0 B14R2.112 C=C=Cc1cc2ccccc2cn1 271570a_100015277604_100000047361 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.112 C=C=Cc1ccc2ccccc2c1 271570a_100015277604_100000233703 [0,0,0,0,0,0|1,0,2]=3 2 B14R2.112 C=C=Cc1ccc2ccccc2n1 271570a_100015277604_100011291633 [0,0,0,0,0,0|2,0,2]=4 3 B14R2.112 C=C=Cc1ccc2cccnc2c1 271570a_100015277604_100009816655 [0,0,0,0,0,0|2,0,2]=4 4 B14R2.112 C=C=Cc1ccc2ccncc2c1 271570a_100015277604_100000686496 [0,0,0,0,0,0|2,0,2]=4 5 B14R2.112 C=C=Cc1ccc2cnccc2c1 271570a_100015277604_100009816743 [0,0,0,0,0,0|2,0,2]=4 6 B14R2.112 C=C=Cc1ccc2ncccc2c1 271570a_100015277604_100000754243 [0,0,0,0,0,0|2,0,2]=4 7 B14R2.112 C=C=Cc1cnc2ccccc2c1 271570a_100015277604_100000737414 [0,0,0,0,0,0|2,0,2]=4 8 B14R2.112 CC=Cc1cc2ccccc2cn1 271570a_100016259895_100000047361 [0,0,0,0,0,0|2,0,1]=3 9 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [0,0,0,0,0,0|1,0,1]=2 10 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [0,0,0,0,0,0|2,0,1]=3 11 B14R2.112 CC=Cc1ccc2cccnc2c1 271570a_100016259895_100009816655 [0,0,0,0,0,0|2,0,1]=3 12 B14R2.112 CC=Cc1ccc2cccnc2n1 271570a_100016259895_100009888989 [0,0,0,0,0,0|3,0,1]=4 13 B14R2.112 CC=Cc1ccc2ccncc2c1 271570a_100016259895_100000686496 [0,0,0,0,0,0|2,0,1]=3 14 B14R2.112 CC=Cc1ccc2ccncc2n1 271570a_100016259895_100000020162 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.112 CC=Cc1ccc2cnccc2c1 271570a_100016259895_100009816743 [0,0,0,0,0,0|2,0,1]=3 16 B14R2.112 CC=Cc1ccc2cncnc2c1 271570a_100016259895_100010185614 [0,0,0,0,0,0|3,0,1]=4 17 B14R2.112 CC=Cc1ccc2cnncc2c1 271570a_100016259895_100010198781 [0,0,0,0,0,0|3,0,1]=4 18 B14R2.112 CC=Cc1ccc2ncccc2c1 271570a_100016259895_100000754243 [0,0,0,0,0,0|2,0,1]=3 19 B14R2.112 CC=Cc1ccc2ncccc2n1 271570a_100016259895_100000073381 [0,0,0,0,0,0|3,0,1]=4 20 B14R2.112 CC=Cc1ccc2nccnc2c1 271570a_100016259895_100011219451 [0,0,0,0,0,0|3,0,1]=4 21 B14R2.112 CC=Cc1ccc2ncncc2c1 271570a_100016259895_100009989443 [0,0,0,0,0,0|3,0,1]=4 22 B14R2.112 CC=Cc1ccc2nnccc2c1 271570a_100016259895_100010209549 [0,0,0,0,0,0|3,0,1]=4 23 B14R2.112 CC=Cc1cnc2ccccc2c1 271570a_100016259895_100000737414 [0,0,0,0,0,0|2,0,1]=3 24 B14R2.112 CC=Cc1cnc2ccccc2n1 271570a_100016259895_100000756483 [0,0,0,0,0,0|3,0,1]=4 25 B14R2.112 CC=Cc1cnc2cccnc2c1 271570a_100016259895_100010246316 [0,0,0,0,0,0|3,0,1]=4 26 B14R2.112 CC=Cc1ncc2ccccc2n1 271570a_100016259895_100000097389 [0,0,0,0,0,0|3,0,1]=4 27 B14R2.112 CCNc1cc2nccnc2cn1 27a_100015525214_100000070204 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [0,0,0,0,0,0|1,0,0]=1 29 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [0,0,0,0,0,0|1,0,0]=1 30 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [0,0,0,0,0,0|2,0,0]=2 31 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [0,0,0,0,0,0|2,0,0]=2 32 B14R2.112 CCNc1ccc2cccnc2n1 27a_100015525214_100000075685 [0,0,0,0,0,0|3,0,0]=3 33 B14R2.112 CCNc1ccc2ccncc2n1 27a_100015525214_100000020162 [0,0,0,0,0,0|3,0,0]=3 34 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [0,0,0,0,0,0|2,0,0]=2 35 B14R2.112 CCNc1ccc2cncnc2c1 27a_100015525214_100010185614 [0,0,0,0,0,0|3,0,0]=3 36 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [0,0,0,0,0,0|2,0,0]=2 37 B14R2.112 CCNc1ccc2ncccc2n1 27a_100015525214_100000073381 [0,0,0,0,0,0|3,0,0]=3 38 B14R2.112 CCNc1ccc2nccnc2c1 27a_100015525214_100011219451 [0,0,0,0,0,0|3,0,0]=3 39 B14R2.112 CCNc1ccc2nccnc2c1 34a_100011219565_100000210202 [0,0,0,0,0,0|3,0,0]=3 40 B14R2.112 CCNc1ccc2nccnc2n1 27a_100015525214_100012351543 [0,0,0,0,0,0|4,0,0]=4 41 B14R2.112 CCNc1cnc2ccccc2n1 27a_100015525214_100000756483 [0,0,0,0,0,0|3,0,0]=3 42 B14R2.112 CCNc1cnc2cccnc2n1 27a_100015525214_200010275043 [0,0,0,0,0,0|4,0,0]=4 43 B14R2.112 CCNc1cnc2ncccc2n1 27a_100015525214_100000084304 [0,0,0,0,0,0|4,0,0]=4 44 B14R2.112 CCNc1cnc2nccnc2c1 27a_100015525214_100000753224 [0,0,0,0,0,0|4,0,0]=4 45 B14R2.112 CCNc1ncc2ccccc2n1 27a_100015525214_100000097389 [0,0,0,0,0,0|3,0,0]=3 46 B14R2.112 CCNc1ncc2cccnc2n1 27a_100015525214_100009875485 [0,0,0,0,0,0|4,0,0]=4 47 B14R2.112 CCOC1CCc2ccccc2C1 34a_100011216300_100000210202 [0,0,0,0,0,0|0,0,4]=4 48 B14R2.112 CCOC1CCc2ccccc2C1 7a_100011216300_100000210202 [0,0,0,0,0,0|0,0,4]=4 49 B14R2.112 CCOC1Cc2ccccc2CO1 34a_200000095866_100000210202 [0,0,0,0,0,0|1,0,3]=4 50 B14R2.112 CCOc1ccc2c(c1)CCCC2 34a_100000186212_100000210202 [0,0,0,0,0,0|0,0,4]=4 51 B14R2.112 CCOc1ccc2c(c1)CCCC2 7a_100000186212_100000210202 [0,0,0,0,0,0|0,0,4]=4 52 B14R2.112 CCOc1ccc2c(c1)CCCN2 34a_100000070867_100000210202 [0,0,0,0,0,0|1,0,3]=4 53 B14R2.112 CCOc1ccc2c(c1)CCNC2 34a_100000077532_100000210202 [0,0,0,0,0,0|1,0,3]=4 54 B14R2.112 CCOc1ccc2c(c1)CCOC2 34a_100009841951_100000210202 [0,0,0,0,0,0|1,0,3]=4 55 B14R2.112 CCOc1ccc2c(c1)CCOC2 7a_100009841951_100000210202 [0,0,0,0,0,0|1,0,3]=4 56 B14R2.112 CCOc1ccc2c(c1)CNCC2 34a_100015185785_100000210202 [0,0,0,0,0,0|1,0,3]=4 57 B14R2.112 CCOc1ccc2c(c1)NCCC2 34a_106638131596_100000210202 [0,0,0,0,0,0|1,0,3]=4 58 B14R2.112 CCOc1ccc2c(c1)NCCO2 34a_100020636358_100000210202 [0,0,0,0,0,0|2,0,2]=4 59 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,0,0,0,0,0|2,0,2]=4 60 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [0,0,0,0,0,0|0,0,0]=0 61 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [0,0,0,0,0,0|0,0,0]=0 62 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [0,0,0,0,0,0|1,0,0]=1 63 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [0,0,0,0,0,0|1,0,0]=1 64 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [0,0,0,0,0,0|1,0,0]=1 65 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [0,0,0,0,0,0|1,0,0]=1 66 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [0,0,0,0,0,0|1,0,0]=1 67 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [0,0,0,0,0,0|1,0,0]=1 68 B14R2.112 CCOc1ccc2nccnc2c1 34a_100000694412_100000210202 [0,0,0,0,0,0|2,0,0]=2 69 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [0,0,0,0,0,0|1,0,0]=1 70 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [0,0,0,0,0,0|1,0,0]=1 71 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [0,0,0,0,0,0|1,1,0]=2 72 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [0,0,0,0,0,0|1,1,0]=2 73 B14R2.112 CCSc1cc2nccnc2cn1 62a_100000210202_100010370699 [0,0,0,0,0,0|3,1,0]=4 74 B14R2.112 CCSc1cc2nccnc2cn1 62a_100010370699_100000210202 [0,0,0,0,0,0|3,1,0]=4 75 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [0,0,0,0,0,0|0,1,0]=1 76 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [0,0,0,0,0,0|1,1,0]=2 77 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [0,0,0,0,0,0|1,1,0]=2 78 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [0,0,0,0,0,0|1,1,0]=2 79 B14R2.112 CCSc1ccc2cccnc2n1 62a_100000075685_100000210202 [0,0,0,0,0,0|2,1,0]=3 80 B14R2.112 CCSc1ccc2cccnc2n1 62a_100000210202_100000075685 [0,0,0,0,0,0|2,1,0]=3 81 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000210202_100000686496 [0,0,0,0,0,0|1,1,0]=2 82 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000686496_100000210202 [0,0,0,0,0,0|1,1,0]=2 83 B14R2.112 CCSc1ccc2ccncc2n1 62a_100000210202_100000020162 [0,0,0,0,0,0|2,1,0]=3 84 B14R2.112 CCSc1ccc2cnccc2c1 62a_100000210202_100009816743 [0,0,0,0,0,0|1,1,0]=2 85 B14R2.112 CCSc1ccc2cnccc2c1 62a_100009816743_100000210202 [0,0,0,0,0,0|1,1,0]=2 86 B14R2.112 CCSc1ccc2cncnc2c1 62a_100000210202_100010185614 [0,0,0,0,0,0|2,1,0]=3 87 B14R2.112 CCSc1ccc2cncnc2c1 62a_100010185614_100000210202 [0,0,0,0,0,0|2,1,0]=3 88 B14R2.112 CCSc1ccc2cnncc2c1 62a_100000210202_100010198781 [0,0,0,0,0,0|2,1,0]=3 89 B14R2.112 CCSc1ccc2cnncc2c1 62a_100010198781_100000210202 [0,0,0,0,0,0|2,1,0]=3 90 B14R2.112 CCSc1ccc2ncccc2c1 62a_100000210202_100011215947 [0,0,0,0,0,0|1,1,0]=2 91 B14R2.112 CCSc1ccc2ncccc2c1 62a_100011215947_100000210202 [0,0,0,0,0,0|1,1,0]=2 92 B14R2.112 CCSc1ccc2ncccc2n1 62a_100000210202_100000073381 [0,0,0,0,0,0|2,1,0]=3 93 B14R2.112 CCSc1ccc2nccnc2c1 62a_100000210202_100011219451 [0,0,0,0,0,0|2,1,0]=3 94 B14R2.112 CCSc1ccc2nccnc2c1 62a_100011219451_100000210202 [0,0,0,0,0,0|2,1,0]=3 