cccc3c2COC3 271570a_100010115231_100010384907 [0,1,0,1,0,0|2,0,0]=4 5967 B17R3.2637 Cc1occc1c2cccc3c2CNC3 271570a_100000070625_100000703859 [0,1,0,1,0,0|2,0,0]=4 5968 B17R3.2637 Cc1sccc1c2cccc3c2CNC3 271570a_100012356473_100000703859 [0,1,0,1,0,0|2,0,0]=4 5969 B17R3.2637 Clc1sccc1c2cccc3c2CNC3 271570a_100000117213_100000703859 [0,1,0,1,0,0|2,0,0]=4 5970 B17R3.2637 Cn1cccc1c2cccc3c2CCC3 271570a_100000068268_100010343934 [0,1,0,1,0,0|2,0,0]=4 5971 B17R3.2637 Cn1cccc1c2cccc3c2CNC3 271570a_100000068268_100000703859 [0,1,0,1,0,0|1,0,0]=3 5972 B17R3.2637 Cn1cccc1c2cccc3c2COC3 271570a_100000068268_100010384907 [0,1,0,1,0,0|2,0,0]=4 5973 B17R3.2637 Cn1cncc1c2cccc3c2CNC3 271570a_100009892668_100000703859 [0,1,0,1,0,0|2,0,0]=4 5974 B17R3.2637 Cn1nccc1c2cccc3c2CNC3 271570a_100000707534_100000703859 [0,1,0,1,0,0|2,0,0]=4 5975 B17R3.2655 Cc1ccsc1c2ccccc2C3CC3 271570a_100000734444_100009819954 [0,1,0,1,0,0|1,0,0]=3 5976 B17R3.2655 Cc1ccsc1c2ccccc2C3CC3 271570a_100010231911_100000742657 [0,1,0,1,0,0|1,0,0]=3 5977 B17R3.2655 Cc1ccsc1c2ncccc2C3CC3 271570a_100000734444_100009851976 [0,1,0,1,0,0|2,0,0]=4 5978 B17R3.2655 Cc1ncsc1c2ccccc2C3CC3 271570a_100010115231_100009819954 [0,1,0,1,0,0|2,0,0]=4 5979 B17R3.2655 Cc1ncsc1c2ccccc2C3CC3 271570a_100010231911_100009817116 [0,1,0,1,0,0|2,0,0]=4 5980 B17R3.2655 Cn1cccc1c2ccccc2C3CC3 271570a_100000068268_100009819954 [0,1,0,1,0,0|2,0,0]=4 5981 B17R3.20213 NC1(CC1)c2ccccc2c3ccco3 271570a_100000750936_200000691159 [0,1,0,1,0,0|1,1,0]=4 5982 B17R3.20213 NC1(CC1)c2ccccc2c3cccs3 271570a_100000742291_200000691159 [0,1,0,1,0,0|1,0,0]=3 5983 B17R3.20213 NC1(CC1)c2ccccc2c3cncs3 271570a_100010231675_200000691159 [0,1,0,1,0,0|2,0,0]=4 5984 B17R3.30068 NC1CCc2c1c(ccc2)c3ccco3 271570a_100000750936_100103168669 [0,1,0,1,0,0|1,1,0]=4 5985 B17R3.30068 NC1CCc2c1c(ccc2)c3cccs3 271570a_100000742291_100103168669 [0,1,0,1,0,0|1,0,0]=3 5986 B17R3.30068 NC1CCc2c1c(ccc2)c3cncs3 271570a_100010231675_100103168669 [0,1,0,1,0,0|2,0,0]=4 5987 B17R3.30068 O=C1CCc2c1c(ccc2)c3cccs3 271570a_100000742291_100009816781 [0,1,0,1,0,0|1,0,1]=4 5988 B17R3.30068 O=C1NCc2c1c(ccc2)c3ccco3 271570a_100000750936_100000724024 [0,1,0,1,0,0|0,1,1]=4 5989 B17R3.30068 O=C1NCc2c1c(ccc2)c3cccs3 271570a_100000742291_100000724024 [0,1,0,1,0,0|0,0,1]=3 5990 B17R3.30068 O=C1NCc2c1c(ccc2)c3cncs3 271570a_100010231675_100000724024 [0,1,0,1,0,0|1,0,1]=4 5991 B17R3.30068 O=C1OCc2c1c(ccc2)c3cccs3 271570a_100000742291_100010132333 [0,1,0,1,0,0|1,0,1]=4 5992 B17R3.30068 O=c1[nH][nH]c2c1c(ccc2)c3cccs3 271570a_100000742291_100010170957 [0,1,0,1,0,0|1,0,1]=4 5993 B17R3.30068 OC1CSc2c1c(ccc2)c3cccs3 271570a_100000742291_200010991195 [0,1,0,1,0,0|2,0,0]=4 5994 B17R3.104 Brc1cc2c(c(c1)c3cccs3)OCC2 271570a_200010062392_100011215356 [0,1,0,1,0,0|2,0,0]=4 5995 B17R3.5247 Fc1cccc(c1C2CC2)c3ccco3 271570a_100000750936_100010780639 [0,1,0,1,0,0|1,1,0]=4 5996 B17R3.5247 Fc1cccc(c1C2CC2)c3cccs3 271570a_100000742291_100010780639 [0,1,0,1,0,0|1,0,0]=3 5997 B17R3.5247 Fc1cccc(c1C2CC2)c3cncs3 271570a_100010231675_100010780639 [0,1,0,1,0,0|2,0,0]=4 5998 B13R2.61 CCc1ccsc1c2ccco2 271570a_100000750936_200009875468 [1,0,0,0,1,0|1,1,0]=4 5999 B13R2.61 CCc1ccsc1c2cccs2 271570a_100000742291_200009875468 [1,0,0,0,1,0|1,0,0]=3 6000 B13R2.61 CCc1ccsc1c2cncs2 271570a_100010231675_200009875468 [1,0,0,0,1,0|2,0,0]=4 6001 B13R2.61 CCc1cscc1c2ccco2 271570a_100000750936_100011068457 [1,0,0,0,1,0|1,1,0]=4 6002 B13R2.61 CCc1cscc1c2cccs2 271570a_100000742291_100011068457 [1,0,0,0,1,0|1,0,0]=3 6003 B13R2.61 CCc1cscc1c2cncs2 271570a_100010231675_100011068457 [1,0,0,0,1,0|2,0,0]=4 6004 B13R2.61 CCn1ccnc1c2cccs2 271570a_100000742291_100011617267 [1,0,0,0,1,0|2,0,0]=4 6005 B13R2.61 CCn1nccc1c2cccs2 271570a_100000701364_100011215356 [1,0,0,0,1,0|2,0,0]=4 6006 B13R2.61 CCn1nccc1c2cccs2 271570a_100000742291_100000728327 [1,0,0,0,1,0|2,0,0]=4 6007 B13R2.61 COc1ccsc1c2cccs2 271570a_100000069662_100011215356 [1,0,0,0,1,0|2,0,0]=4 6008 B13R2.61 CSc1sccc1c2cccs2 271570a_100000742291_200010341309 [1,0,0,0,1,0|2,0,0]=4 6009 B13R2.61 NCc1ccsc1c2ccco2 271570a_100000750936_100000727803 [1,0,0,0,1,0|1,1,0]=4 6010 B13R2.61 NCc1ccsc1c2cccs2 271570a_100000742291_100000727803 [1,0,0,0,1,0|1,0,0]=3 6011 B13R2.61 NCc1ccsc1c2cncs2 271570a_100010231675_100000727803 [1,0,0,0,1,0|2,0,0]=4 6012 B13R2.61 OCc1ccsc1c2cccs2 271570a_100000742291_100009816922 [1,0,0,0,1,0|2,0,0]=4 6013 B13R2.61 OCc1cscc1c2cccs2 271570a_100000742291_100000724555 [1,0,0,0,1,0|2,0,0]=4 6014 B13R2.61 OCc1sccc1c2cccs2 271570a_100000742291_100000702026 [1,0,0,0,1,0|2,0,0]=4 6015 B13R2.61 OCc1sccc1c2cccs2 271570a_200009850424_100011215356 [1,0,0,0,1,0|2,0,0]=4 6016 B15R2.21 CCc1ccccc1c2ccccc2 271570a_100011216252_100000210277 [1,0,0,0,0,1|1,0,0]=3 6017 B15R2.21 CCc1ccccc1c2ccccc2 271570a_100011218836_100011215823 [1,0,0,0,0,1|1,0,0]=3 6018 B15R2.21 CCc1ccccc1c2ccccn2 271570a_100011216252_100011216584 [1,0,0,0,0,1|1,0,0]=3 6019 B15R2.21 CCc1ccccc1c2ccccn2 271570a_100011264011_100011215823 [1,0,0,0,0,1|1,0,0]=3 6020 B15R2.21 CCc1ccccc1c2cccnc2 271570a_100000757648_100011215823 [1,0,0,0,0,1|1,0,0]=3 6021 B15R2.21 CCc1ccccc1c2cccnc2 271570a_100011216252_100000752921 [1,0,0,0,0,1|1,0,0]=3 6022 B15R2.21 CCc1ccccc1c2cccnn2 271570a_100011216252_100016991348 [1,0,0,0,0,1|1,0,0]=3 6023 B15R2.21 CCc1ccccc1c2ccncc2 271570a_100000752145_100011215823 [1,0,0,0,0,1|1,0,0]=3 6024 B15R2.21 CCc1ccccc1c2ccncc2 271570a_100011216252_100000035832 [1,0,0,0,0,1|1,0,0]=3 6025 B15R2.21 CCc1ccccc1c2ccncn2 271570a_100011216252_100000703185 [1,0,0,0,0,1|1,0,0]=3 6026 B15R2.21 CCc1ccccc1c2ccnnc2 271570a_100011216252_100000732662 [1,0,0,0,0,1|2,0,0]=4 6027 B15R2.21 CCc1ccccc1c2cnccn2 271570a_100011216252_100000758340 [1,0,0,0,0,1|1,0,0]=3 6028 B15R2.21 CCc1ccccc1c2cnccn2 271570a_100011962566_100011215823 [1,0,0,0,0,1|1,0,0]=3 6029 B15R2.21 CCc1ccccc1c2cncnc2 271570a_100000707473_100011215823 [1,0,0,0,0,1|2,0,0]=4 6030 B15R2.21 CCc1ccccc1c2cncnc2 271570a_100011216252_100011206942 [1,0,0,0,0,1|2,0,0]=4 6031 B15R2.21 CCc1ccccc1c2ncccn2 271570a_100011216252_100000211032 [1,0,0,0,0,1|1,0,0]=3 6032 B15R2.21 CCc1ccncc1c2ccccc2 271570a_100011218836_100009819861 [1,0,0,0,0,1|2,0,0]=4 6033 B15R2.21 CCc1ccncc1c2ccccn2 271570a_100011264011_100009819861 [1,0,0,0,0,1|2,0,0]=4 6034 B15R2.21 CCc1ccncc1c2cccnc2 271570a_100000757648_100009819861 [1,0,0,0,0,1|2,0,0]=4 6035 B15R2.21 CCc1ccncc1c2ccncc2 271570a_100000752145_100009819861 [1,0,0,0,0,1|2,0,0]=4 6036 B15R2.21 CCc1ccncc1c2cnccn2 271570a_100011962566_100009819861 [1,0,0,0,0,1|2,0,0]=4 6037 B15R2.21 CCc1cnccc1c2ccccc2 271570a_100011218836_100025704421 [1,0,0,0,0,1|2,0,0]=4 6038 B15R2.21 CCc1cnccc1c2ccccn2 271570a_100011264011_100025704421 [1,0,0,0,0,1|2,0,0]=4 6039 B15R2.21 CCc1cnccc1c2cccnc2 271570a_100000757648_100025704421 [1,0,0,0,0,1|2,0,0]=4 6040 B15R2.21 CCc1cnccc1c2ccncc2 271570a_100000752145_100025704421 [1,0,0,0,0,1|2,0,0]=4 6041 B15R2.21 CCc1cnccc1c2cnccn2 271570a_100011962566_100025704421 [1,0,0,0,0,1|2,0,0]=4 6042 B15R2.21 CCc1ncccc1c2ccccc2 271570a_100011218836_100009877225 [1,0,0,0,0,1|2,0,0]=4 6043 B15R2.21 CCc1ncccc1c2ccccn2 271570a_100011264011_100009877225 [1,0,0,0,0,1|2,0,0]=4 6044 B15R2.21 CCc1ncccc1c2cccnc2 271570a_100000757648_100009877225 [1,0,0,0,0,1|2,0,0]=4 6045 B15R2.21 CCc1ncccc1c2ccncc2 271570a_100000752145_100009877225 [1,0,0,0,0,1|2,0,0]=4 6046 B15R2.21 CCc1ncccc1c2cnccn2 271570a_100011962566_100009877225 [1,0,0,0,0,1|2,0,0]=4 6047 B15R2.21 CNc1ccccc1c2[c-]cccc2 34a_107093835030_200000210301 [1,0,0,0,0,1|1,0,0]=3 6048 B15R2.21 CNc1ccccc1c2[c-]cccc2 7a_107093835030_200000210301 [1,0,0,0,0,1|1,0,0]=3 6049 B15R2.21 CNc1ccccc1c2ccccc2 271570a_100011218836_100020606079 [1,0,0,0,0,1|1,0,0]=3 6050 B15R2.21 CNc1ccccc1c2ccccc2 34a_100000210918_200000210301 [1,0,0,0,0,1|1,0,0]=3 6051 B15R2.21 CNc1ccccc1c2ccccn2 271570a_100011264011_100020606079 [1,0,0,0,0,1|1,0,0]=3 6052 B15R2.21 CNc1ccccc1c2cccnc2 271570a_100000757648_100020606079 [1,0,0,0,0,1|1,0,0]=3 6053 B15R2.21 CNc1ccccc1c2ccncc2 271570a_100000752145_100020606079 [1,0,0,0,0,1|1,0,0]=3 6054 B15R2.21 CNc1ccccc1c2ccncc2 27a_100102657272_100010154595 [1,0,0,0,0,1|1,0,0]=3 6055 B15R2.21 CNc1ccccc1c2cnccn2 271570a_100011962566_100020606079 [1,0,0,0,0,1|1,0,0]=3 6056 B15R2.21 CNc1ccccc1c2cncnc2 271570a_100000707473_100020606079 [1,0,0,0,0,1|2,0,0]=4 6057 B15R2.21 CNc1cccnc1c2ccccc2 271570a_100011218836_200011806188 [1,0,0,0,0,1|2,0,0]=4 6058 B15R2.21 CNc1cccnc1c2ccccc2 27a_100102657272_100010138707 [1,0,0,0,0,1|2,0,0]=4 6059 B15R2.21 CNc1cccnc1c2ccccn2 271570a_100011264011_200011806188 [1,0,0,0,0,1|2,0,0]=4 6060 B15R2.21 CNc1cccnc1c2cccnc2 271570a_100000757648_200011806188 [1,0,0,0,0,1|2,0,0]=4 6061 B15R2.21 CNc1cccnc1c2ccncc2 271570a_100000752145_200011806188 [1,0,0,0,0,1|2,0,0]=4 6062 B15R2.21 CNc1cccnc1c2cnccn2 271570a_100011962566_200011806188 [1,0,0,0,0,1|2,0,0]=4 6063 B15R2.21 CNc1ccncc1c2ccccc2 271570a_100011218836_100010069531 [1,0,0,0,0,1|2,0,0]=4 6064 B15R2.21 CNc1ccncc1c2ccccn2 271570a_100011264011_100010069531 [1,0,0,0,0,1|2,0,0]=4 6065 B15R2.21 CNc1ccncc1c2cccnc2 271570a_100000757648_100010069531 [1,0,0,0,0,1|2,0,0]=4 6066 B15R2.21 CNc1ccncc1c2ccncc2 271570a_100000752145_100010069531 [1,0,0,0,0,1|2,0,0]=4 6067 B15R2.21 CNc1ccncc1c2cnccn2 271570a_100011962566_100010069531 [1,0,0,0,0,1|2,0,0]=4 6068 B15R2.21 CNc1ncccc1c2ccccc2 271570a_100011218836_100000700899 [1,0,0,0,0,1|2,0,0]=4 6069 B15R2.21 CNc1ncccc1c2ccccn2 271570a_100011264011_100000700899 [1,0,0,0,0,1|2,0,0]=4 6070 B15R2.21 CNc1ncccc1c2cccnc2 271570a_100000757648_100000700899 [1,0,0,0,0,1|2,0,0]=4 6071 B15R2.21 CNc1ncccc1c2ccncc2 271570a_100000752145_100000700899 [1,0,0,0,0,1|2,0,0]=4 6072 B15R2.21 CNc1ncccc1c2cnccn2 271570a_100011962566_100000700899 [1,0,0,0,0,1|2,0,0]=4 6073 B15R2.21 COc1ccccc1c2ccccc2 271570a_100000756652_100000210277 [1,0,0,0,0,1|2,0,0]=4 6074 B15R2.21 COc1ccccc1c2ccccc2 271570a_100011218836_100000174000 [1,0,0,0,0,1|2,0,0]=4 6075 B15R2.21 COc1ccccc1c2ccccc2 34a_100000210297_200000210301 [1,0,0,0,0,1|2,0,0]=4 6076 B15R2.21 COc1ccccc1c2ccccc2 7a_100000210297_200000210301 [1,0,0,0,0,1|2,0,0]=4 6077 B15R2.21 COc1ccccc1c2ccccn2 271570a_100000756652_100011216584 [1,0,0,0,0,1|2,0,0]=4 6078 B15R2.21 COc1ccccc1c2ccccn2 271570a_100011264011_100000174000 [1,0,0,0,0,1|2,0,0]=4 6079 B15R2.21 COc1ccccc1c2ccccn2 34a_100012186605_200000210301 [1,0,0,0,0,1|2,0,0]=4 6080 B15R2.21 COc1ccccc1c2ccccn2 7a_100012186605_200000210301 [1,0,0,0,0,1|2,0,0]=4 6081 B15R2.21 COc1ccccc1c2cccnc2 271570a_100000756652_100000752921 [1,0,0,0,0,1|2,0,0]=4 6082 B15R2.21 COc1ccccc1c2cccnc2 271570a_100000757648_100000174000 [1,0,0,0,0,1|2,0,0]=4 6083 B15R2.21 COc1ccccc1c2cccnn2 271570a_100000756652_100016991348 [1,0,0,0,0,1|2,0,0]=4 6084 B15R2.21 COc1ccccc1c2ccncc2 271570a_100000752145_100000174000 [1,0,0,0,0,1|2,0,0]=4 6085 B15R2.21 COc1ccccc1c2ccncc2 271570a_100000756652_100000035832 [1,0,0,0,0,1|2,0,0]=4 6086 B15R2.21 COc1ccccc1c2ccncn2 271570a_100000756652_100000703185 [1,0,0,0,0,1|2,0,0]=4 6087 B15R2.21 COc1ccccc1c2cnccn2 271570a_100000756652_100000758340 [1,0,0,0,0,1|2,0,0]=4 6088 B15R2.21 COc1ccccc1c2cnccn2 271570a_100011962566_100000174000 [1,0,0,0,0,1|2,0,0]=4 6089 B15R2.21 COc1ccccc1c2ncccn2 271570a_100000756652_100000211032 [1,0,0,0,0,1|2,0,0]=4 6090 B15R2.21 CSc1ccccc1c2ccccc2 271570a_100011218165_100000210277 [1,0,0,0,0,1|2,0,0]=4 6091 B15R2.21 CSc1ccccc1c2ccccc2 271570a_100011218836_100011217816 [1,0,0,0,0,1|2,0,0]=4 6092 B15R2.21 CSc1ccccc1c2ccccc2 62a_100000033479_200000210301 [1,0,0,0,0,1|2,0,0]=4 6093 B15R2.21 CSc1ccccc1c2ccccc2 62a_200000210301_100000033479 [1,0,0,0,0,1|2,0,0]=4 6094 B15R2.21 CSc1ccccc1c2ccccn2 271570a_100011218165_100011216584 [1,0,0,0,0,1|2,0,0]=4 6095 B15R2.21 CSc1ccccc1c2ccccn2 271570a_100011264011_100011217816 [1,0,0,0,0,1|2,0,0]=4 6096 B15R2.21 CSc1ccccc1c2ccccn2 62a_100010202516_200000210301 [1,0,0,0,0,1|2,0,0]=4 6097 B15R2.21 CSc1ccccc1c2ccccn2 62a_200000210301_100010202516 [1,0,0,0,0,1|2,0,0]=4 6098 B15R2.21 CSc1ccccc1c2cccnc2 271570a_100000757648_100011217816 [1,0,0,0,0,1|2,0,0]=4 6099 B15R2.21 CSc1ccccc1c2cccnc2 271570a_100011218165_100000752921 [1,0,0,0,0,1|2,0,0]=4 6100 B15R2.21 CSc1ccccc1c2cccnn2 271570a_100011218165_100016991348 [1,0,0,0,0,1|2,0,0]=4 6101 B15R2.21 CSc1ccccc1c2ccncc2 271570a_100000752145_100011217816 [1,0,0,0,0,1|2,0,0]=4 6102 B15R2.21 CSc1ccccc1c2ccncc2 271570a_100011218165_100000035832 [1,0,0,0,0,1|2,0,0]=4 6103 B15R2.21 CSc1ccccc1c2ccncc2 62a_100010154595_200000210301 [1,0,0,0,0,1|2,0,0]=4 6104 B15R2.21 CSc1ccccc1c2ccncc2 62a_200000210301_100010154595 [1,0,0,0,0,1|2,0,0]=4 6105 B15R2.21 CSc1ccccc1c2ccncn2 271570a_100011218165_100000703185 [1,0,0,0,0,1|2,0,0]=4 6106 B15R2.21 CSc1ccccc1c2cnccn2 271570a_100011218165_100000758340 [1,0,0,0,0,1|2,0,0]=4 6107 B15R2.21 CSc1ccccc1c2cnccn2 271570a_100011962566_100011217816 [1,0,0,0,0,1|2,0,0]=4 6108 B15R2.21 CSc1ccccc1c2ncccn2 271570a_100011218165_100000211032 [1,0,0,0,0,1|2,0,0]=4 6109 B15R2.21 NCc1ccccc1c2ccccc2 271570a_100011218836_100000689332 [1,0,0,0,0,1|1,0,0]=3 6110 B15R2.21 NCc1ccccc1c2ccccc2 271570a_100020632975_100000210277 [1,0,0,0,0,1|1,0,0]=3 6111 B15R2.21 NCc1ccccc1c2ccccn2 271570a_100011264011_100000689332 [1,0,0,0,0,1|1,0,0]=3 6112 B15R2.21 NCc1ccccc1c2ccccn2 271570a_100020632975_100011216584 [1,0,0,0,0,1|1,0,0]=3 6113 B15R2.21 NCc1ccccc1c2cccnc2 271570a_100000757648_100000689332 [1,0,0,0,0,1|1,0,0]=3 6114 B15R2.21 NCc1ccccc1c2cccnc2 271570a_100020632975_100000752921 [1,0,0,0,0,1|1,0,0]=3 6115 B15R2.21 NCc1ccccc1c2cccnn2 271570a_100020632975_100016991348 [1,0,0,0,0,1|1,0,0]=3 6116 B15R2.21 NCc1ccccc1c2ccncc2 271570a_100000752145_100000689332 [1,0,0,0,0,1|1,0,0]=3 6117 B15R2.21 NCc1ccccc1c2ccncc2 271570a_100020632975_100000035832 [1,0,0,0,0,1|1,0,0]=3 6118 B15R2.21 NCc1ccccc1c2ccncn2 271570a_100020632975_100000703185 [1,0,0,0,0,1|1,0,0]=3 6119 B15R2.21 NCc1ccccc1c2ccnnc2 271570a_100020632975_100000732662 [1,0,0,0,0,1|2,0,0]=4 6120 B15R2.21 NCc1ccccc1c2cnccn2 271570a_100011962566_100000689332 [1,0,0,0,0,1|1,0,0]=3 6121 B15R2.21 NCc1ccccc1c2cnccn2 271570a_100020632975_100000758340 [1,0,0,0,0,1|1,0,0]=3 6122 B15R2.21 NCc1ccccc1c2cncnc2 271570a_100000707473_100000689332 [1,0,0,0,0,1|2,0,0]=4 6123 B15R2.21 NCc1ccccc1c2cncnc2 271570a_100020632975_100011206942 [1,0,0,0,0,1|2,0,0]=4 6124 B15R2.21 NCc1ccccc1c2ncccn2 271570a_100020632975_100000211032 [1,0,0,0,0,1|1,0,0]=3 6125 B15R2.21 NCc1cccnc1c2ccccc2 271570a_100011218836_100015189234 [1,0,0,0,0,1|2,0,0]=4 6126 B15R2.21 NCc1cccnc1c2ccccn2 271570a_100011264011_100015189234 [1,0,0,0,0,1|2,0,0]=4 6127 B15R2.21 NCc1cccnc1c2cccnc2 271570a_100000757648_100015189234 [1,0,0,0,0,1|2,0,0]=4 6128 B15R2.21 NCc1cccnc1c2ccncc2 271570a_100000752145_100015189234 [1,0,0,0,0,1|2,0,0]=4 6129 B15R2.21 NCc1cccnc1c2cnccn2 271570a_100011962566_100015189234 [1,0,0,0,0,1|2,0,0]=4 6130 B15R2.21 NCc1ccncc1c2ccccc2 271570a_100011218836_100020640021 [1,0,0,0,0,1|2,0,0]=4 6131 B15R2.21 NCc1ccncc1c2ccccn2 271570a_100011264011_100020640021 [1,0,0,0,0,1|2,0,0]=4 6132 B15R2.21 NCc1ccncc1c2cccnc2 271570a_100000757648_100020640021 [1,0,0,0,0,1|2,0,0]=4 6133 B15R2.21 NCc1ccncc1c2ccncc2 271570a_100000752145_100020640021 [1,0,0,0,0,1|2,0,0]=4 6134 B15R2.21 NCc1ccncc1c2cnccn2 271570a_100011962566_100020640021 [1,0,0,0,0,1|2,0,0]=4 6135 B15R2.21 NCc1ncccc1c2ccccc2 271570a_100011218836_100020591323 [1,0,0,0,0,1|2,0,0]=4 6136 B15R2.21 NCc1ncccc1c2ccccn2 271570a_100011264011_100020591323 [1,0,0,0,0,1|2,0,0]=4 6137 B15R2.21 NCc1ncccc1c2cccnc2 271570a_100000757648_100020591323 [1,0,0,0,0,1|2,0,0]=4 6138 B15R2.21 NCc1ncccc1c2ccncc2 271570a_100000752145_100020591323 [1,0,0,0,0,1|2,0,0]=4 6139 B15R2.21 NCc1ncccc1c2cnccn2 271570a_100011962566_100020591323 [1,0,0,0,0,1|2,0,0]=4 6140 B15R2.21 NNc1ccccc1c2ccccc2 271570a_100011218836_100000241748 [1,0,0,0,0,1|2,0,0]=4 6141 B15R2.21 NNc1ccccc1c2ccccn2 271570a_100011264011_100000241748 [1,0,0,0,0,1|2,0,0]=4 6142 B15R2.21 NNc1ccccc1c2cccnc2 271570a_100000757648_100000241748 [1,0,0,0,0,1|2,0,0]=4 6143 B15R2.21 NNc1ccccc1c2ccncc2 271570a_100000752145_100000241748 [1,0,0,0,0,1|2,0,0]=4 6144 B15R2.21 NNc1ccccc1c2cnccn2 271570a_100011962566_100000241748 [1,0,0,0,0,1|2,0,0]=4 6145 B15R2.21 OCc1ccccc1c2ccccc2 271570a_100000066922_100000210277 [1,0,0,0,0,1|2,0,0]=4 6146 B15R2.21 OCc1ccccc1c2ccccc2 271570a_100011218836_100000187465 [1,0,0,0,0,1|2,0,0]=4 6147 B15R2.21 OCc1ccccc1c2ccccn2 271570a_100000066922_100011216584 [1,0,0,0,0,1|2,0,0]=4 6148 B15R2.21 OCc1ccccc1c2ccccn2 271570a_100011264011_100000187465 [1,0,0,0,0,1|2,0,0]=4 6149 B15R2.21 OCc1ccccc1c2cccnc2 271570a_100000066922_100000752921 [1,0,0,0,0,1|2,0,0]=4 6150 B15R2.21 OCc1ccccc1c2cccnc2 271570a_100000757648_100000187465 [1,0,0,0,0,1|2,0,0]=4 6151 B15R2.21 OCc1ccccc1c2cccnn2 271570a_100000066922_100016991348 [1,0,0,0,0,1|2,0,0]=4 6152 B15R2.21 OCc1ccccc1c2ccncc2 271570a_100000066922_100000035832 [1,0,0,0,0,1|2,0,0]=4 6153 B15R2.21 OCc1ccccc1c2ccncc2 271570a_100000752145_100000187465 [1,0,0,0,0,1|2,0,0]=4 6154 B15R2.21 OCc1ccccc1c2ccncn2 271570a_100000066922_100000703185 [1,0,0,0,0,1|2,0,0]=4 6155 B15R2.21 OCc1ccccc1c2cnccn2 271570a_100000066922_100000758340 [1,0,0,0,0,1|2,0,0]=4 6156 B15R2.21 OCc1ccccc1c2cnccn2 271570a_100011962566_100000187465 [1,0,0,0,0,1|2,0,0]=4 6157 B15R2.21 OCc1ccccc1c2ncccn2 271570a_100000066922_100000211032 [1,0,0,0,0,1|2,0,0]=4 6158 B15R2.21 [13CH3]Nc1ccccc1c2[c-]cccc2 34a_107093835030_200025704644 [1,0,0,0,0,1|1,0,0]=3 6159 B15R2.21 [13CH3]Nc1ccccc1c2[c-]cccc2 7a_107093835030_200025704644 [1,0,0,0,0,1|1,0,0]=3 6160 B15R2.21 [13CH3]Nc1ccccc1c2ccccc2 34a_100000210918_200025704644 [1,0,0,0,0,1|1,0,0]=3 6161 B15R2.21 [13CH3]Oc1ccccc1c2ccccc2 34a_100000210297_200025704644 [1,0,0,0,0,1|2,0,0]=4 6162 B15R2.21 [13CH3]Oc1ccccc1c2ccccc2 7a_100000210297_200025704644 [1,0,0,0,0,1|2,0,0]=4 6163 B15R2.21 [13CH3]Oc1ccccc1c2ccccn2 34a_100012186605_200025704644 [1,0,0,0,0,1|2,0,0]=4 6164 B15R2.21 [13CH3]Oc1ccccc1c2ccccn2 7a_100012186605_200025704644 [1,0,0,0,0,1|2,0,0]=4 6165 B15R2.21 [13CH3]Sc1ccccc1c2ccccc2 62a_100000033479_200025704644 [1,0,0,0,0,1|2,0,0]=4 6166 B15R2.21 [13CH3]Sc1ccccc1c2ccccc2 62a_200025704644_100000033479 [1,0,0,0,0,1|2,0,0]=4 6167 B15R2.21 [13CH3]Sc1ccccc1c2ccccn2 62a_100010202516_200025704644 [1,0,0,0,0,1|2,0,0]=4 6168 B15R2.21 [13CH3]Sc1ccccc1c2ccccn2 62a_200025704644_100010202516 [1,0,0,0,0,1|2,0,0]=4 6169 B15R2.21 [13CH3]Sc1ccccc1c2ccncc2 62a_100010154595_200025704644 [1,0,0,0,0,1|2,0,0]=4 6170 B15R2.21 [13CH3]Sc1ccccc1c2ccncc2 62a_200025704644_100010154595 [1,0,0,0,0,1|2,0,0]=4 6171 B15R2.68 C=CCc1cccc(c1)c2cccs2 271570a_100000742291_100009816576 [0,0,0,0,1,1|1,0,1]=4 6172 B15R2.68 CC#Cc1cccc(c1)c2cccs2 271570a_100000742291_200009843338 [0,0,0,0,1,1|1,0,1]=4 6173 B15R2.68 CCCc1cccc(c1)c2ccco2 271570a_100000750936_100000694964 [0,0,0,0,1,1|1,1,0]=4 6174 B15R2.68 CCCc1cccc(c1)c2ccco2 271570a_100013575481_100009814098 [0,0,0,0,1,1|1,1,0]=4 6175 B15R2.68 CCCc1cccc(c1)c2cccs2 271570a_100000742291_100000694964 [0,0,0,0,1,1|1,0,0]=3 6176 B15R2.68 CCCc1cccc(c1)c2cccs2 271570a_100013575481_100011215356 [0,0,0,0,1,1|1,0,0]=3 6177 B15R2.68 CCCc1cccc(c1)c2cncs2 271570a_100010231675_100000694964 [0,0,0,0,1,1|2,0,0]=4 6178 B15R2.68 CCCc1cccc(c1)c2cncs2 271570a_100013575481_100011934649 [0,0,0,0,1,1|2,0,0]=4 6179 B15R2.68 CCCc1cccc(c1)c2nccs2 271570a_100013575481_100000211983 [0,0,0,0,1,1|2,0,0]=4 6180 B15R2.68 CCNc1cccc(c1)c2cccs2 271570a_100000742291_100000738899 [0,0,0,0,1,1|2,0,0]=4 6181 B15R2.68 CCNc1cccc(c1)c2cccs2 34a_100000737012_100000210202 [0,0,0,0,1,1|2,0,0]=4 6182 B15R2.68 CCNc1cccc(n1)c2cccs2 271570a_100000742291_200020678610 [0,0,0,0,1,1|2,0,0]=4 6183 B15R2.68 CCOc1cccc(c1)c2cccs2 271570a_100000718754_100011215356 [0,0,0,0,1,1|2,0,0]=4 6184 B15R2.68 CCOc1cccc(c1)c2cccs2 271570a_100000742291_100000170002 [0,0,0,0,1,1|2,0,0]=4 6185 B15R2.68 CCOc1cccc(n1)c2cccs2 271570a_100000742291_100000752924 [0,0,0,0,1,1|2,0,0]=4 6186 B15R2.68 CCSc1cccc(c1)c2cccs2 271570a_100000742291_100000703699 [0,0,0,0,1,1|2,0,0]=4 6187 B15R2.68 CCSc1cccc(c1)c2cccs2 271570a_200000049230_100011215356 [0,0,0,0,1,1|2,0,0]=4 6188 B15R2.68 CNCc1cc(ccn1)c2ccco2 271570a_100000750936_100102954512 [0,0,0,0,1,1|1,1,0]=4 6189 B15R2.68 CNCc1cc(ccn1)c2cccs2 271570a_100000742291_100102954512 [0,0,0,0,1,1|1,0,0]=3 6190 B15R2.68 CNCc1cc(ccn1)c2cncs2 271570a_100010231675_100102954512 [0,0,0,0,1,1|2,0,0]=4 6191 B15R2.68 CNCc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000187585 [0,0,0,0,1,1|2,0,0]=4 6192 B15R2.68 CNCc1cccc(c1)c2cc[nH]n2 271570a_100000062414_100000187585 [0,0,0,0,1,1|2,0,0]=4 6193 B15R2.68 CNCc1cccc(c1)c2ccco2 207a_100102657272_100011217182 [0,0,0,0,1,1|0,1,0]=3 6194 B15R2.68 CNCc1cccc(c1)c2ccco2 270004a_106832991635_100011217182 [0,0,0,0,1,1|0,1,0]=3 6195 B15R2.68 CNCc1cccc(c1)c2ccco2 271570a_100000750936_100000187585 [0,0,0,0,1,1|0,1,0]=3 6196 B15R2.68 CNCc1cccc(c1)c2cccs2 207a_100102657272_100011191919 [0,0,0,0,1,1|0,0,0]=2 6197 B15R2.68 CNCc1cccc(c1)c2cccs2 270004a_106832991635_100011191919 [0,0,0,0,1,1|0,0,0]=2 6198 B15R2.68 CNCc1cccc(c1)c2cccs2 271570a_100000742291_100000187585 [0,0,0,0,1,1|0,0,0]=2 6199 B15R2.68 CNCc1cccc(c1)c2ccoc2 271570a_100011218838_100000187585 [0,0,0,0,1,1|2,0,0]=4 6200 B15R2.68 CNCc1cccc(c1)c2ccsc2 207a_100102657272_100011217035 [0,0,0,0,1,1|2,0,0]=4 6201 B15R2.68 CNCc1cccc(c1)c2ccsc2 270004a_106832991635_100011217035 [0,0,0,0,1,1|2,0,0]=4 6202 B15R2.68 CNCc1cccc(c1)c2ccsc2 271570a_100011934443_100000187585 [0,0,0,0,1,1|2,0,0]=4 6203 B15R2.68 CNCc1cccc(c1)c2cnco2 207a_100102657272_100010631466 [0,0,0,0,1,1|1,1,0]=4 6204 B15R2.68 CNCc1cccc(c1)c2cnco2 270004a_106832991635_100010631466 [0,0,0,0,1,1|1,1,0]=4 6205 B15R2.68 CNCc1cccc(c1)c2cncs2 271570a_100010231675_100000187585 [0,0,0,0,1,1|1,0,0]=3 6206 B15R2.68 CNCc1cccc(c1)c2ncc[nH]2 271570a_100016988920_100000187585 [0,0,0,0,1,1|2,0,0]=4 6207 B15R2.68 CNCc1cccc(c1)n2cccc2 207a_100102657272_100011219404 [0,0,0,0,1,1|2,0,0]=4 6208 B15R2.68 CNCc1cccc(c1)n2cccc2 2230a_106832991635_100009813647 [0,0,0,0,1,1|2,0,0]=4 6209 B15R2.68 CNCc1cccc(c1)n2cccc2 270004a_106832991635_100011219404 [0,0,0,0,1,1|2,0,0]=4 6210 B15R2.68 CNCc1cccc(c1)n2cccc2 7a_106832991635_100009813647 [0,0,0,0,1,1|2,0,0]=4 6211 B15R2.68 CNCc1cccc(c1)n2cccn2 207a_100102657272_100000755107 [0,0,0,0,1,1|2,0,0]=4 6212 B15R2.68 CNCc1cccc(c1)n2cccn2 2230a_100025742778_200000210301 [0,0,0,0,1,1|2,0,0]=4 6213 B15R2.68 CNCc1cccc(c1)n2cccn2 2230a_106832991635_100011935225 [0,0,0,0,1,1|2,0,0]=4 6214 B15R2.68 CNCc1cccc(c1)n2cccn2 26a_100102657272_100000755108 [0,0,0,0,1,1|2,0,0]=4 6215 B15R2.68 CNCc1cccc(c1)n2cccn2 270004a_106832991635_100000755107 [0,0,0,0,1,1|2,0,0]=4 6216 B15R2.68 CNCc1cccc(c1)n2cccn2 34a_100025742778_200000210301 [0,0,0,0,1,1|2,0,0]=4 6217 B15R2.68 CNCc1cccc(c1)n2cccn2 34a_100102657272_100011935225 [0,0,0,0,1,1|2,0,0]=4 