95 B14R2.112 CCSc1ccc2nccnc2n1 62a_100000210202_100012351543 [0,0,0,0,0,0|3,1,0]=4 96 B14R2.112 CCSc1ccc2nccnc2n1 62a_100012351543_100000210202 [0,0,0,0,0,0|3,1,0]=4 97 B14R2.112 CCSc1ccc2ncncc2c1 62a_100000210202_100009989443 [0,0,0,0,0,0|2,1,0]=3 98 B14R2.112 CCSc1ccc2ncncc2c1 62a_100009989443_100000210202 [0,0,0,0,0,0|2,1,0]=3 99 B14R2.112 CCSc1ccc2nnccc2c1 62a_100000210202_100010209549 [0,0,0,0,0,0|2,1,0]=3 100 B14R2.112 CCSc1ccc2nnccc2c1 62a_100010209549_100000210202 [0,0,0,0,0,0|2,1,0]=3 101 B14R2.112 CCSc1cnc2ccccc2c1 62a_100000210202_100000737414 [0,0,0,0,0,0|1,1,0]=2 102 B14R2.112 CCSc1cnc2ccccc2n1 62a_100000210202_100000756483 [0,0,0,0,0,0|2,1,0]=3 103 B14R2.112 CCSc1cnc2ccccc2n1 62a_100000756483_100000210202 [0,0,0,0,0,0|2,1,0]=3 104 B14R2.112 CCSc1cnc2cccnc2c1 62a_100000210202_100010246316 [0,0,0,0,0,0|2,1,0]=3 105 B14R2.112 CCSc1cnc2cccnc2c1 62a_100010246316_100000210202 [0,0,0,0,0,0|2,1,0]=3 106 B14R2.112 CCSc1cnc2cccnc2n1 62a_100000210202_200010275043 [0,0,0,0,0,0|3,1,0]=4 107 B14R2.112 CCSc1cnc2cccnc2n1 62a_200010275043_100000210202 [0,0,0,0,0,0|3,1,0]=4 108 B14R2.112 CCSc1cnc2ncccc2n1 62a_100000084304_100000210202 [0,0,0,0,0,0|3,1,0]=4 109 B14R2.112 CCSc1cnc2ncccc2n1 62a_100000210202_100000084304 [0,0,0,0,0,0|3,1,0]=4 110 B14R2.112 CCSc1cnc2nccnc2c1 62a_100000210202_100000753224 [0,0,0,0,0,0|3,1,0]=4 111 B14R2.112 CCSc1cnc2nccnc2c1 62a_100000753224_100000210202 [0,0,0,0,0,0|3,1,0]=4 112 B14R2.112 CCSc1ncc2ccccc2n1 62a_100000210202_100000097389 [0,0,0,0,0,0|2,1,0]=3 113 B14R2.112 CCSc1ncc2cccnc2n1 62a_100000210202_100009875485 [0,0,0,0,0,0|3,1,0]=4 114 B14R2.112 CCSc1ncc2cccnc2n1 62a_100009875485_100000210202 [0,0,0,0,0,0|3,1,0]=4 115 B14R2.112 CNCC1=Cc2ccccc2OC1 270004a_106832991635_100000013085 [0,0,0,0,0,0|3,0,1]=4 116 B14R2.112 CNCc1cc2ccccc2cn1 207a_100102657272_100000059776 [0,0,0,0,0,0|3,0,0]=3 117 B14R2.112 CNCc1cc2ccccc2cn1 2230a_106832991635_100009869231 [0,0,0,0,0,0|3,0,0]=3 118 B14R2.112 CNCc1cc2ccccc2cn1 270004a_106832991635_100000059776 [0,0,0,0,0,0|3,0,0]=3 119 B14R2.112 CNCc1cc2ccccc2cn1 34a_100102657272_100009869231 [0,0,0,0,0,0|3,0,0]=3 120 B14R2.112 CNCc1cc2ccccc2cn1 7a_106832991635_100009869231 [0,0,0,0,0,0|3,0,0]=3 121 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [0,0,0,0,0,0|2,0,0]=2 122 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [0,0,0,0,0,0|2,0,0]=2 124 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [0,0,0,0,0,0|2,0,0]=2 125 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [0,0,0,0,0,0|2,0,0]=2 126 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [0,0,0,0,0,0|2,0,0]=2 127 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [0,0,0,0,0,0|2,0,0]=2 128 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [0,0,0,0,0,0|3,0,0]=3 129 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [0,0,0,0,0,0|3,0,0]=3 130 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [0,0,0,0,0,0|3,0,0]=3 131 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [0,0,0,0,0,0|3,0,0]=3 132 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [0,0,0,0,0,0|3,0,0]=3 133 B14R2.112 CNCc1ccc2cccnc2c1 207a_100102657272_100011784159 [0,0,0,0,0,0|3,0,0]=3 134 B14R2.112 CNCc1ccc2cccnc2c1 270004a_106832991635_100011784159 [0,0,0,0,0,0|3,0,0]=3 135 B14R2.112 CNCc1ccc2cnccc2c1 207a_100102657272_100000068276 [0,0,0,0,0,0|3,0,0]=3 136 B14R2.112 CNCc1ccc2cnccc2c1 2230a_106832991635_100020605334 [0,0,0,0,0,0|3,0,0]=3 137 B14R2.112 CNCc1ccc2cnccc2c1 270004a_106832991635_100000068276 [0,0,0,0,0,0|3,0,0]=3 138 B14R2.112 CNCc1ccc2cnccc2c1 34a_100102657272_100020605334 [0,0,0,0,0,0|3,0,0]=3 139 B14R2.112 CNCc1ccc2cnccc2c1 7a_106832991635_100020605334 [0,0,0,0,0,0|3,0,0]=3 140 B14R2.112 CNCc1ccc2ncccc2c1 207a_100102657272_100000211315 [0,0,0,0,0,0|3,0,0]=3 141 B14R2.112 CNCc1ccc2ncccc2c1 2230a_106832991635_100000703657 [0,0,0,0,0,0|3,0,0]=3 142 B14R2.112 CNCc1ccc2ncccc2c1 270004a_106832991635_100000211315 [0,0,0,0,0,0|3,0,0]=3 143 B14R2.112 CNCc1ccc2ncccc2c1 34a_100000238500_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B14R2.112 CNCc1ccc2ncccc2c1 34a_100102657272_100000703657 [0,0,0,0,0,0|3,0,0]=3 145 B14R2.112 CNCc1ccc2ncccc2c1 7a_106832991635_100000703657 [0,0,0,0,0,0|3,0,0]=3 146 B14R2.112 CNCc1ccc2nccnc2c1 2230a_106832991635_200011762199 [0,0,0,0,0,0|4,0,0]=4 147 B14R2.112 CNCc1ccc2nccnc2c1 270004a_106832991635_100000239887 [0,0,0,0,0,0|4,0,0]=4 148 B14R2.112 CNCc1ccc2nccnc2c1 7a_106832991635_200011762199 [0,0,0,0,0,0|4,0,0]=4 149 B14R2.112 CNCc1cnc2ccccc2c1 207a_100102657272_100000750898 [0,0,0,0,0,0|3,0,0]=3 150 B14R2.112 CNCc1cnc2ccccc2c1 270004a_106832991635_100000750898 [0,0,0,0,0,0|3,0,0]=3 151 B14R2.112 CNCc1cnc2ccccc2c1 34a_100000742225_200000210301 [0,0,0,0,0,0|3,0,0]=3 152 B14R2.112 CNCc1cnc2ccccc2n1 270004a_106832991635_100000204677 [0,0,0,0,0,0|4,0,0]=4 153 B14R2.112 CNCc1cnc2ccccc2n1 7a_106832991635_200000751123 [0,0,0,0,0,0|4,0,0]=4 154 B14R2.112 CNCc1ncc2ccccc2n1 34a_100102657272_100009868571 [0,0,0,0,0,0|4,0,0]=4 155 B14R2.112 CNCc1ncc2ccccc2n1 7a_106832991635_100009868571 [0,0,0,0,0,0|4,0,0]=4 156 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [0,0,0,0,0,0|3,0,0]=3 157 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [0,0,0,0,0,0|2,0,0]=2 158 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [0,0,0,0,0,0|2,0,0]=2 159 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [0,0,0,0,0,0|2,0,0]=2 160 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [0,0,0,0,0,0|3,0,0]=3 161 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [0,0,0,0,0,0|3,0,0]=3 162 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [0,0,0,0,0,0|3,0,0]=3 163 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [0,0,0,0,0,0|3,0,0]=3 164 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [0,0,0,0,0,0|3,0,0]=3 165 B14R2.112 COCc1ncc2ccccc2n1 34a_100138415774_100009868571 [0,0,0,0,0,0|4,0,0]=4 166 B14R2.112 CSCc1cc2ccccc2cn1 62a_100009869231_200000210301 [0,0,0,0,0,0|3,0,0]=3 167 B14R2.112 CSCc1cc2ccccc2cn1 62a_200000210301_100009869231 [0,0,0,0,0,0|3,0,0]=3 168 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [0,0,0,0,0,0|2,0,0]=2 169 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [0,0,0,0,0,0|2,0,0]=2 170 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [0,0,0,0,0,0|3,0,0]=3 171 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [0,0,0,0,0,0|3,0,0]=3 172 B14R2.112 CSCc1ccc2cnccc2c1 62a_100020605334_200000210301 [0,0,0,0,0,0|3,0,0]=3 173 B14R2.112 CSCc1ccc2cnccc2c1 62a_200000210301_100020605334 [0,0,0,0,0,0|3,0,0]=3 174 B14R2.112 CSCc1ccc2ncccc2c1 62a_100000703657_200000210301 [0,0,0,0,0,0|3,0,0]=3 175 B14R2.112 CSCc1ccc2ncccc2c1 62a_200000210301_100000703657 [0,0,0,0,0,0|3,0,0]=3 176 B14R2.112 CSCc1ccc2nccnc2c1 62a_200000210301_200011762199 [0,0,0,0,0,0|4,0,0]=4 177 B14R2.112 CSCc1ccc2nccnc2c1 62a_200011762199_200000210301 [0,0,0,0,0,0|4,0,0]=4 178 B14R2.112 CSCc1cnc2ccccc2n1 62a_200000210301_200000751123 [0,0,0,0,0,0|4,0,0]=4 179 B14R2.112 CSCc1cnc2ccccc2n1 62a_200000751123_200000210301 [0,0,0,0,0,0|4,0,0]=4 180 B14R2.112 CSCc1ncc2ccccc2n1 62a_100009868571_200000210301 [0,0,0,0,0,0|4,0,0]=4 181 B14R2.112 CSCc1ncc2ccccc2n1 62a_200000210301_100009868571 [0,0,0,0,0,0|4,0,0]=4 182 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [0,0,0,0,0,0|2,0,0]=2 183 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [0,0,0,0,0,0|2,0,0]=2 184 B14R2.112 FCNc1ccc2cccnc2c1 34a_100102887122_100015361967 [0,0,0,0,0,0|3,0,0]=3 185 B14R2.112 FCNc1ccc2cnccc2c1 34a_100000039641_100015361967 [0,0,0,0,0,0|3,0,0]=3 186 B14R2.112 FCNc1ccc2ncccc2c1 34a_100011198106_100015361967 [0,0,0,0,0,0|3,0,0]=3 187 B14R2.112 FCNc1ccc2nccnc2c1 34a_100011219565_100015361967 [0,0,0,0,0,0|4,0,0]=4 188 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [0,0,0,0,0,0|1,0,0]=1 189 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [0,0,0,0,0,0|1,0,0]=1 190 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [0,0,0,0,0,0|2,0,0]=2 191 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [0,0,0,0,0,0|2,0,0]=2 