6218 B15R2.68 CNCc1cccc(c1)n2cccn2 7a_106832991635_100011935225 [0,0,0,0,1,1|2,0,0]=4 6219 B15R2.68 CNCc1cccc(n1)c2cc[nH]c2 271570a_100000102155_106354212997 [0,0,0,0,1,1|2,0,0]=4 6220 B15R2.68 CNCc1cccc(n1)c2cc[nH]n2 271570a_100000062414_106354212997 [0,0,0,0,1,1|2,0,0]=4 6221 B15R2.68 CNCc1cccc(n1)c2ccco2 207a_100102657272_100000083706 [0,0,0,0,1,1|0,1,0]=3 6222 B15R2.68 CNCc1cccc(n1)c2ccco2 270004a_106832991635_100000083706 [0,0,0,0,1,1|0,1,0]=3 6223 B15R2.68 CNCc1cccc(n1)c2ccco2 271570a_100000750936_106354212997 [0,0,0,0,1,1|0,1,0]=3 6224 B15R2.68 CNCc1cccc(n1)c2cccs2 207a_100102657272_100000050349 [0,0,0,0,1,1|0,0,0]=2 6225 B15R2.68 CNCc1cccc(n1)c2cccs2 270004a_106832991635_100000050349 [0,0,0,0,1,1|0,0,0]=2 6226 B15R2.68 CNCc1cccc(n1)c2cccs2 271570a_100000742291_106354212997 [0,0,0,0,1,1|0,0,0]=2 6227 B15R2.68 CNCc1cccc(n1)c2ccoc2 271570a_100011218838_106354212997 [0,0,0,0,1,1|2,0,0]=4 6228 B15R2.68 CNCc1cccc(n1)c2ccsc2 271570a_100011934443_106354212997 [0,0,0,0,1,1|2,0,0]=4 6229 B15R2.68 CNCc1cccc(n1)c2cncs2 271570a_100010231675_106354212997 [0,0,0,0,1,1|1,0,0]=3 6230 B15R2.68 CNCc1cccc(n1)c2ncc[nH]2 271570a_100016988920_106354212997 [0,0,0,0,1,1|2,0,0]=4 6231 B15R2.68 CNCc1cncc(c1)c2ccco2 271570a_100000750936_103549770560 [0,0,0,0,1,1|1,1,0]=4 6232 B15R2.68 CNCc1cncc(c1)c2cccs2 271570a_100000742291_103549770560 [0,0,0,0,1,1|1,0,0]=3 6233 B15R2.68 CNCc1cncc(c1)c2cncs2 271570a_100010231675_103549770560 [0,0,0,0,1,1|2,0,0]=4 6234 B15R2.68 COCc1cccc(c1)c2ccco2 271570a_100000750936_100011493687 [0,0,0,0,1,1|1,1,0]=4 6235 B15R2.68 COCc1cccc(c1)c2ccco2 271570a_100012352018_100009814098 [0,0,0,0,1,1|1,1,0]=4 6236 B15R2.68 COCc1cccc(c1)c2cccs2 271570a_100000742291_100011493687 [0,0,0,0,1,1|1,0,0]=3 6237 B15R2.68 COCc1cccc(c1)c2cccs2 271570a_100012352018_100011215356 [0,0,0,0,1,1|1,0,0]=3 6238 B15R2.68 COCc1cccc(c1)c2cncs2 271570a_100010231675_100011493687 [0,0,0,0,1,1|2,0,0]=4 6239 B15R2.68 COCc1cccc(c1)c2cncs2 271570a_100012352018_100011934649 [0,0,0,0,1,1|2,0,0]=4 6240 B15R2.68 COCc1cccc(c1)c2nccs2 271570a_100012352018_100000211983 [0,0,0,0,1,1|2,0,0]=4 6241 B15R2.68 COCc1cncc(c1)c2cccs2 271570a_100000097204_100011215356 [0,0,0,0,1,1|2,0,0]=4 6242 B15R2.68 N#CCc1cccc(c1)c2cccs2 271570a_100000042927_100011215356 [0,0,0,0,1,1|2,0,0]=4 6243 B15R2.68 N#CCc1cccc(c1)c2cccs2 271570a_100000742291_100000034040 [0,0,0,0,1,1|2,0,0]=4 6244 B15R2.68 N#CCc1cccc(n1)c2cccs2 271570a_100000742291_100000727631 [0,0,0,0,1,1|2,0,0]=4 6245 B15R2.68 NCCc1cccc(c1)c2cccs2 271570a_100000742291_100011207229 [0,0,0,0,1,1|2,0,0]=4 6246 B15R2.68 NNCc1cccc(c1)c2ccco2 271570a_100000750936_100000686200 [0,0,0,0,1,1|1,1,0]=4 6247 B15R2.68 NNCc1cccc(c1)c2cccs2 271570a_100000742291_100000686200 [0,0,0,0,1,1|1,0,0]=3 6248 B15R2.68 NNCc1cccc(c1)c2cncs2 271570a_100010231675_100000686200 [0,0,0,0,1,1|2,0,0]=4 6249 B15R2.68 O=CCc1cccc(c1)c2cccs2 271570a_100000742291_200000698211 [0,0,0,0,1,1|2,0,0]=4 6250 B15R2.68 OCCc1cccc(c1)c2cccs2 271570a_100000742291_100011217444 [0,0,0,0,1,1|2,0,0]=4 6251 B15R2.68 OCCc1cccc(c1)c2cccs2 271570a_100010046509_100011215356 [0,0,0,0,1,1|2,0,0]=4 6252 B15R2.68 OCCc1cccc(n1)c2cccs2 271570a_100000742291_100010221043 [0,0,0,0,1,1|2,0,0]=4 6253 B15R2.68 [13CH3]NCc1cccc(c1)n2cccn2 2230a_100025742778_200025704644 [0,0,0,0,1,1|2,0,0]=4 6254 B15R2.68 [13CH3]NCc1cccc(c1)n2cccn2 34a_100025742778_200025704644 [0,0,0,0,1,1|2,0,0]=4 6255 B15R2.72 CNCc1cccn1c2ccccc2 270004a_106832991635_100011302056 [0,0,0,0,1,1|2,0,0]=4 6256 B15R2.72 CNCc1cccn1c2ccccn2 270004a_106832991635_100000027397 [0,0,0,0,1,1|2,0,0]=4 6257 B15R2.72 CNCc1cccn1c2ccncc2 270004a_106832991635_100000027398 [0,0,0,0,1,1|2,0,0]=4 6258 B15R2.72 CNCc1cccn1c2ncccn2 270004a_106832991635_200000066920 [0,0,0,0,1,1|2,0,0]=4 6259 B15R2.72 CNCc1ccsc1c2ccccc2 271570a_100011218836_100009817074 [0,0,0,0,1,1|2,0,0]=4 6260 B15R2.72 CNCc1ccsc1c2ccccn2 271570a_100011264011_100009817074 [0,0,0,0,1,1|2,0,0]=4 6261 B15R2.72 CNCc1ccsc1c2cccnc2 271570a_100000757648_100009817074 [0,0,0,0,1,1|2,0,0]=4 6262 B15R2.72 CNCc1ccsc1c2ccncc2 271570a_100000752145_100009817074 [0,0,0,0,1,1|2,0,0]=4 6263 B15R2.72 CNCc1ccsc1c2cnccn2 271570a_100011962566_100009817074 [0,0,0,0,1,1|2,0,0]=4 6264 B15R2.72 CNCc1cscc1c2ccccc2 271570a_100011218836_100011935083 [0,0,0,0,1,1|2,0,0]=4 6265 B15R2.72 CNCc1cscc1c2ccccn2 271570a_100011264011_100011935083 [0,0,0,0,1,1|2,0,0]=4 6266 B15R2.72 CNCc1cscc1c2cccnc2 271570a_100000757648_100011935083 [0,0,0,0,1,1|2,0,0]=4 6267 B15R2.72 CNCc1cscc1c2ccncc2 271570a_100000752145_100011935083 [0,0,0,0,1,1|2,0,0]=4 6268 B15R2.72 CNCc1cscc1c2cnccn2 271570a_100011962566_100011935083 [0,0,0,0,1,1|2,0,0]=4 6269 B15R2.72 CNCc1sccc1c2ccccc2 271570a_100011218836_100000767120 [0,0,0,0,1,1|2,0,0]=4 6270 B15R2.72 CNCc1sccc1c2ccccn2 271570a_100011264011_100000767120 [0,0,0,0,1,1|2,0,0]=4 6271 B15R2.72 CNCc1sccc1c2cccnc2 271570a_100000757648_100000767120 [0,0,0,0,1,1|2,0,0]=4 6272 B15R2.72 CNCc1sccc1c2ccncc2 271570a_100000752145_100000767120 [0,0,0,0,1,1|2,0,0]=4 6273 B15R2.72 CNCc1sccc1c2cnccn2 271570a_100011962566_100000767120 [0,0,0,0,1,1|2,0,0]=4 6274 B17R2.87 CCCc1ccccc1Nc2cccnn2 27a_100000737634_100016991348 [0,0,0,0,0,2|2,0,0]=4 6275 B17R2.87 CCCc1ccccc1Nc2ccncn2 27a_100000737634_100000703185 [0,0,0,0,0,2|2,0,0]=4 6276 B17R2.87 CCCc1ccccc1Nc2cnccn2 27a_100000737634_100000211759 [0,0,0,0,0,2|2,0,0]=4 6277 B17R2.87 CCCc1ccccc1Nc2ncccn2 27a_100000737634_100000211032 [0,0,0,0,0,2|2,0,0]=4 6278 B17R2.87 CNCc1ccccc1Cc2ccccc2 207a_100102657272_100009842342 [0,0,0,0,0,2|1,0,0]=3 6279 B17R2.87 CNCc1ccccc1Cc2ccccc2 2230a_106832991635_100010254464 [0,0,0,0,0,2|1,0,0]=3 6280 B17R2.87 CNCc1ccccc1Cc2ccccc2 26a_100102657272_100000211249 [0,0,0,0,0,2|1,0,0]=3 6281 B17R2.87 CNCc1ccccc1Cc2ccccc2 270004a_106832991635_100009842342 [0,0,0,0,0,2|1,0,0]=3 6282 B17R2.87 CNCc1ccccc1Cc2ccccc2 34a_100102657272_100010254464 [0,0,0,0,0,2|1,0,0]=3 6283 B17R2.87 CNCc1ccccc1Cc2ccccc2 7a_106832991635_100010254464 [0,0,0,0,0,2|1,0,0]=3 6284 B17R2.87 CNCc1ccccc1Oc2ccccc2 207a_100102657272_100011234122 [0,0,0,0,0,2|1,0,0]=3 6285 B17R2.87 CNCc1ccccc1Oc2ccccc2 2230a_100016987831_200000210301 [0,0,0,0,0,2|1,0,0]=3 6286 B17R2.87 CNCc1ccccc1Oc2ccccc2 2230a_106832991635_100000199117 [0,0,0,0,0,2|1,0,0]=3 6287 B17R2.87 CNCc1ccccc1Oc2ccccc2 270004a_106832991635_100011234122 [0,0,0,0,0,2|1,0,0]=3 6288 B17R2.87 CNCc1ccccc1Oc2ccccc2 34a_100016987831_200000210301 [0,0,0,0,0,2|1,0,0]=3 6289 B17R2.87 CNCc1ccccc1Oc2ccccc2 7a_106832991635_100000199117 [0,0,0,0,0,2|1,0,0]=3 6290 B17R2.87 CNCc1ccccc1Oc2ccccn2 207a_100102657272_100000069094 [0,0,0,0,0,2|1,0,0]=3 6291 B17R2.87 CNCc1ccccc1Oc2ccccn2 270004a_106832991635_100000069094 [0,0,0,0,0,2|1,0,0]=3 6292 B17R2.87 CNCc1ccccc1Oc2cccnc2 207a_100102657272_100011220074 [0,0,0,0,0,2|1,0,0]=3 6293 B17R2.87 CNCc1ccccc1Oc2cccnc2 270004a_106832991635_100011220074 [0,0,0,0,0,2|1,0,0]=3 6294 B17R2.87 CNCc1ccccc1Oc2cnccn2 207a_100102657272_200000041964 [0,0,0,0,0,2|1,0,0]=3 6295 B17R2.87 CNCc1ccccc1Oc2cnccn2 270004a_106832991635_200000041964 [0,0,0,0,0,2|1,0,0]=3 6296 B17R2.87 CNCc1ccccc1Sc2ccccc2 62a_100000184654_100000041952 [0,0,0,0,0,2|1,0,0]=3 6297 B17R2.87 CNCc1ccccc1Sc2ccccc2 62a_100000719477_100000184654 [0,0,0,0,0,2|1,0,0]=3 6298 B17R2.87 CNCc1ccccc1Sc2ccccn2 62a_100000184654_100011216584 [0,0,0,0,0,2|1,0,0]=3 6299 B17R2.87 CNCc1ccccc1Sc2ccccn2 62a_100011216584_100000184654 [0,0,0,0,0,2|1,0,0]=3 6300 B17R2.87 CNCc1ccccc1Sc2cccnc2 62a_100000184654_100000210063 [0,0,0,0,0,2|1,0,0]=3 6301 B17R2.87 CNCc1ccccc1Sc2cccnc2 62a_100000210063_100000184654 [0,0,0,0,0,2|1,0,0]=3 6302 B17R2.87 CNCc1ccccc1Sc2cccnn2 62a_100000184654_100016991348 [0,0,0,0,0,2|1,0,0]=3 6303 B17R2.87 CNCc1ccccc1Sc2cccnn2 62a_100016991348_100000184654 [0,0,0,0,0,2|1,0,0]=3 6304 B17R2.87 CNCc1ccccc1Sc2ccncc2 62a_100000184654_100000728582 [0,0,0,0,0,2|1,0,0]=3 6305 B17R2.87 CNCc1ccccc1Sc2ccncc2 62a_100000728582_100000184654 [0,0,0,0,0,2|1,0,0]=3 6306 B17R2.87 CNCc1ccccc1Sc2ccncn2 62a_100000184654_100000703185 [0,0,0,0,0,2|1,0,0]=3 6307 B17R2.87 CNCc1ccccc1Sc2ccncn2 62a_100000703185_100000184654 [0,0,0,0,0,2|1,0,0]=3 6308 B17R2.87 CNCc1ccccc1Sc2ccnnc2 62a_100000184654_100000732662 [0,0,0,0,0,2|2,0,0]=4 6309 B17R2.87 CNCc1ccccc1Sc2ccnnc2 62a_100000732662_100000184654 [0,0,0,0,0,2|2,0,0]=4 6310 B17R2.87 CNCc1ccccc1Sc2cnccn2 62a_100000184654_100000211759 [0,0,0,0,0,2|1,0,0]=3 6311 B17R2.87 CNCc1ccccc1Sc2cnccn2 62a_100000211759_100000184654 [0,0,0,0,0,2|1,0,0]=3 6312 B17R2.87 CNCc1ccccc1Sc2cncnc2 62a_100000184654_100011206942 [0,0,0,0,0,2|2,0,0]=4 6313 B17R2.87 CNCc1ccccc1Sc2cncnc2 62a_100011206942_100000184654 [0,0,0,0,0,2|2,0,0]=4 6314 B17R2.87 CNCc1ccccc1Sc2ncccn2 62a_100000184654_100000211032 [0,0,0,0,0,2|1,0,0]=3 6315 B17R2.87 CNCc1ccccc1Sc2ncccn2 62a_100000211032_100000184654 [0,0,0,0,0,2|1,0,0]=3 6316 B17R2.87 CNCc1cccnc1Oc2ccccc2 207a_100102657272_200013041831 [0,0,0,0,0,2|2,0,0]=4 6317 B17R2.87 CNCc1cccnc1Oc2ccccc2 270004a_106832991635_200013041831 [0,0,0,0,0,2|2,0,0]=4 6318 B17R2.87 CNCc1cccnc1Sc2ccccc2 62a_100000719477_103496529121 [0,0,0,0,0,2|2,0,0]=4 6319 B17R2.87 CNCc1cccnc1Sc2ccccc2 62a_103496529121_100000041952 [0,0,0,0,0,2|2,0,0]=4 6320 B17R2.87 CNCc1cccnc1Sc2ccccn2 62a_100011216584_103496529121 [0,0,0,0,0,2|2,0,0]=4 6321 B17R2.87 CNCc1cccnc1Sc2ccccn2 62a_103496529121_100011216584 [0,0,0,0,0,2|2,0,0]=4 6322 B17R2.87 CNCc1cccnc1Sc2cccnc2 62a_100000210063_103496529121 [0,0,0,0,0,2|2,0,0]=4 6323 B17R2.87 CNCc1cccnc1Sc2cccnc2 62a_103496529121_100000210063 [0,0,0,0,0,2|2,0,0]=4 6324 B17R2.87 CNCc1cccnc1Sc2cccnn2 62a_100016991348_103496529121 [0,0,0,0,0,2|2,0,0]=4 6325 B17R2.87 CNCc1cccnc1Sc2cccnn2 62a_103496529121_100016991348 [0,0,0,0,0,2|2,0,0]=4 6326 B17R2.87 CNCc1cccnc1Sc2ccncc2 62a_100000728582_103496529121 [0,0,0,0,0,2|2,0,0]=4 6327 B17R2.87 CNCc1cccnc1Sc2ccncc2 62a_103496529121_100000728582 [0,0,0,0,0,2|2,0,0]=4 6328 B17R2.87 CNCc1cccnc1Sc2ccncn2 62a_100000703185_103496529121 [0,0,0,0,0,2|2,0,0]=4 6329 B17R2.87 CNCc1cccnc1Sc2ccncn2 62a_103496529121_100000703185 [0,0,0,0,0,2|2,0,0]=4 6330 B17R2.87 CNCc1cccnc1Sc2cnccn2 62a_100000211759_103496529121 [0,0,0,0,0,2|2,0,0]=4 6331 B17R2.87 CNCc1cccnc1Sc2cnccn2 62a_103496529121_100000211759 [0,0,0,0,0,2|2,0,0]=4 6332 B17R2.87 CNCc1cccnc1Sc2ncccn2 62a_100000211032_103496529121 [0,0,0,0,0,2|2,0,0]=4 6333 B17R2.87 CNCc1cccnc1Sc2ncccn2 62a_103496529121_100000211032 [0,0,0,0,0,2|2,0,0]=4 6334 B17R2.87 COCc1ccccc1Cc2ccccc2 34a_100138415774_100010254464 [0,0,0,0,0,2|2,0,0]=4 6335 B17R2.87 COCc1ccccc1Oc2ccccc2 34a_100000246416_200000210301 [0,0,0,0,0,2|2,0,0]=4 6336 B17R2.87 COCc1ccccc1Oc2ccccc2 7a_100000246416_200000210301 [0,0,0,0,0,2|2,0,0]=4 6337 B17R2.87 COCc1ccccc1Sc2ccccc2 62a_100000719477_100011493684 [0,0,0,0,0,2|2,0,0]=4 6338 B17R2.87 COCc1ccccc1Sc2ccccc2 62a_100011493684_100000041952 [0,0,0,0,0,2|2,0,0]=4 6339 B17R2.87 COCc1ccccc1Sc2ccccn2 62a_100011216584_100011493684 [0,0,0,0,0,2|2,0,0]=4 6340 B17R2.87 COCc1ccccc1Sc2ccccn2 62a_100011493684_100011216584 [0,0,0,0,0,2|2,0,0]=4 6341 B17R2.87 COCc1ccccc1Sc2cccnc2 62a_100000210063_100011493684 [0,0,0,0,0,2|2,0,0]=4 6342 B17R2.87 COCc1ccccc1Sc2cccnc2 62a_100011493684_100000210063 [0,0,0,0,0,2|2,0,0]=4 6343 B17R2.87 COCc1ccccc1Sc2cccnn2 62a_100011493684_100016991348 [0,0,0,0,0,2|2,0,0]=4 6344 B17R2.87 COCc1ccccc1Sc2cccnn2 62a_100016991348_100011493684 [0,0,0,0,0,2|2,0,0]=4 6345 B17R2.87 COCc1ccccc1Sc2ccncc2 