192 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [0,0,0,0,0,0|2,0,0]=2 193 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [0,0,0,0,0,0|2,0,0]=2 194 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [0,0,0,0,0,0|2,0,0]=2 195 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [0,0,0,0,0,0|2,0,0]=2 196 B14R2.112 FCOc1ccc2nccnc2c1 34a_100000694412_100015361967 [0,0,0,0,0,0|3,0,0]=3 197 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [0,0,0,0,0,0|2,0,0]=2 198 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [0,0,0,0,0,0|2,0,0]=2 199 B14R2.112 FCSc1cc2ccccc2cn1 62a_100009816522_100015361967 [0,0,0,0,0,0|2,1,0]=3 200 B14R2.112 FCSc1cc2ccccc2cn1 62a_100015361967_100000047361 [0,0,0,0,0,0|2,1,0]=3 201 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [0,0,0,0,0,0|1,1,0]=2 202 B14R2.112 FCSc1ccc2ccccc2n1 62a_100011291633_100015361967 [0,0,0,0,0,0|2,1,0]=3 203 B14R2.112 FCSc1ccc2ccccc2n1 62a_100015361967_100011291633 [0,0,0,0,0,0|2,1,0]=3 204 B14R2.112 FCSc1ccc2cccnc2c1 62a_100015361967_100009816655 [0,0,0,0,0,0|2,1,0]=3 205 B14R2.112 FCSc1ccc2cccnc2n1 62a_100000075685_100015361967 [0,0,0,0,0,0|3,1,0]=4 206 B14R2.112 FCSc1ccc2cccnc2n1 62a_100015361967_100000075685 [0,0,0,0,0,0|3,1,0]=4 207 B14R2.112 FCSc1ccc2ccncc2c1 62a_100000686496_100015361967 [0,0,0,0,0,0|2,1,0]=3 208 B14R2.112 FCSc1ccc2ccncc2c1 62a_100015361967_100000686496 [0,0,0,0,0,0|2,1,0]=3 209 B14R2.112 FCSc1ccc2ccncc2n1 62a_100015361967_100000020162 [0,0,0,0,0,0|3,1,0]=4 210 B14R2.112 FCSc1ccc2cnccc2c1 62a_100009816743_100015361967 [0,0,0,0,0,0|2,1,0]=3 211 B14R2.112 FCSc1ccc2cnccc2c1 62a_100015361967_100009816743 [0,0,0,0,0,0|2,1,0]=3 212 B14R2.112 FCSc1ccc2cncnc2c1 62a_100010185614_100015361967 [0,0,0,0,0,0|3,1,0]=4 213 B14R2.112 FCSc1ccc2cncnc2c1 62a_100015361967_100010185614 [0,0,0,0,0,0|3,1,0]=4 214 B14R2.112 FCSc1ccc2cnncc2c1 62a_100010198781_100015361967 [0,0,0,0,0,0|3,1,0]=4 215 B14R2.112 FCSc1ccc2cnncc2c1 62a_100015361967_100010198781 [0,0,0,0,0,0|3,1,0]=4 216 B14R2.112 FCSc1ccc2ncccc2c1 62a_100011215947_100015361967 [0,0,0,0,0,0|2,1,0]=3 217 B14R2.112 FCSc1ccc2ncccc2c1 62a_100015361967_100011215947 [0,0,0,0,0,0|2,1,0]=3 218 B14R2.112 FCSc1ccc2ncccc2n1 62a_100015361967_100000073381 [0,0,0,0,0,0|3,1,0]=4 219 B14R2.112 FCSc1ccc2nccnc2c1 62a_100011219451_100015361967 [0,0,0,0,0,0|3,1,0]=4 220 B14R2.112 FCSc1ccc2nccnc2c1 62a_100015361967_100011219451 [0,0,0,0,0,0|3,1,0]=4 221 B14R2.112 FCSc1ccc2ncncc2c1 62a_100009989443_100015361967 [0,0,0,0,0,0|3,1,0]=4 222 B14R2.112 FCSc1ccc2ncncc2c1 62a_100015361967_100009989443 [0,0,0,0,0,0|3,1,0]=4 223 B14R2.112 FCSc1ccc2nnccc2c1 62a_100010209549_100015361967 [0,0,0,0,0,0|3,1,0]=4 224 B14R2.112 FCSc1ccc2nnccc2c1 62a_100015361967_100010209549 [0,0,0,0,0,0|3,1,0]=4 225 B14R2.112 FCSc1cnc2ccccc2c1 62a_100015361967_100000737414 [0,0,0,0,0,0|2,1,0]=3 226 B14R2.112 FCSc1cnc2ccccc2n1 62a_100000756483_100015361967 [0,0,0,0,0,0|3,1,0]=4 227 B14R2.112 FCSc1cnc2ccccc2n1 62a_100015361967_100000756483 [0,0,0,0,0,0|3,1,0]=4 228 B14R2.112 FCSc1cnc2cccnc2c1 62a_100010246316_100015361967 [0,0,0,0,0,0|3,1,0]=4 229 B14R2.112 FCSc1cnc2cccnc2c1 62a_100015361967_100010246316 [0,0,0,0,0,0|3,1,0]=4 230 B14R2.112 FCSc1ncc2ccccc2n1 62a_100015361967_100000097389 [0,0,0,0,0,0|3,1,0]=4 231 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [0,0,0,0,0,0|2,0,0]=2 232 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [0,0,0,0,0,0|2,0,0]=2 233 B14R2.112 [13CH3]NCc1ccc2ncccc2c1 34a_100000238500_200025704644 [0,0,0,0,0,0|3,0,0]=3 234 B14R2.112 [13CH3]NCc1cnc2ccccc2c1 34a_100000742225_200025704644 [0,0,0,0,0,0|3,0,0]=3 235 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [0,0,0,0,0,0|2,0,0]=2 236 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [0,0,0,0,0,0|2,0,0]=2 237 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [0,0,0,0,0,0|3,0,0]=3 238 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [0,0,0,0,0,0|3,0,0]=3 239 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_100009869231_200025704644 [0,0,0,0,0,0|3,0,0]=3 240 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_200025704644_100009869231 [0,0,0,0,0,0|3,0,0]=3 241 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [0,0,0,0,0,0|2,0,0]=2 242 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [0,0,0,0,0,0|2,0,0]=2 243 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [0,0,0,0,0,0|3,0,0]=3 244 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [0,0,0,0,0,0|3,0,0]=3 245 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_100020605334_200025704644 [0,0,0,0,0,0|3,0,0]=3 246 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_200025704644_100020605334 [0,0,0,0,0,0|3,0,0]=3 247 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_100000703657_200025704644 [0,0,0,0,0,0|3,0,0]=3 248 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_200025704644_100000703657 [0,0,0,0,0,0|3,0,0]=3 249 B14R2.112 [13CH3]SCc1ccc2nccnc2c1 62a_200011762199_200025704644 [0,0,0,0,0,0|4,0,0]=4 250 B14R2.112 [13CH3]SCc1ccc2nccnc2c1 62a_200025704644_200011762199 [0,0,0,0,0,0|4,0,0]=4 251 B14R2.112 [13CH3]SCc1cnc2ccccc2n1 62a_200000751123_200025704644 [0,0,0,0,0,0|4,0,0]=4 252 B14R2.112 [13CH3]SCc1cnc2ccccc2n1 62a_200025704644_200000751123 [0,0,0,0,0,0|4,0,0]=4 253 B14R2.112 [13CH3]SCc1ncc2ccccc2n1 62a_100009868571_200025704644 [0,0,0,0,0,0|4,0,0]=4 254 B14R2.112 [13CH3]SCc1ncc2ccccc2n1 62a_200025704644_100009868571 [0,0,0,0,0,0|4,0,0]=4 255 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [1,0,0,0,0,0|1,0,2]=4 256 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,0,0,0,0,0|0,0,2]=3 257 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,0,0,0,0,0|1,0,2]=4 258 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [1,0,0,0,0,0|1,0,2]=4 259 B13R2.57 C=Cc1ccc2ccncc2c1 271570a_100011290941_100000686496 [1,0,0,0,0,0|1,0,2]=4 260 B13R2.57 C=Cc1ccc2cnccc2c1 271570a_100011290941_100009816743 [1,0,0,0,0,0|1,0,2]=4 261 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [1,0,0,0,0,0|1,0,2]=4 262 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,0,0,0,0,0|1,0,2]=4 263 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,0,0,0,0,0|1,0,0]=2 264 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,0,0,0,0,0|1,0,0]=2 265 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,0,0,0,0,0|2,0,0]=3 266 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B13R2.57 CNc1ccc2cccnc2n1 27a_100102657272_100000075685 [1,0,0,0,0,0|3,0,0]=4 268 B13R2.57 CNc1ccc2ccncc2n1 27a_100102657272_100000020162 [1,0,0,0,0,0|3,0,0]=4 269 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [1,0,0,0,0,0|2,0,0]=3 270 B13R2.57 CNc1ccc2cncnc2c1 27a_100102657272_100010185614 [1,0,0,0,0,0|3,0,0]=4 271 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [1,0,0,0,0,0|2,0,0]=3 272 B13R2.57 CNc1ccc2ncccc2n1 27a_100102657272_100000073381 [1,0,0,0,0,0|3,0,0]=4 273 B13R2.57 CNc1ccc2nccnc2c1 27a_100102657272_100011219451 [1,0,0,0,0,0|3,0,0]=4 274 B13R2.57 CNc1ccc2nccnc2c1 34a_100011219565_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B13R2.57 CNc1cnc2ccccc2n1 27a_100102657272_100000756483 [1,0,0,0,0,0|3,0,0]=4 276 B13R2.57 CNc1ncc2ccccc2n1 27a_100102657272_100000097389 [1,0,0,0,0,0|3,0,0]=4 277 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,0,0,0,0,0|0,0,0]=1 278 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,0,0,0,0,0|0,0,0]=1 279 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,0,0,0,0,0|1,0,0]=2 280 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,0,0,0,0,0|1,0,0]=2 281 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,0,0,0,0,0|1,0,0]=2 282 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,0,0,0,0,0|1,0,0]=2 283 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,0,0,0,0,0|1,0,0]=2 284 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,0,0,0,0,0|1,0,0]=2 285 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [1,0,0,0,0,0|2,0,0]=3 286 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,0,0,0,0,0|1,0,0]=2 287 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,0,0,0,0,0|1,0,0]=2 288 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [1,0,0,0,0,0|1,1,0]=3 289 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [1,0,0,0,0,0|1,1,0]=3 290 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,0,0,0,0,0|0,1,0]=2 291 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,0,0,0,0,0|1,1,0]=3 292 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,0,0,0,0,0|1,1,0]=3 293 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [1,0,0,0,0,0|1,1,0]=3 294 B13R2.57 CSc1ccc2cccnc2n1 62a_100000075685_200000210301 [1,0,0,0,0,0|2,1,0]=4 295 B13R2.57 CSc1ccc2cccnc2n1 62a_200000210301_100000075685 [1,0,0,0,0,0|2,1,0]=4 296 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [1,0,0,0,0,0|1,1,0]=3 297 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [1,0,0,0,0,0|1,1,0]=3 298 B13R2.57 CSc1ccc2ccncc2n1 62a_200000210301_100000020162 [1,0,0,0,0,0|2,1,0]=4 299 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [1,0,0,0,0,0|1,1,0]=3 300 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [1,0,0,0,0,0|1,1,0]=3 301 B13R2.57 CSc1ccc2cncnc2c1 62a_100010185614_200000210301 [1,0,0,0,0,0|2,1,0]=4 302 B13R2.57 CSc1ccc2cncnc2c1 62a_200000210301_100010185614 [1,0,0,0,0,0|2,1,0]=4 303 B13R2.57 CSc1ccc2cnncc2c1 62a_100010198781_200000210301 [1,0,0,0,0,0|2,1,0]=4 304 B13R2.57 CSc1ccc2cnncc2c1 62a_200000210301_100010198781 [1,0,0,0,0,0|2,1,0]=4 305 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [1,0,0,0,0,0|1,1,0]=3 306 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [1,0,0,0,0,0|1,1,0]=3 307 B13R2.57 CSc1ccc2ncccc2n1 62a_200000210301_100000073381 [1,0,0,0,0,0|2,1,0]=4 308 B13R2.57 CSc1ccc2nccnc2c1 62a_100011219451_200000210301 [1,0,0,0,0,0|2,1,0]=4 309 B13R2.57 CSc1ccc2nccnc2c1 62a_200000210301_100011219451 [1,0,0,0,0,0|2,1,0]=4 310 B13R2.57 CSc1ccc2ncncc2c1 62a_100009989443_200000210301 [1,0,0,0,0,0|2,1,0]=4 311 B13R2.57 CSc1ccc2ncncc2c1 62a_200000210301_100009989443 [1,0,0,0,0,0|2,1,0]=4 312 B13R2.57 CSc1ccc2nnccc2c1 62a_100010209549_200000210301 [1,0,0,0,0,0|2,1,0]=4 313 B13R2.57 CSc1ccc2nnccc2c1 62a_200000210301_100010209549 [1,0,0,0,0,0|2,1,0]=4 314 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [1,0,0,0,0,0|1,1,0]=3 315 B13R2.57 CSc1cnc2ccccc2n1 62a_100000756483_200000210301 [1,0,0,0,0,0|2,1,0]=4 316 B13R2.57 CSc1cnc2ccccc2n1 62a_200000210301_100000756483 [1,0,0,0,0,0|2,1,0]=4 317 B13R2.57 CSc1cnc2cccnc2c1 62a_100010246316_200000210301 [1,0,0,0,0,0|2,1,0]=4 318 B13R2.57 CSc1cnc2cccnc2c1 62a_200000210301_100010246316 [1,0,0,0,0,0|2,1,0]=4 319 B13R2.57 CSc1ncc2ccccc2n1 62a_200000210301_100000097389 [1,0,0,0,0,0|2,1,0]=4 320 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,0,0,0,0,0|1,0,0]=2 321 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,0,0,0,0,0|1,0,0]=2 322 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [1,0,0,0,0,0|2,0,0]=3 323 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [1,0,0,0,0,0|2,0,0]=3 325 B13R2.57 [13CH3]Nc1ccc2nccnc2c1 34a_100011219565_200025704644 [1,0,0,0,0,0|3,0,0]=4 326 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,0,0,0,0,0|0,0,0]=1 327 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,0,0,0,0,0|0,0,0]=1 328 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,0,0,0,0,0|1,0,0]=2 329 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,0,0,0,0,0|1,0,0]=2 330 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,0,0,0,0,0|1,0,0]=2 331 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,0,0,0,0,0|1,0,0]=2 332 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,0,0,0,0,0|1,0,0]=2 333 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,0,0,0,0,0|1,0,0]=2 334 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,0,0,0,0,0|1,0,0]=2 336 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,0,0,0,0,0|1,0,0]=2 337 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [1,0,0,0,0,0|1,1,0]=3 338 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [1,0,0,0,0,0|1,1,0]=3 339 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,0,0,0,0,0|0,1,0]=2 340 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,0,0,0,0,0|1,1,0]=3 341 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,0,0,0,0,0|1,1,0]=3 342 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [1,0,0,0,0,0|1,1,0]=3 343 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_100000075685_200025704644 [1,0,0,0,0,0|2,1,0]=4 344 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_200025704644_100000075685 [1,0,0,0,0,0|2,1,0]=4 345 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [1,0,0,0,0,0|1,1,0]=3 346 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [1,0,0,0,0,0|1,1,0]=3 347 B13R2.57 [13CH3]Sc1ccc2ccncc2n1 62a_200025704644_100000020162 [1,0,0,0,0,0|2,1,0]=4 348 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [1,0,0,0,0,0|1,1,0]=3 349 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [1,0,0,0,0,0|1,1,0]=3 350 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_100010185614_200025704644 [1,0,0,0,0,0|2,1,0]=4 351 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_200025704644_100010185614 [1,0,0,0,0,0|2,1,0]=4 352 B13R2.57 [13CH3]Sc1ccc2cnncc2c1 62a_100010198781_200025704644 [1,0,0,0,0,0|2,1,0]=4 353 B13R2.57 [13CH3]Sc1ccc2cnncc2c1 62a_200025704644_100010198781 [1,0,0,0,0,0|2,1,0]=4 354 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [1,0,0,0,0,0|1,1,0]=3 355 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [1,0,0,0,0,0|1,1,0]=3 356 B13R2.57 [13CH3]Sc1ccc2ncccc2n1 62a_200025704644_100000073381 [1,0,0,0,0,0|2,1,0]=4 357 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_100011219451_200025704644 [1,0,0,0,0,0|2,1,0]=4 358 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_200025704644_100011219451 [1,0,0,0,0,0|2,1,0]=4 359 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_100009989443_200025704644 [1,0,0,0,0,0|2,1,0]=4 360 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_200025704644_100009989443 [1,0,0,0,0,0|2,1,0]=4 361 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_100010209549_200025704644 [1,0,0,0,0,0|2,1,0]=4 362 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_200025704644_100010209549 [1,0,0,0,0,0|2,1,0]=4 363 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [1,0,0,0,0,0|1,1,0]=3 364 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_100000756483_200025704644 [1,0,0,0,0,0|2,1,0]=4 365 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_200025704644_100000756483 [1,0,0,0,0,0|2,1,0]=4 366 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_100010246316_200025704644 [1,0,0,0,0,0|2,1,0]=4 367 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_200025704644_100010246316 [1,0,0,0,0,0|2,1,0]=4 368 B13R2.57 [13CH3]Sc1ncc2ccccc2n1 62a_200025704644_100000097389 [1,0,0,0,0,0|2,1,0]=4 369 B15R2.352 C#CCNc1ccc2ccccc2c1 34a_100000211940_100000184674 [0,1,0,0,0,0|1,0,1]=3 370 B15R2.352 C#CCNc1ccc2ccccc2c1 7a_100000211940_100000038162 [0,1,0,0,0,0|1,0,1]=3 371 B15R2.352 C#CCNc1ccc2ccccc2n1 27a_100000212058_100011291633 [0,1,0,0,0,0|2,0,1]=4 372 B15R2.352 C#CCNc1ccc2cccnc2c1 34a_100102887122_100000184674 [0,1,0,0,0,0|2,0,1]=4 373 B15R2.352 C#CCNc1ccc2cnccc2c1 34a_100000039641_100000184674 [0,1,0,0,0,0|2,0,1]=4 374 B15R2.352 C#CCNc1ccc2ncccc2c1 34a_100011198106_100000184674 [0,1,0,0,0,0|2,0,1]=4 375 B15R2.352 C#CCOc1ccc2ccccc2c1 34a_100000185828_100000184674 [0,1,0,0,0,0|0,0,1]=2 376 B15R2.352 C#CCOc1ccc2ccccc2c1 7a_100000185828_100000038162 [0,1,0,0,0,0|0,0,1]=2 377 B15R2.352 C#CCOc1ccc2cccnc2c1 34a_100011216045_100000184674 [0,1,0,0,0,0|1,0,1]=3 378 B15R2.352 C#CCOc1ccc2ccncc2c1 7a_100000752006_100000038162 [0,1,0,0,0,0|1,0,1]=3 379 B15R2.352 C#CCOc1ccc2cnccc2c1 34a_100000046372_100000184674 [0,1,0,0,0,0|1,0,1]=3 380 B15R2.352 C#CCOc1ccc2cnccc2c1 7a_100000046372_100000038162 [0,1,0,0,0,0|1,0,1]=3 381 B15R2.352 C#CCOc1ccc2ncccc2c1 34a_100011215586_100000184674 [0,1,0,0,0,0|1,0,1]=3 382 B15R2.352 C#CCOc1ccc2ncccc2c1 7a_100011215586_100000038162 [0,1,0,0,0,0|1,0,1]=3 