62a_100000728582_100011493684 [0,0,0,0,0,2|2,0,0]=4 6346 B17R2.87 COCc1ccccc1Sc2ccncc2 62a_100011493684_100000728582 [0,0,0,0,0,2|2,0,0]=4 6347 B17R2.87 COCc1ccccc1Sc2ccncn2 62a_100000703185_100011493684 [0,0,0,0,0,2|2,0,0]=4 6348 B17R2.87 COCc1ccccc1Sc2ccncn2 62a_100011493684_100000703185 [0,0,0,0,0,2|2,0,0]=4 6349 B17R2.87 COCc1ccccc1Sc2cnccn2 62a_100000211759_100011493684 [0,0,0,0,0,2|2,0,0]=4 6350 B17R2.87 COCc1ccccc1Sc2cnccn2 62a_100011493684_100000211759 [0,0,0,0,0,2|2,0,0]=4 6351 B17R2.87 COCc1ccccc1Sc2ncccn2 62a_100000211032_100011493684 [0,0,0,0,0,2|2,0,0]=4 6352 B17R2.87 COCc1ccccc1Sc2ncccn2 62a_100011493684_100000211032 [0,0,0,0,0,2|2,0,0]=4 6353 B17R2.87 CSCc1ccccc1Cc2ccccc2 62a_100010254464_200000210301 [0,0,0,0,0,2|2,0,0]=4 6354 B17R2.87 CSCc1ccccc1Cc2ccccc2 62a_200000210301_100010254464 [0,0,0,0,0,2|2,0,0]=4 6355 B17R2.87 CSCc1ccccc1Oc2ccccc2 62a_100000199117_200000210301 [0,0,0,0,0,2|2,0,0]=4 6356 B17R2.87 CSCc1ccccc1Oc2ccccc2 62a_200000210301_100000199117 [0,0,0,0,0,2|2,0,0]=4 6357 B17R2.87 CSCc1ccccc1Sc2ccccc2 62a_100000148299_100000041952 [0,0,0,0,0,2|2,0,0]=4 6358 B17R2.87 CSCc1ccccc1Sc2ccccc2 62a_100000719477_100000148299 [0,0,0,0,0,2|2,0,0]=4 6359 B17R2.87 CSCc1ccccc1Sc2ccccn2 62a_100000148299_100011216584 [0,0,0,0,0,2|2,0,0]=4 6360 B17R2.87 CSCc1ccccc1Sc2ccccn2 62a_100011216584_100000148299 [0,0,0,0,0,2|2,0,0]=4 6361 B17R2.87 CSCc1ccccc1Sc2cccnc2 62a_100000148299_100000210063 [0,0,0,0,0,2|2,0,0]=4 6362 B17R2.87 CSCc1ccccc1Sc2cccnc2 62a_100000210063_100000148299 [0,0,0,0,0,2|2,0,0]=4 6363 B17R2.87 CSCc1ccccc1Sc2cccnn2 62a_100000148299_100016991348 [0,0,0,0,0,2|2,0,0]=4 6364 B17R2.87 CSCc1ccccc1Sc2cccnn2 62a_100016991348_100000148299 [0,0,0,0,0,2|2,0,0]=4 6365 B17R2.87 CSCc1ccccc1Sc2ccncc2 62a_100000148299_100000728582 [0,0,0,0,0,2|2,0,0]=4 6366 B17R2.87 CSCc1ccccc1Sc2ccncc2 62a_100000728582_100000148299 [0,0,0,0,0,2|2,0,0]=4 6367 B17R2.87 CSCc1ccccc1Sc2ccncn2 62a_100000148299_100000703185 [0,0,0,0,0,2|2,0,0]=4 6368 B17R2.87 CSCc1ccccc1Sc2ccncn2 62a_100000703185_100000148299 [0,0,0,0,0,2|2,0,0]=4 6369 B17R2.87 CSCc1ccccc1Sc2cnccn2 62a_100000148299_100000211759 [0,0,0,0,0,2|2,0,0]=4 6370 B17R2.87 CSCc1ccccc1Sc2cnccn2 62a_100000211759_100000148299 [0,0,0,0,0,2|2,0,0]=4 6371 B17R2.87 CSCc1ccccc1Sc2ncccn2 62a_100000148299_100000211032 [0,0,0,0,0,2|2,0,0]=4 6372 B17R2.87 CSCc1ccccc1Sc2ncccn2 62a_100000211032_100000148299 [0,0,0,0,0,2|2,0,0]=4 6373 B17R2.87 NNCc1ccccc1Sc2ccccc2 62a_100000719477_200016993956 [0,0,0,0,0,2|2,0,0]=4 6374 B17R2.87 NNCc1ccccc1Sc2ccccc2 62a_200016993956_100000041952 [0,0,0,0,0,2|2,0,0]=4 6375 B17R2.87 NNCc1ccccc1Sc2ccccn2 62a_100011216584_200016993956 [0,0,0,0,0,2|2,0,0]=4 6376 B17R2.87 NNCc1ccccc1Sc2ccccn2 62a_200016993956_100011216584 [0,0,0,0,0,2|2,0,0]=4 6377 B17R2.87 NNCc1ccccc1Sc2cccnc2 62a_100000210063_200016993956 [0,0,0,0,0,2|2,0,0]=4 6378 B17R2.87 NNCc1ccccc1Sc2cccnc2 62a_200016993956_100000210063 [0,0,0,0,0,2|2,0,0]=4 6379 B17R2.87 NNCc1ccccc1Sc2cccnn2 62a_100016991348_200016993956 [0,0,0,0,0,2|2,0,0]=4 6380 B17R2.87 NNCc1ccccc1Sc2cccnn2 62a_200016993956_100016991348 [0,0,0,0,0,2|2,0,0]=4 6381 B17R2.87 NNCc1ccccc1Sc2ccncc2 62a_100000728582_200016993956 [0,0,0,0,0,2|2,0,0]=4 6382 B17R2.87 NNCc1ccccc1Sc2ccncc2 62a_200016993956_100000728582 [0,0,0,0,0,2|2,0,0]=4 6383 B17R2.87 NNCc1ccccc1Sc2ccncn2 62a_100000703185_200016993956 [0,0,0,0,0,2|2,0,0]=4 6384 B17R2.87 NNCc1ccccc1Sc2ccncn2 62a_200016993956_100000703185 [0,0,0,0,0,2|2,0,0]=4 6385 B17R2.87 NNCc1ccccc1Sc2cnccn2 62a_100000211759_200016993956 [0,0,0,0,0,2|2,0,0]=4 6386 B17R2.87 NNCc1ccccc1Sc2cnccn2 62a_200016993956_100000211759 [0,0,0,0,0,2|2,0,0]=4 6387 B17R2.87 NNCc1ccccc1Sc2ncccn2 62a_100000211032_200016993956 [0,0,0,0,0,2|2,0,0]=4 6388 B17R2.87 NNCc1ccccc1Sc2ncccn2 62a_200016993956_100000211032 [0,0,0,0,0,2|2,0,0]=4 6389 B17R2.87 [13CH3]NCc1ccccc1Oc2ccccc2 2230a_100016987831_200025704644 [0,0,0,0,0,2|1,0,0]=3 6390 B17R2.87 [13CH3]NCc1ccccc1Oc2ccccc2 34a_100016987831_200025704644 [0,0,0,0,0,2|1,0,0]=3 6391 B17R2.87 [13CH3]OCc1ccccc1Oc2ccccc2 34a_100000246416_200025704644 [0,0,0,0,0,2|2,0,0]=4 6392 B17R2.87 [13CH3]OCc1ccccc1Oc2ccccc2 7a_100000246416_200025704644 [0,0,0,0,0,2|2,0,0]=4 6393 B17R2.87 [13CH3]SCc1ccccc1Cc2ccccc2 62a_100010254464_200025704644 [0,0,0,0,0,2|2,0,0]=4 6394 B17R2.87 [13CH3]SCc1ccccc1Cc2ccccc2 62a_200025704644_100010254464 [0,0,0,0,0,2|2,0,0]=4 6395 B17R2.87 [13CH3]SCc1ccccc1Oc2ccccc2 62a_100000199117_200025704644 [0,0,0,0,0,2|2,0,0]=4 6396 B17R2.87 [13CH3]SCc1ccccc1Oc2ccccc2 62a_200025704644_100000199117 [0,0,0,0,0,2|2,0,0]=4 6397 B17R2.4343 C=CCc1ccccc1NCc2cccs2 207a_200138433279_100000209959 [0,0,0,0,0,2|1,0,1]=4 6398 B17R2.4343 C=CCc1ccccc1NCc2cccs2 270302a_200138433279_100000209959 [0,0,0,0,0,2|1,0,1]=4 6399 B17R2.4343 CCCc1ccccc1NCc2ccco2 207a_100000737634_100000186105 [0,0,0,0,0,2|1,1,0]=4 6400 B17R2.4343 CCCc1ccccc1NCc2ccco2 270302a_100000737634_100000186105 [0,0,0,0,0,2|1,1,0]=4 6401 B17R2.4343 CCCc1ccccc1NCc2cccs2 207a_100000737634_100000209959 [0,0,0,0,0,2|1,0,0]=3 6402 B17R2.4343 CCCc1ccccc1NCc2cccs2 270302a_100000737634_100000209959 [0,0,0,0,0,2|1,0,0]=3 6403 B17R2.4343 CCCc1ccccc1NCc2cncs2 207a_100000737634_100000749870 [0,0,0,0,0,2|2,0,0]=4 6404 B17R2.4343 CCCc1ccccc1NCc2cncs2 2230a_100000737634_100015185245 [0,0,0,0,0,2|2,0,0]=4 6405 B17R2.4343 CCCc1ccccc1NCc2cncs2 270302a_100000737634_100000749870 [0,0,0,0,0,2|2,0,0]=4 6406 B17R2.4343 CCCc1ccccc1NCc2cncs2 34a_100000737634_100015185245 [0,0,0,0,0,2|2,0,0]=4 6407 B17R2.4343 CCCc1ccccc1NCc2cncs2 7a_100000737634_100015185245 [0,0,0,0,0,2|2,0,0]=4 6408 B17R2.4343 CCCc1ccccc1NCc2nccs2 207a_100000737634_100000750902 [0,0,0,0,0,2|2,0,0]=4 6409 B17R2.4343 CCCc1ccccc1NCc2nccs2 