383 B15R2.352 C#CCOc1ccc2nccnc2c1 34a_100000694412_100000184674 [0,1,0,0,0,0|2,0,1]=4 384 B15R2.352 C#CCOc1cnc2ccccc2c1 34a_100011934006_100000184674 [0,1,0,0,0,0|1,0,1]=3 385 B15R2.352 C#CCOc1cnc2ccccc2c1 7a_100011934006_100000038162 [0,1,0,0,0,0|1,0,1]=3 386 B15R2.352 C#CCSc1cc2ccccc2cn1 62a_100000038162_100000047361 [0,1,0,0,0,0|1,1,1]=4 387 B15R2.352 C#CCSc1ccc2ccccc2c1 62a_100000038162_100000233703 [0,1,0,0,0,0|0,1,1]=3 388 B15R2.352 C#CCSc1ccc2ccccc2n1 62a_100000038162_100011291633 [0,1,0,0,0,0|1,1,1]=4 389 B15R2.352 C#CCSc1ccc2cccnc2c1 62a_100000038162_100009816655 [0,1,0,0,0,0|1,1,1]=4 390 B15R2.352 C#CCSc1ccc2ccncc2c1 62a_100000038162_100000686496 [0,1,0,0,0,0|1,1,1]=4 391 B15R2.352 C#CCSc1ccc2cnccc2c1 62a_100000038162_100009816743 [0,1,0,0,0,0|1,1,1]=4 392 B15R2.352 C#CCSc1ccc2ncccc2c1 62a_100000038162_100011215947 [0,1,0,0,0,0|1,1,1]=4 393 B15R2.352 C#CCSc1cnc2ccccc2c1 62a_100000038162_100000737414 [0,1,0,0,0,0|1,1,1]=4 394 B15R2.352 C=CCNc1ccc2ccccc2c1 34a_100000211940_100015514636 [0,1,0,0,0,0|1,0,1]=3 395 B15R2.352 C=CCNc1ccc2ccccc2c1 7a_100000211940_100015514636 [0,1,0,0,0,0|1,0,1]=3 396 B15R2.352 C=CCNc1ccc2ccccc2n1 27a_100020586998_100011291633 [0,1,0,0,0,0|2,0,1]=4 397 B15R2.352 C=CCNc1ccc2cccnc2c1 34a_100102887122_100015514636 [0,1,0,0,0,0|2,0,1]=4 398 B15R2.352 C=CCNc1ccc2cnccc2c1 34a_100000039641_100015514636 [0,1,0,0,0,0|2,0,1]=4 399 B15R2.352 C=CCNc1ccc2ncccc2c1 34a_100011198106_100015514636 [0,1,0,0,0,0|2,0,1]=4 400 B15R2.352 C=CCOc1ccc2ccccc2c1 34a_100000185828_100015514636 [0,1,0,0,0,0|0,0,1]=2 401 B15R2.352 C=CCOc1ccc2ccccc2c1 7a_100000185828_100015514636 [0,1,0,0,0,0|0,0,1]=2 402 B15R2.352 C=CCOc1ccc2cccnc2c1 34a_100011216045_100015514636 [0,1,0,0,0,0|1,0,1]=3 403 B15R2.352 C=CCOc1ccc2ccncc2c1 7a_100000752006_100015514636 [0,1,0,0,0,0|1,0,1]=3 404 B15R2.352 C=CCOc1ccc2cnccc2c1 34a_100000046372_100015514636 [0,1,0,0,0,0|1,0,1]=3 405 B15R2.352 C=CCOc1ccc2cnccc2c1 7a_100000046372_100015514636 [0,1,0,0,0,0|1,0,1]=3 406 B15R2.352 C=CCOc1ccc2ncccc2c1 34a_100011215586_100015514636 [0,1,0,0,0,0|1,0,1]=3 407 B15R2.352 C=CCOc1ccc2ncccc2c1 7a_100011215586_100015514636 [0,1,0,0,0,0|1,0,1]=3 408 B15R2.352 C=CCOc1ccc2nccnc2c1 34a_100000694412_100015514636 [0,1,0,0,0,0|2,0,1]=4 409 B15R2.352 C=CCOc1cnc2ccccc2c1 34a_100011934006_100015514636 [0,1,0,0,0,0|1,0,1]=3 410 B15R2.352 C=CCOc1cnc2ccccc2c1 7a_100011934006_100015514636 [0,1,0,0,0,0|1,0,1]=3 411 B15R2.352 C=CCSc1cc2ccccc2cn1 62a_100000210623_100000047361 [0,1,0,0,0,0|1,1,1]=4 412 B15R2.352 C=CCSc1cc2ccccc2cn1 62a_100009816522_100000210623 [0,1,0,0,0,0|1,1,1]=4 413 B15R2.352 C=CCSc1ccc2ccccc2c1 62a_100000210623_100000233703 [0,1,0,0,0,0|0,1,1]=3 414 B15R2.352 C=CCSc1ccc2ccccc2n1 62a_100000210623_100011291633 [0,1,0,0,0,0|1,1,1]=4 415 B15R2.352 C=CCSc1ccc2ccccc2n1 62a_100011291633_100000210623 [0,1,0,0,0,0|1,1,1]=4 416 B15R2.352 C=CCSc1ccc2cccnc2c1 62a_100000210623_100009816655 [0,1,0,0,0,0|1,1,1]=4 417 B15R2.352 C=CCSc1ccc2ccncc2c1 62a_100000210623_100000686496 [0,1,0,0,0,0|1,1,1]=4 418 B15R2.352 C=CCSc1ccc2ccncc2c1 62a_100000686496_100000210623 [0,1,0,0,0,0|1,1,1]=4 419 B15R2.352 C=CCSc1ccc2cnccc2c1 62a_100000210623_100009816743 [0,1,0,0,0,0|1,1,1]=4 420 B15R2.352 C=CCSc1ccc2cnccc2c1 62a_100009816743_100000210623 [0,1,0,0,0,0|1,1,1]=4 421 B15R2.352 C=CCSc1ccc2ncccc2c1 62a_100000210623_100011215947 [0,1,0,0,0,0|1,1,1]=4 422 B15R2.352 C=CCSc1ccc2ncccc2c1 62a_100011215947_100000210623 [0,1,0,0,0,0|1,1,1]=4 423 B15R2.352 C=CCSc1cnc2ccccc2c1 62a_100000210623_100000737414 [0,1,0,0,0,0|1,1,1]=4 424 B15R2.352 CC=NNc1ccc2ccccc2c1 4a_100016987534_200000210099 [0,1,0,0,0,0|1,0,1]=3 425 B15R2.352 CC=NNc1ccc2ccccc2n1 4a_100000212036_200000210099 [0,1,0,0,0,0|2,0,1]=4 426 B15R2.352 CC=NNc1ccc2cccnc2c1 4a_200016991157_200000210099 [0,1,0,0,0,0|2,0,1]=4 427 B15R2.352 CC=NNc1ccc2ncccc2c1 4a_100025741853_200000210099 [0,1,0,0,0,0|2,0,1]=4 428 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [0,1,0,0,0,0|2,0,0]=3 429 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [0,1,0,0,0,0|1,0,0]=2 430 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [0,1,0,0,0,0|2,0,0]=3 431 B15R2.352 CCCCc1ccc2cccnc2c1 271570a_100020621405_100009816655 [0,1,0,0,0,0|2,0,0]=3 432 B15R2.352 CCCCc1ccc2cccnc2n1 271570a_100020621405_100009888989 [0,1,0,0,0,0|3,0,0]=4 433 B15R2.352 CCCCc1ccc2ccncc2c1 271570a_100020621405_100000686496 [0,1,0,0,0,0|2,0,0]=3 434 B15R2.352 CCCCc1ccc2ccncc2n1 271570a_100020621405_100000020162 [0,1,0,0,0,0|3,0,0]=4 435 B15R2.352 CCCCc1ccc2cnccc2c1 271570a_100020621405_100009816743 [0,1,0,0,0,0|2,0,0]=3 436 B15R2.352 CCCCc1ccc2cncnc2c1 271570a_100020621405_100010185614 [0,1,0,0,0,0|3,0,0]=4 437 B15R2.352 CCCCc1ccc2cnncc2c1 271570a_100020621405_100010198781 [0,1,0,0,0,0|3,0,0]=4 438 B15R2.352 CCCCc1ccc2ncccc2c1 271570a_100020621405_100000754243 [0,1,0,0,0,0|2,0,0]=3 439 B15R2.352 CCCCc1ccc2ncccc2n1 271570a_100020621405_100000073381 [0,1,0,0,0,0|3,0,0]=4 440 B15R2.352 CCCCc1ccc2nccnc2c1 271570a_100020621405_100011219451 [0,1,0,0,0,0|3,0,0]=4 441 B15R2.352 CCCCc1ccc2ncncc2c1 271570a_100020621405_100009989443 [0,1,0,0,0,0|3,0,0]=4 442 B15R2.352 CCCCc1ccc2nnccc2c1 271570a_100020621405_100010209549 [0,1,0,0,0,0|3,0,0]=4 443 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [0,1,0,0,0,0|2,0,0]=3 444 B15R2.352 CCCCc1cnc2ccccc2n1 271570a_100020621405_100000756483 [0,1,0,0,0,0|3,0,0]=4 445 B15R2.352 CCCCc1cnc2cccnc2c1 271570a_100020621405_100010246316 [0,1,0,0,0,0|3,0,0]=4 446 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [0,1,0,0,0,0|3,0,0]=4 447 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [0,1,0,0,0,0|1,0,0]=2 448 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [0,1,0,0,0,0|1,0,0]=2 449 B15R2.352 CCCNc1ccc2cccnc2c1 34a_100102887122_100000210303 [0,1,0,0,0,0|2,0,0]=3 450 B15R2.352 CCCNc1ccc2cnccc2c1 34a_100000039641_100000210303 [0,1,0,0,0,0|2,0,0]=3 451 B15R2.352 CCCNc1ccc2ncccc2c1 34a_100011198106_100000210303 [0,1,0,0,0,0|2,0,0]=3 452 B15R2.352 CCCNc1ccc2nccnc2c1 34a_100011219565_100000210303 [0,1,0,0,0,0|3,0,0]=4 453 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [0,1,0,0,0,0|0,0,0]=1 454 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [0,1,0,0,0,0|0,0,0]=1 455 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [0,1,0,0,0,0|1,0,0]=2 456 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [0,1,0,0,0,0|1,0,0]=2 457 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [0,1,0,0,0,0|1,0,0]=2 458 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [0,1,0,0,0,0|1,0,0]=2 459 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [0,1,0,0,0,0|1,0,0]=2 460 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [0,1,0,0,0,0|1,0,0]=2 461 B15R2.352 CCCOc1ccc2nccnc2c1 34a_100000694412_100000210303 [0,1,0,0,0,0|2,0,0]=3 462 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [0,1,0,0,0,0|1,0,0]=2 463 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [0,1,0,0,0,0|1,0,0]=2 464 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100000210303_100000047361 [0,1,0,0,0,0|1,1,0]=3 465 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100009816522_100000210303 [0,1,0,0,0,0|1,1,0]=3 466 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [0,1,0,0,0,0|0,1,0]=2 467 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [0,1,0,0,0,0|1,1,0]=3 468 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [0,1,0,0,0,0|1,1,0]=3 469 B15R2.352 CCCSc1ccc2cccnc2c1 62a_100000210303_100009816655 [0,1,0,0,0,0|1,1,0]=3 470 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000075685_100000210303 [0,1,0,0,0,0|2,1,0]=4 471 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000210303_100000075685 [0,1,0,0,0,0|2,1,0]=4 472 B15R2.352 CCCSc1ccc2ccncc2c1 62a_100000210303_100000686496 [0,1,0,0,0,0|1,1,0]=3 473 B15R2.352 CCCSc1ccc2ccncc2c1 62a_100000686496_100000210303 [0,1,0,0,0,0|1,1,0]=3 474 B15R2.352 CCCSc1ccc2ccncc2n1 62a_100000210303_100000020162 [0,1,0,0,0,0|2,1,0]=4 475 B15R2.352 CCCSc1ccc2cnccc2c1 62a_100000210303_100009816743 [0,1,0,0,0,0|1,1,0]=3 