2230a_100000737634_100015184050 [0,0,0,0,0,2|2,0,0]=4 6410 B17R2.4343 CCCc1ccccc1NCc2nccs2 270302a_100000737634_100000750902 [0,0,0,0,0,2|2,0,0]=4 6411 B17R2.4343 CCCc1ccccc1NCc2nccs2 34a_100000737634_100015184050 [0,0,0,0,0,2|2,0,0]=4 6412 B17R2.4343 CCCc1ccccc1NCc2nccs2 7a_100000737634_100015184050 [0,0,0,0,0,2|2,0,0]=4 6413 B17R2.4343 CCCc1ccccc1OCc2cncs2 34a_100011217252_100015185245 [0,0,0,0,0,2|2,0,0]=4 6414 B17R2.4343 CCCc1ccccc1OCc2cncs2 7a_100011217252_100015185245 [0,0,0,0,0,2|2,0,0]=4 6415 B17R2.4343 CCCc1ccccc1OCc2nccs2 34a_100011217252_100015184050 [0,0,0,0,0,2|2,0,0]=4 6416 B17R2.4343 CCCc1ccccc1OCc2nccs2 7a_100011217252_100015184050 [0,0,0,0,0,2|2,0,0]=4 6417 B17R2.4343 CCOc1ccccc1NCc2cccs2 207a_100000211218_100000209959 [0,0,0,0,0,2|2,0,0]=4 6418 B17R2.4343 CCOc1ccccc1NCc2cccs2 270302a_100000211218_100000209959 [0,0,0,0,0,2|2,0,0]=4 6419 B17R2.4343 CCSc1ccccc1NCc2cccs2 207a_100011223125_100000209959 [0,0,0,0,0,2|2,0,0]=4 6420 B17R2.4343 CCSc1ccccc1NCc2cccs2 270302a_100011223125_100000209959 [0,0,0,0,0,2|2,0,0]=4 6421 B17R2.4343 CNCc1ccccc1OCc2c[nH]cn2 34a_100015189988_100000707719 [0,0,0,0,0,2|2,0,0]=4 6422 B17R2.4343 CNCc1ccccc1OCc2ccn[nH]2 34a_100015189988_100000728653 [0,0,0,0,0,2|2,0,0]=4 6423 B17R2.4343 CNCc1ccccc1OCc2ccon2 34a_100015189988_100000234950 [0,0,0,0,0,2|2,0,0]=4 6424 B17R2.4343 CNCc1ccccc1OCc2ccsc2 34a_100015189988_100011261437 [0,0,0,0,0,2|2,0,0]=4 6425 B17R2.4343 CNCc1ccccc1OCc2cncs2 34a_100015189988_100015185245 [0,0,0,0,0,2|1,0,0]=3 6426 B17R2.4343 CNCc1ccccc1OCc2cscn2 34a_100015189988_100000205941 [0,0,0,0,0,2|2,0,0]=4 6427 B17R2.4343 CNCc1ccccc1OCc2ncc[nH]2 34a_100015189988_100016991755 [0,0,0,0,0,2|2,0,0]=4 6428 B17R2.4343 CNCc1ccccc1OCc2ncco2 34a_100015189988_103436540062 [0,0,0,0,0,2|1,1,0]=4 6429 B17R2.4343 CNCc1ccccc1OCc2nccs2 34a_100015189988_100015184050 [0,0,0,0,0,2|1,0,0]=3 6430 B17R2.4343 CNCc1ccccc1SCc2c[nH]cn2 62a_100000184654_100000707719 [0,0,0,0,0,2|2,0,0]=4 6431 B17R2.4343 CNCc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000184654 [0,0,0,0,0,2|2,0,0]=4 6432 B17R2.4343 CNCc1ccccc1SCc2ccn[nH]2 62a_100000184654_100000728653 [0,0,0,0,0,2|2,0,0]=4 6433 B17R2.4343 CNCc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000184654 [0,0,0,0,0,2|2,0,0]=4 6434 B17R2.4343 CNCc1ccccc1SCc2ccon2 62a_100000184654_100000234950 [0,0,0,0,0,2|2,0,0]=4 6435 B17R2.4343 CNCc1ccccc1SCc2ccon2 62a_100000234950_100000184654 [0,0,0,0,0,2|2,0,0]=4 6436 B17R2.4343 CNCc1ccccc1SCc2ccsc2 62a_100000184654_100011233845 [0,0,0,0,0,2|2,0,0]=4 6437 B17R2.4343 CNCc1ccccc1SCc2ccsc2 62a_100011261437_100000184654 [0,0,0,0,0,2|2,0,0]=4 6438 B17R2.4343 CNCc1ccccc1SCc2cncs2 62a_100000184654_100015185245 [0,0,0,0,0,2|1,0,0]=3 6439 B17R2.4343 CNCc1ccccc1SCc2cncs2 62a_100015185245_100000184654 [0,0,0,0,0,2|1,0,0]=3 6440 B17R2.4343 CNCc1ccccc1SCc2cscn2 62a_100000184654_100000205941 [0,0,0,0,0,2|2,0,0]=4 6441 B17R2.4343 CNCc1ccccc1SCc2cscn2 62a_100000205941_100000184654 [0,0,0,0,0,2|2,0,0]=4 6442 B17R2.4343 CNCc1ccccc1SCc2ncc[nH]2 62a_100000184654_100016991755 [0,0,0,0,0,2|2,0,0]=4 6443 B17R2.4343 CNCc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000184654 [0,0,0,0,0,2|2,0,0]=4 6444 B17R2.4343 CNCc1ccccc1SCc2ncco2 62a_100000184654_103436540062 [0,0,0,0,0,2|1,1,0]=4 6445 B17R2.4343 CNCc1ccccc1SCc2ncco2 62a_103436540062_100000184654 [0,0,0,0,0,2|1,1,0]=4 6446 B17R2.4343 CNCc1ccccc1SCc2nccs2 62a_100000184654_100015184050 [0,0,0,0,0,2|1,0,0]=3 6447 B17R2.4343 CNCc1ccccc1SCc2nccs2 62a_100015184050_100000184654 [0,0,0,0,0,2|1,0,0]=3 6448 B17R2.4343 CNCc1cccnc1SCc2cncs2 62a_100015185245_103496529121 [0,0,0,0,0,2|2,0,0]=4 6449 B17R2.4343 CNCc1cccnc1SCc2cncs2 62a_103496529121_100015185245 [0,0,0,0,0,2|2,0,0]=4 6450 B17R2.4343 CNCc1cccnc1SCc2nccs2 62a_100015184050_103496529121 [0,0,0,0,0,2|2,0,0]=4 6451 B17R2.4343 CNCc1cccnc1SCc2nccs2 62a_103496529121_100015184050 [0,0,0,0,0,2|2,0,0]=4 6452 B17R2.4343 COCc1ccccc1OCc2cncs2 34a_100011488565_100015185245 [0,0,0,0,0,2|2,0,0]=4 6453 B17R2.4343 COCc1ccccc1OCc2cncs2 7a_100011488565_100015185245 [0,0,0,0,0,2|2,0,0]=4 6454 B17R2.4343 COCc1ccccc1OCc2nccs2 34a_100011488565_100015184050 [0,0,0,0,0,2|2,0,0]=4 6455 B17R2.4343 COCc1ccccc1OCc2nccs2 7a_100011488565_100015184050 [0,0,0,0,0,2|2,0,0]=4 6456 B17R2.4343 COCc1ccccc1SCc2cncs2 62a_100011493684_100015185245 [0,0,0,0,0,2|2,0,0]=4 6457 B17R2.4343 COCc1ccccc1SCc2cncs2 62a_100015185245_100011493684 [0,0,0,0,0,2|2,0,0]=4 6458 B17R2.4343 COCc1ccccc1SCc2nccs2 62a_100011493684_100015184050 [0,0,0,0,0,2|2,0,0]=4 6459 B17R2.4343 COCc1ccccc1SCc2nccs2 62a_100015184050_100011493684 [0,0,0,0,0,2|2,0,0]=4 6460 B17R2.4343 CSCc1ccccc1SCc2cncs2 62a_100000148299_100015185245 [0,0,0,0,0,2|2,0,0]=4 6461 B17R2.4343 CSCc1ccccc1SCc2cncs2 62a_100015185245_100000148299 [0,0,0,0,0,2|2,0,0]=4 6462 B17R2.4343 CSCc1ccccc1SCc2nccs2 62a_100000148299_100015184050 [0,0,0,0,0,2|2,0,0]=4 6463 B17R2.4343 CSCc1ccccc1SCc2nccs2 62a_100015184050_100000148299 [0,0,0,0,0,2|2,0,0]=4 6464 B17R2.4343 N#CCc1ccccc1CSc2cccs2 62a_100010402002_100011215356 [0,0,0,0,0,2|2,0,0]=4 6465 B17R2.4343 N#CCc1ccccc1CSc2cccs2 62a_100011215356_100010402002 [0,0,0,0,0,2|2,0,0]=4 6466 B17R2.4343 NNCc1ccccc1SCc2cncs2 62a_100015185245_200016993956 [0,0,0,0,0,2|2,0,0]=4 6467 B17R2.4343 NNCc1ccccc1SCc2cncs2 62a_200016993956_100015185245 [0,0,0,0,0,2|2,0,0]=4 6468 B17R2.4343 NNCc1ccccc1SCc2nccs2 62a_100015184050_200016993956 [0,0,0,0,0,2|2,0,0]=4 6469 B17R2.4343 NNCc1ccccc1SCc2nccs2 62a_200016993956_100015184050 [0,0,0,0,0,2|2,0,0]=4 6470 B17R2.4343 OCCc1ccccc1NCc2cccs2 207a_100011215289_100000209959 [0,0,0,0,0,2|2,0,0]=4 6471 B17R2.4343 OCCc1ccccc1NCc2cccs2 270302a_100011215289_100000209959 [0,0,0,0,0,2|2,0,0]=4