476 B15R2.352 CCCSc1ccc2cnccc2c1 62a_100009816743_100000210303 [0,1,0,0,0,0|1,1,0]=3 477 B15R2.352 CCCSc1ccc2cncnc2c1 62a_100000210303_100010185614 [0,1,0,0,0,0|2,1,0]=4 478 B15R2.352 CCCSc1ccc2cncnc2c1 62a_100010185614_100000210303 [0,1,0,0,0,0|2,1,0]=4 479 B15R2.352 CCCSc1ccc2cnncc2c1 62a_100000210303_100010198781 [0,1,0,0,0,0|2,1,0]=4 480 B15R2.352 CCCSc1ccc2cnncc2c1 62a_100010198781_100000210303 [0,1,0,0,0,0|2,1,0]=4 481 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100000210303_100011215947 [0,1,0,0,0,0|1,1,0]=3 482 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100011215947_100000210303 [0,1,0,0,0,0|1,1,0]=3 483 B15R2.352 CCCSc1ccc2ncccc2n1 62a_100000210303_100000073381 [0,1,0,0,0,0|2,1,0]=4 484 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100000210303_100011219451 [0,1,0,0,0,0|2,1,0]=4 485 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100011219451_100000210303 [0,1,0,0,0,0|2,1,0]=4 486 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100000210303_100009989443 [0,1,0,0,0,0|2,1,0]=4 487 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100009989443_100000210303 [0,1,0,0,0,0|2,1,0]=4 488 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100000210303_100010209549 [0,1,0,0,0,0|2,1,0]=4 489 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100010209549_100000210303 [0,1,0,0,0,0|2,1,0]=4 490 B15R2.352 CCCSc1cnc2ccccc2c1 62a_100000210303_100000737414 [0,1,0,0,0,0|1,1,0]=3 491 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000210303_100000756483 [0,1,0,0,0,0|2,1,0]=4 492 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000756483_100000210303 [0,1,0,0,0,0|2,1,0]=4 493 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100000210303_100010246316 [0,1,0,0,0,0|2,1,0]=4 494 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100010246316_100000210303 [0,1,0,0,0,0|2,1,0]=4 495 B15R2.352 CCCSc1ncc2ccccc2n1 62a_100000210303_100000097389 [0,1,0,0,0,0|2,1,0]=4 496 B15R2.352 CCNCC1=Cc2ccccc2OC1 270004a_100015525214_100000013085 [0,1,0,0,0,0|2,0,1]=4 497 B15R2.352 CCNCc1cc2ccccc2cn1 207a_100015525214_100000059776 [0,1,0,0,0,0|2,0,0]=3 498 B15R2.352 CCNCc1cc2ccccc2cn1 2230a_100015525214_100009869231 [0,1,0,0,0,0|2,0,0]=3 499 B15R2.352 CCNCc1cc2ccccc2cn1 270004a_100015525214_100000059776 [0,1,0,0,0,0|2,0,0]=3 500 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [0,1,0,0,0,0|1,0,0]=2 501 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [0,1,0,0,0,0|1,0,0]=2 502 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [0,1,0,0,0,0|1,0,0]=2 503 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [0,1,0,0,0,0|1,0,0]=2 504 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [0,1,0,0,0,0|1,0,0]=2 505 B15R2.352 CCNCc1ccc2ccccc2n1 207a_100015525214_100000759686 [0,1,0,0,0,0|2,0,0]=3 506 B15R2.352 CCNCc1ccc2ccccc2n1 2230a_100015525214_100000737579 [0,1,0,0,0,0|2,0,0]=3 507 B15R2.352 CCNCc1ccc2ccccc2n1 270004a_100015525214_100000759686 [0,1,0,0,0,0|2,0,0]=3 508 B15R2.352 CCNCc1ccc2cccnc2c1 207a_100015525214_100011784159 [0,1,0,0,0,0|2,0,0]=3 509 B15R2.352 CCNCc1ccc2cccnc2c1 270004a_100015525214_100011784159 [0,1,0,0,0,0|2,0,0]=3 510 B15R2.352 CCNCc1ccc2cnccc2c1 207a_100015525214_100000068276 [0,1,0,0,0,0|2,0,0]=3 511 B15R2.352 CCNCc1ccc2cnccc2c1 2230a_100015525214_100020605334 [0,1,0,0,0,0|2,0,0]=3 512 B15R2.352 CCNCc1ccc2cnccc2c1 270004a_100015525214_100000068276 [0,1,0,0,0,0|2,0,0]=3 513 B15R2.352 CCNCc1ccc2ncccc2c1 207a_100015525214_100000211315 [0,1,0,0,0,0|2,0,0]=3 514 B15R2.352 CCNCc1ccc2ncccc2c1 2230a_100015525214_100000703657 [0,1,0,0,0,0|2,0,0]=3 515 B15R2.352 CCNCc1ccc2ncccc2c1 270004a_100015525214_100000211315 [0,1,0,0,0,0|2,0,0]=3 516 B15R2.352 CCNCc1ccc2ncccc2c1 34a_100000238500_100000210202 [0,1,0,0,0,0|2,0,0]=3 517 B15R2.352 CCNCc1ccc2nccnc2c1 2230a_100015525214_200011762199 [0,1,0,0,0,0|3,0,0]=4 518 B15R2.352 CCNCc1ccc2nccnc2c1 270004a_100015525214_100000239887 [0,1,0,0,0,0|3,0,0]=4 519 B15R2.352 CCNCc1cnc2ccccc2c1 207a_100015525214_100000750898 [0,1,0,0,0,0|2,0,0]=3 520 B15R2.352 CCNCc1cnc2ccccc2c1 270004a_100015525214_100000750898 [0,1,0,0,0,0|2,0,0]=3 521 B15R2.352 CCNCc1cnc2ccccc2c1 34a_100000742225_100000210202 [0,1,0,0,0,0|2,0,0]=3 522 B15R2.352 CCNCc1cnc2ccccc2n1 270004a_100015525214_100000204677 [0,1,0,0,0,0|3,0,0]=4 523 B15R2.352 CCOCc1cc2ccccc2cn1 34a_100121572206_100009869231 [0,1,0,0,0,0|1,0,0]=2 524 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [0,1,0,0,0,0|0,0,0]=1 525 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [0,1,0,0,0,0|0,0,0]=1 526 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [0,1,0,0,0,0|0,0,0]=1 527 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [0,1,0,0,0,0|1,0,0]=2 528 B15R2.352 CCOCc1ccc2cnccc2c1 34a_100121572206_100020605334 [0,1,0,0,0,0|1,0,0]=2 529 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100011315636_100000210202 [0,1,0,0,0,0|1,0,0]=2 530 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100121572206_100000703657 [0,1,0,0,0,0|1,0,0]=2 531 B15R2.352 CCOCc1cnc2ccccc2c1 34a_100011258773_100000210202 [0,1,0,0,0,0|1,0,0]=2 532 B15R2.352 CCOCc1ncc2ccccc2n1 34a_100121572206_100009868571 [0,1,0,0,0,0|2,0,0]=3 533 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100000210202_100009869231 [0,1,0,0,0,0|1,1,0]=3 534 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100009869231_100000210202 [0,1,0,0,0,0|1,1,0]=3 535 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [0,1,0,0,0,0|0,1,0]=2 536 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [0,1,0,0,0,0|0,1,0]=2 537 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000210202_100000737579 [0,1,0,0,0,0|1,1,0]=3 538 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000737579_100000210202 [0,1,0,0,0,0|1,1,0]=3 539 B15R2.352 CCSCc1ccc2cnccc2c1 62a_100000210202_100020605334 [0,1,0,0,0,0|1,1,0]=3 540 B15R2.352 CCSCc1ccc2cnccc2c1 62a_100020605334_100000210202 [0,1,0,0,0,0|1,1,0]=3 541 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000210202_100000703657 [0,1,0,0,0,0|1,1,0]=3 542 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000703657_100000210202 [0,1,0,0,0,0|1,1,0]=3 543 B15R2.352 CCSCc1ccc2nccnc2c1 62a_100000210202_200011762199 [0,1,0,0,0,0|2,1,0]=4 544 B15R2.352 CCSCc1ccc2nccnc2c1 62a_200011762199_100000210202 [0,1,0,0,0,0|2,1,0]=4 545 B15R2.352 CCSCc1cnc2ccccc2n1 62a_100000210202_200000751123 [0,1,0,0,0,0|2,1,0]=4 546 B15R2.352 CCSCc1cnc2ccccc2n1 62a_200000751123_100000210202 [0,1,0,0,0,0|2,1,0]=4 547 B15R2.352 CCSCc1ncc2ccccc2n1 62a_100000210202_100009868571 [0,1,0,0,0,0|2,1,0]=4 548 B15R2.352 CCSCc1ncc2ccccc2n1 62a_100009868571_100000210202 [0,1,0,0,0,0|2,1,0]=4 549 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [0,1,0,0,0,0|1,0,0]=2 550 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [0,1,0,0,0,0|1,0,0]=2 551 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [0,1,0,0,0,0|1,0,0]=2 552 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [0,1,0,0,0,0|1,0,0]=2 553 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [0,1,0,0,0,0|2,0,0]=3 554 B15R2.352 COCSc1cc2ccccc2cn1 62a_100000766300_100000047361 [0,1,0,0,0,0|1,1,0]=3 555 B15R2.352 COCSc1cc2ccccc2cn1 62a_100009816522_100000766300 [0,1,0,0,0,0|1,1,0]=3 556 B15R2.352 COCSc1ccc2ccccc2c1 62a_100000766300_100000233703 [0,1,0,0,0,0|0,1,0]=2 557 B15R2.352 COCSc1ccc2ccccc2n1 62a_100000766300_100011291633 [0,1,0,0,0,0|1,1,0]=3 558 B15R2.352 COCSc1ccc2ccccc2n1 62a_100011291633_100000766300 [0,1,0,0,0,0|1,1,0]=3 559 B15R2.352 COCSc1ccc2cccnc2c1 62a_100000766300_100009816655 [0,1,0,0,0,0|1,1,0]=3 560 B15R2.352 COCSc1ccc2cccnc2n1 62a_100000075685_100000766300 [0,1,0,0,0,0|2,1,0]=4 561 B15R2.352 COCSc1ccc2cccnc2n1 62a_100000766300_100000075685 [0,1,0,0,0,0|2,1,0]=4 562 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000686496_100000766300 [0,1,0,0,0,0|1,1,0]=3 563 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000766300_100000686496 [0,1,0,0,0,0|1,1,0]=3 564 B15R2.352 COCSc1ccc2ccncc2n1 62a_100000766300_100000020162 [0,1,0,0,0,0|2,1,0]=4 565 B15R2.352 COCSc1ccc2cnccc2c1 62a_100000766300_100009816743 [0,1,0,0,0,0|1,1,0]=3 566 B15R2.352 COCSc1ccc2cnccc2c1 62a_100009816743_100000766300 [0,1,0,0,0,0|1,1,0]=3 567 B15R2.352 COCSc1ccc2cncnc2c1 62a_100000766300_100010185614 [0,1,0,0,0,0|2,1,0]=4 568 B15R2.352 COCSc1ccc2cncnc2c1 62a_100010185614_100000766300 [0,1,0,0,0,0|2,1,0]=4 569 B15R2.352 COCSc1ccc2cnncc2c1 62a_100000766300_100010198781 [0,1,0,0,0,0|2,1,0]=4 570 B15R2.352 COCSc1ccc2cnncc2c1 62a_100010198781_100000766300 [0,1,0,0,0,0|2,1,0]=4 571 B15R2.352 COCSc1ccc2ncccc2c1 62a_100000766300_100011215947 [0,1,0,0,0,0|1,1,0]=3 572 B15R2.352 COCSc1ccc2ncccc2c1 62a_100011215947_100000766300 [0,1,0,0,0,0|1,1,0]=3 573 B15R2.352 COCSc1ccc2ncccc2n1 62a_100000766300_100000073381 [0,1,0,0,0,0|2,1,0]=4 574 B15R2.352 COCSc1ccc2nccnc2c1 62a_100000766300_100011219451 [0,1,0,0,0,0|2,1,0]=4 575 B15R2.352 COCSc1ccc2nccnc2c1 62a_100011219451_100000766300 [0,1,0,0,0,0|2,1,0]=4 576 B15R2.352 COCSc1ccc2ncncc2c1 62a_100000766300_100009989443 [0,1,0,0,0,0|2,1,0]=4 577 B15R2.352 COCSc1ccc2ncncc2c1 62a_100009989443_100000766300 [0,1,0,0,0,0|2,1,0]=4 578 B15R2.352 COCSc1ccc2nnccc2c1 62a_100000766300_100010209549 [0,1,0,0,0,0|2,1,0]=4 579 B15R2.352 COCSc1ccc2nnccc2c1 62a_100010209549_100000766300 [0,1,0,0,0,0|2,1,0]=4 580 B15R2.352 COCSc1cnc2ccccc2c1 62a_100000766300_100000737414 [0,1,0,0,0,0|1,1,0]=3 581 B15R2.352 COCSc1cnc2ccccc2n1 62a_100000756483_100000766300 [0,1,0,0,0,0|2,1,0]=4 582 B15R2.352 COCSc1cnc2ccccc2n1 62a_100000766300_100000756483 [0,1,0,0,0,0|2,1,0]=4 583 B15R2.352 COCSc1cnc2cccnc2c1 62a_100000766300_100010246316 [0,1,0,0,0,0|2,1,0]=4 584 B15R2.352 COCSc1cnc2cccnc2c1 62a_100010246316_100000766300 [0,1,0,0,0,0|2,1,0]=4 585 B15R2.352 COCSc1ncc2ccccc2n1 62a_100000766300_100000097389 [0,1,0,0,0,0|2,1,0]=4 586 B15R2.352 CSCNc1ccc2ccccc2c1 34a_100000211940_100011218213 [0,1,0,0,0,0|1,0,0]=2 587 B15R2.352 CSCNc1ccc2cccnc2c1 34a_100102887122_100011218213 [0,1,0,0,0,0|2,0,0]=3 588 B15R2.352 CSCNc1ccc2cnccc2c1 34a_100000039641_100011218213 [0,1,0,0,0,0|2,0,0]=3 589 B15R2.352 CSCNc1ccc2ncccc2c1 34a_100011198106_100011218213 [0,1,0,0,0,0|2,0,0]=3 590 B15R2.352 CSCNc1ccc2nccnc2c1 34a_100011219565_100011218213 [0,1,0,0,0,0|3,0,0]=4 591 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [0,1,0,0,0,0|0,0,0]=1 592 B15R2.352 CSCOc1ccc2cccnc2c1 34a_100011216045_100011218213 [0,1,0,0,0,0|1,0,0]=2 593 B15R2.352 CSCOc1ccc2cnccc2c1 34a_100000046372_100011218213 [0,1,0,0,0,0|1,0,0]=2 594 B15R2.352 CSCOc1ccc2ncccc2c1 34a_100011215586_100011218213 [0,1,0,0,0,0|1,0,0]=2 595 B15R2.352 CSCOc1ccc2nccnc2c1 34a_100000694412_100011218213 [0,1,0,0,0,0|2,0,0]=3 596 B15R2.352 CSCOc1cnc2ccccc2c1 34a_100011934006_100011218213 [0,1,0,0,0,0|1,0,0]=2 597 B15R2.352 CSCSc1cc2ccccc2cn1 62a_100009816522_100011218213 [0,1,0,0,0,0|1,1,0]=3 598 B15R2.352 CSCSc1cc2ccccc2cn1 62a_100011218213_100000047361 [0,1,0,0,0,0|1,1,0]=3 599 B15R2.352 CSCSc1ccc2ccccc2c1 62a_100011218213_100000233703 [0,1,0,0,0,0|0,1,0]=2 600 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011218213_100011291633 [0,1,0,0,0,0|1,1,0]=3 601 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011291633_100011218213 [0,1,0,0,0,0|1,1,0]=3 602 B15R2.352 CSCSc1ccc2cccnc2c1 62a_100011218213_100009816655 [0,1,0,0,0,0|1,1,0]=3 603 B15R2.352 CSCSc1ccc2cccnc2n1 62a_100000075685_100011218213 [0,1,0,0,0,0|2,1,0]=4 604 B15R2.352 CSCSc1ccc2cccnc2n1 62a_100011218213_100000075685 [0,1,0,0,0,0|2,1,0]=4 605 B15R2.352 CSCSc1ccc2ccncc2c1 62a_100000686496_100011218213 [0,1,0,0,0,0|1,1,0]=3 606 B15R2.352 CSCSc1ccc2ccncc2c1 62a_100011218213_100000686496 [0,1,0,0,0,0|1,1,0]=3 607 B15R2.352 CSCSc1ccc2ccncc2n1 62a_100011218213_100000020162 [0,1,0,0,0,0|2,1,0]=4 608 B15R2.352 CSCSc1ccc2cnccc2c1 62a_100009816743_100011218213 [0,1,0,0,0,0|1,1,0]=3 609 B15R2.352 CSCSc1ccc2cnccc2c1 62a_100011218213_100009816743 [0,1,0,0,0,0|1,1,0]=3 610 B15R2.352 CSCSc1ccc2cncnc2c1 62a_100010185614_100011218213 [0,1,0,0,0,0|2,1,0]=4 611 B15R2.352 CSCSc1ccc2cncnc2c1 62a_100011218213_100010185614 [0,1,0,0,0,0|2,1,0]=4 612 B15R2.352 CSCSc1ccc2cnncc2c1 62a_100010198781_100011218213 [0,1,0,0,0,0|2,1,0]=4 613 B15R2.352 CSCSc1ccc2cnncc2c1 62a_100011218213_100010198781 [0,1,0,0,0,0|2,1,0]=4 614 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011215947_100011218213 [0,1,0,0,0,0|1,1,0]=3 615 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011218213_100011215947 [0,1,0,0,0,0|1,1,0]=3 616 B15R2.352 CSCSc1ccc2ncccc2n1 62a_100011218213_100000073381 [0,1,0,0,0,0|2,1,0]=4 617 B15R2.352 CSCSc1ccc2nccnc2c1 62a_100011218213_100011219451 [0,1,0,0,0,0|2,1,0]=4 618 B15R2.352 CSCSc1ccc2nccnc2c1 62a_100011219451_100011218213 [0,1,0,0,0,0|2,1,0]=4 619 B15R2.352 CSCSc1ccc2ncncc2c1 62a_100009989443_100011218213 [0,1,0,0,0,0|2,1,0]=4 620 B15R2.352 CSCSc1ccc2ncncc2c1 62a_100011218213_100009989443 [0,1,0,0,0,0|2,1,0]=4 621 B15R2.352 CSCSc1ccc2nnccc2c1 62a_100010209549_100011218213 [0,1,0,0,0,0|2,1,0]=4 622 B15R2.352 CSCSc1ccc2nnccc2c1 62a_100011218213_100010209549 [0,1,0,0,0,0|2,1,0]=4 623 B15R2.352 CSCSc1cnc2ccccc2c1 62a_100011218213_100000737414 [0,1,0,0,0,0|1,1,0]=3 624 B15R2.352 CSCSc1cnc2ccccc2n1 62a_100000756483_100011218213 [0,1,0,0,0,0|2,1,0]=4 625 B15R2.352 CSCSc1cnc2ccccc2n1 62a_100011218213_100000756483 [0,1,0,0,0,0|2,1,0]=4 626 B15R2.352 CSCSc1cnc2cccnc2c1 62a_100010246316_100011218213 [0,1,0,0,0,0|2,1,0]=4 627 B15R2.352 CSCSc1cnc2cccnc2c1 62a_100011218213_100010246316 [0,1,0,0,0,0|2,1,0]=4 628 B15R2.352 CSCSc1ncc2ccccc2n1 62a_100011218213_100000097389 [0,1,0,0,0,0|2,1,0]=4 629 B15R2.352 FCCNc1ccc2ccccc2c1 34a_100000211940_100011217306 [0,1,0,0,0,0|1,0,0]=2 630 B15R2.352 FCCNc1ccc2ccccc2c1 7a_100000211940_100011217306 [0,1,0,0,0,0|1,0,0]=2 631 B15R2.352 FCCNc1ccc2cccnc2c1 34a_100102887122_100011217306 [0,1,0,0,0,0|2,0,0]=3 632 B15R2.352 FCCNc1ccc2cnccc2c1 34a_100000039641_100011217306 [0,1,0,0,0,0|2,0,0]=3 633 B15R2.352 FCCNc1ccc2ncccc2c1 34a_100011198106_100011217306 [0,1,0,0,0,0|2,0,0]=3 634 B15R2.352 FCCNc1ccc2nccnc2c1 34a_100011219565_100011217306 [0,1,0,0,0,0|3,0,0]=4 635 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [0,1,0,0,0,0|0,0,0]=1 636 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [0,1,0,0,0,0|0,0,0]=1 637 B15R2.352 FCCOc1ccc2cccnc2c1 34a_100011216045_100011217306 [0,1,0,0,0,0|1,0,0]=2 638 B15R2.352 FCCOc1ccc2ccncc2c1 7a_100000752006_100011217306 [0,1,0,0,0,0|1,0,0]=2 639 B15R2.352 FCCOc1ccc2cnccc2c1 34a_100000046372_100011217306 [0,1,0,0,0,0|1,0,0]=2 640 B15R2.352 FCCOc1ccc2cnccc2c1 7a_100000046372_100011217306 [0,1,0,0,0,0|1,0,0]=2 641 B15R2.352 FCCOc1ccc2ncccc2c1 34a_100011215586_100011217306 [0,1,0,0,0,0|1,0,0]=2 642 B15R2.352 FCCOc1ccc2ncccc2c1 7a_100011215586_100011217306 [0,1,0,0,0,0|1,0,0]=2 643 B15R2.352 FCCOc1ccc2nccnc2c1 34a_100000694412_100011217306 [0,1,0,0,0,0|2,0,0]=3 644 B15R2.352 FCCOc1cnc2ccccc2c1 34a_100011934006_100011217306 [0,1,0,0,0,0|1,0,0]=2 645 B15R2.352 FCCOc1cnc2ccccc2c1 7a_100011934006_100011217306 [0,1,0,0,0,0|1,0,0]=2 646 B15R2.352 FCCSc1cc2ccccc2cn1 62a_100009816522_100011217306 [0,1,0,0,0,0|1,1,0]=3 647 B15R2.352 FCCSc1cc2ccccc2cn1 62a_100011217306_100000047361 [0,1,0,0,0,0|1,1,0]=3 648 B15R2.352 FCCSc1ccc2ccccc2c1 62a_100011217306_100000233703 [0,1,0,0,0,0|0,1,0]=2 649 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011217306_100011291633 [0,1,0,0,0,0|1,1,0]=3 650 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011291633_100011217306 [0,1,0,0,0,0|1,1,0]=3 651 B15R2.352 FCCSc1ccc2cccnc2c1 62a_100011217306_100009816655 [0,1,0,0,0,0|1,1,0]=3 652 B15R2.352 FCCSc1ccc2cccnc2n1 62a_100000075685_100011217306 [0,1,0,0,0,0|2,1,0]=4 653 B15R2.352 FCCSc1ccc2cccnc2n1 62a_100011217306_100000075685 [0,1,0,0,0,0|2,1,0]=4 654 B15R2.352 FCCSc1ccc2ccncc2c1 62a_100000686496_100011217306 [0,1,0,0,0,0|1,1,0]=3 655 B15R2.352 FCCSc1ccc2ccncc2c1 62a_100011217306_100000686496 [0,1,0,0,0,0|1,1,0]=3 656 B15R2.352 FCCSc1ccc2ccncc2n1 62a_100011217306_100000020162 [0,1,0,0,0,0|2,1,0]=4 657 B15R2.352 FCCSc1ccc2cnccc2c1 62a_100009816743_100011217306 [0,1,0,0,0,0|1,1,0]=3 658 B15R2.352 FCCSc1ccc2cnccc2c1 62a_100011217306_100009816743 [0,1,0,0,0,0|1,1,0]=3 659 B15R2.352 FCCSc1ccc2cncnc2c1 62a_100010185614_100011217306 [0,1,0,0,0,0|2,1,0]=4 660 B15R2.352 FCCSc1ccc2cncnc2c1 62a_100011217306_100010185614 [0,1,0,0,0,0|2,1,0]=4 661 B15R2.352 FCCSc1ccc2cnncc2c1 62a_100010198781_100011217306 [0,1,0,0,0,0|2,1,0]=4 662 B15R2.352 FCCSc1ccc2cnncc2c1 62a_100011217306_100010198781 [0,1,0,0,0,0|2,1,0]=4 663 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011215947_100011217306 [0,1,0,0,0,0|1,1,0]=3 664 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011217306_100011215947 [0,1,0,0,0,0|1,1,0]=3 665 B15R2.352 FCCSc1ccc2ncccc2n1 62a_100011217306_100000073381 [0,1,0,0,0,0|2,1,0]=4 666 B15R2.352 FCCSc1ccc2nccnc2c1 62a_100011217306_100011219451 [0,1,0,0,0,0|2,1,0]=4 667 B15R2.352 FCCSc1ccc2nccnc2c1 62a_100011219451_100011217306 [0,1,0,0,0,0|2,1,0]=4 668 B15R2.352 FCCSc1ccc2ncncc2c1 62a_100009989443_100011217306 [0,1,0,0,0,0|2,1,0]=4 669 B15R2.352 FCCSc1ccc2ncncc2c1 62a_100011217306_100009989443 [0,1,0,0,0,0|2,1,0]=4 670 B15R2.352 FCCSc1ccc2nnccc2c1 62a_100010209549_100011217306 [0,1,0,0,0,0|2,1,0]=4 671 B15R2.352 FCCSc1ccc2nnccc2c1 62a_100011217306_100010209549 [0,1,0,0,0,0|2,1,0]=4 672 B15R2.352 FCCSc1cnc2ccccc2c1 62a_100011217306_100000737414 [0,1,0,0,0,0|1,1,0]=3 673 B15R2.352 FCCSc1cnc2ccccc2n1 62a_100000756483_100011217306 [0,1,0,0,0,0|2,1,0]=4 674 B15R2.352 FCCSc1cnc2ccccc2n1 62a_100011217306_100000756483 [0,1,0,0,0,0|2,1,0]=4 675 B15R2.352 FCCSc1cnc2cccnc2c1 62a_100010246316_100011217306 [0,1,0,0,0,0|2,1,0]=4 676 B15R2.352 FCCSc1cnc2cccnc2c1 62a_100011217306_100010246316 [0,1,0,0,0,0|2,1,0]=4 677 B15R2.352 FCCSc1ncc2ccccc2n1 62a_100011217306_100000097389 [0,1,0,0,0,0|2,1,0]=4 678 B15R2.352 FCNCc1ccc2ccccc2c1 34a_100000739491_100015361967 [0,1,0,0,0,0|2,0,0]=3 679 B15R2.352 FCNCc1ccc2ncccc2c1 34a_100000238500_100015361967 [0,1,0,0,0,0|3,0,0]=4 680 B15R2.352 FCNCc1cnc2ccccc2c1 34a_100000742225_100015361967 [0,1,0,0,0,0|3,0,0]=4 681 B15R2.352 FCOCc1ccc2ccccc2c1 34a_100011215330_100015361967 [0,1,0,0,0,0|1,0,0]=2 682 B15R2.352 FCOCc1ccc2ccccc2c1 7a_100011215330_100015361967 [0,1,0,0,0,0|1,0,0]=2 683 B15R2.352 FCOCc1ccc2ncccc2c1 34a_100011315636_100015361967 [0,1,0,0,0,0|2,0,0]=3 684 B15R2.352 FCOCc1cnc2ccccc2c1 34a_100011258773_100015361967 [0,1,0,0,0,0|2,0,0]=3 685 B15R2.352 FCSCc1cc2ccccc2cn1 62a_100009869231_100015361967 [0,1,0,0,0,0|2,1,0]=4 686 B15R2.352 FCSCc1cc2ccccc2cn1 62a_100015361967_100009869231 [0,1,0,0,0,0|2,1,0]=4 687 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100011216711_100015361967 [0,1,0,0,0,0|1,1,0]=3 688 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100015361967_100011216711 [0,1,0,0,0,0|1,1,0]=3 689 B15R2.352 FCSCc1ccc2ccccc2n1 62a_100000737579_100015361967 [0,1,0,0,0,0|2,1,0]=4 690 B15R2.352 FCSCc1ccc2ccccc2n1 62a_100015361967_100000737579 [0,1,0,0,0,0|2,1,0]=4 691 B15R2.352 FCSCc1ccc2cnccc2c1 62a_100015361967_100020605334 [0,1,0,0,0,0|2,1,0]=4 692 B15R2.352 FCSCc1ccc2cnccc2c1 62a_100020605334_100015361967 [0,1,0,0,0,0|2,1,0]=4 693 B15R2.352 FCSCc1ccc2ncccc2c1 62a_100000703657_100015361967 [0,1,0,0,0,0|2,1,0]=4 694 B15R2.352 FCSCc1ccc2ncccc2c1 62a_100015361967_100000703657 [0,1,0,0,0,0|2,1,0]=4 695 B15R2.352 N#CCNc1ccc2ccccc2c1 7a_100000211940_100011215382 [0,1,0,0,0,0|1,0,1]=3 696 B15R2.352 N#CCOc1ccc2ccccc2c1 7a_100000185828_100011215382 [0,1,0,0,0,0|0,0,1]=2 697 B15R2.352 N#CCOc1ccc2ccncc2c1 7a_100000752006_100011215382 [0,1,0,0,0,0|1,0,1]=3 698 B15R2.352 N#CCOc1ccc2cnccc2c1 7a_100000046372_100011215382 [0,1,0,0,0,0|1,0,1]=3 699 B15R2.352 N#CCOc1ccc2ncccc2c1 7a_100011215586_100011215382 [0,1,0,0,0,0|1,0,1]=3 700 B15R2.352 N#CCOc1cnc2ccccc2c1 7a_100011934006_100011215382 [0,1,0,0,0,0|1,0,1]=3 701 B15R2.352 N#CCSc1cc2ccccc2cn1 62a_100009816522_100011215382 [0,1,0,0,0,0|1,1,1]=4 702 B15R2.352 N#CCSc1cc2ccccc2cn1 62a_100011215382_100000047361 [0,1,0,0,0,0|1,1,1]=4 703 B15R2.352 N#CCSc1ccc2ccccc2c1 62a_100011215382_100000233703 [0,1,0,0,0,0|0,1,1]=3 704 B15R2.352 N#CCSc1ccc2ccccc2n1 62a_100011215382_100011291633 [0,1,0,0,0,0|1,1,1]=4 705 B15R2.352 N#CCSc1ccc2ccccc2n1 62a_100011291633_100011215382 [0,1,0,0,0,0|1,1,1]=4 706 B15R2.352 N#CCSc1ccc2cccnc2c1 62a_100011215382_100009816655 [0,1,0,0,0,0|1,1,1]=4 707 B15R2.352 N#CCSc1ccc2ccncc2c1 62a_100000686496_100011215382 [0,1,0,0,0,0|1,1,1]=4 708 B15R2.352 N#CCSc1ccc2ccncc2c1 62a_100011215382_100000686496 [0,1,0,0,0,0|1,1,1]=4 709 B15R2.352 N#CCSc1ccc2cnccc2c1 62a_100009816743_100011215382 [0,1,0,0,0,0|1,1,1]=4 710 B15R2.352 N#CCSc1ccc2cnccc2c1 62a_100011215382_100009816743 [0,1,0,0,0,0|1,1,1]=4 711 B15R2.352 N#CCSc1ccc2ncccc2c1 62a_100011215382_100011215947 [0,1,0,0,0,0|1,1,1]=4 712 B15R2.352 N#CCSc1ccc2ncccc2c1 62a_100011215947_100011215382 [0,1,0,0,0,0|1,1,1]=4 713 B15R2.352 N#CCSc1cnc2ccccc2c1 62a_100011215382_100000737414 [0,1,0,0,0,0|1,1,1]=4 714 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [0,1,0,0,0,0|1,0,1]=3 715 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [0,1,0,0,0,0|1,0,1]=3 716 B15R2.352 O=CCNc1ccc2cccnc2c1 34a_100102887122_200009817547 [0,1,0,0,0,0|2,0,1]=4 717 B15R2.352 O=CCNc1ccc2cnccc2c1 34a_100000039641_200009817547 [0,1,0,0,0,0|2,0,1]=4 718 B15R2.352 O=CCNc1ccc2ncccc2c1 34a_100011198106_200009817547 [0,1,0,0,0,0|2,0,1]=4 719 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [0,1,0,0,0,0|0,0,1]=2 720 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [0,1,0,0,0,0|0,0,1]=2 721 B15R2.352 O=CCOc1ccc2cccnc2c1 34a_100011216045_200009817547 [0,1,0,0,0,0|1,0,1]=3 722 B15R2.352 O=CCOc1ccc2ccncc2c1 7a_100000752006_200015260668 [0,1,0,0,0,0|1,0,1]=3 723 B15R2.352 O=CCOc1ccc2cnccc2c1 34a_100000046372_200009817547 [0,1,0,0,0,0|1,0,1]=3 724 B15R2.352 O=CCOc1ccc2cnccc2c1 7a_100000046372_200015260668 [0,1,0,0,0,0|1,0,1]=3 725 B15R2.352 O=CCOc1ccc2ncccc2c1 34a_100011215586_200009817547 [0,1,0,0,0,0|1,0,1]=3 726 B15R2.352 O=CCOc1ccc2ncccc2c1 7a_100011215586_200015260668 [0,1,0,0,0,0|1,0,1]=3 727 B15R2.352 O=CCOc1ccc2nccnc2c1 34a_100000694412_200009817547 [0,1,0,0,0,0|2,0,1]=4 728 B15R2.352 O=CCOc1cnc2ccccc2c1 34a_100011934006_200009817547 [0,1,0,0,0,0|1,0,1]=3 729 B15R2.352 O=CCOc1cnc2ccccc2c1 7a_100011934006_200015260668 [0,1,0,0,0,0|1,0,1]=3 730 B15R2.352 O=CCSc1cc2ccccc2cn1 62a_100009816522_200015260668 [0,1,0,0,0,0|1,1,1]=4 731 B15R2.352 O=CCSc1cc2ccccc2cn1 62a_200015260668_100000047361 [0,1,0,0,0,0|1,1,1]=4 732 B15R2.352 O=CCSc1ccc2ccccc2c1 62a_200015260668_100000233703 [0,1,0,0,0,0|0,1,1]=3 733 B15R2.352 O=CCSc1ccc2ccccc2n1 62a_100011291633_200015260668 [0,1,0,0,0,0|1,1,1]=4 734 B15R2.352 O=CCSc1ccc2ccccc2n1 62a_200015260668_100011291633 [0,1,0,0,0,0|1,1,1]=4 735 B15R2.352 O=CCSc1ccc2cccnc2c1 62a_200015260668_100009816655 [0,1,0,0,0,0|1,1,1]=4 736 B15R2.352 O=CCSc1ccc2ccncc2c1 62a_100000686496_200015260668 [0,1,0,0,0,0|1,1,1]=4 737 B15R2.352 O=CCSc1ccc2ccncc2c1 62a_200015260668_100000686496 [0,1,0,0,0,0|1,1,1]=4 738 B15R2.352 O=CCSc1ccc2cnccc2c1 62a_100009816743_200015260668 [0,1,0,0,0,0|1,1,1]=4 739 B15R2.352 O=CCSc1ccc2cnccc2c1 62a_200015260668_100009816743 [0,1,0,0,0,0|1,1,1]=4 740 B15R2.352 O=CCSc1ccc2ncccc2c1 62a_100011215947_200015260668 [0,1,0,0,0,0|1,1,1]=4 741 B15R2.352 O=CCSc1ccc2ncccc2c1 62a_200015260668_100011215947 [0,1,0,0,0,0|1,1,1]=4 742 B15R2.352 O=CCSc1cnc2ccccc2c1 62a_200015260668_100000737414 [0,1,0,0,0,0|1,1,1]=4 743 B15R2.352 OCCNc1ccc2ccccc2c1 34a_100000211940_100000211926 [0,1,0,0,0,0|1,0,0]=2 744 B15R2.352 OCCNc1ccc2ccccc2c1 7a_100000211940_100000211926 [0,1,0,0,0,0|1,0,0]=2 745 B15R2.352 OCCNc1ccc2ccccc2n1 27a_100000210304_100011291633 [0,1,0,0,0,0|2,0,0]=3 746 B15R2.352 OCCNc1ccc2cccnc2c1 34a_100102887122_100000211926 [0,1,0,0,0,0|2,0,0]=3 747 B15R2.352 OCCNc1ccc2cccnc2n1 27a_100000210304_100000075685 [0,1,0,0,0,0|3,0,0]=4 748 B15R2.352 OCCNc1ccc2ccncc2n1 27a_100000210304_100000020162 [0,1,0,0,0,0|3,0,0]=4 749 B15R2.352 OCCNc1ccc2cnccc2c1 34a_100000039641_100000211926 [0,1,0,0,0,0|2,0,0]=3 750 B15R2.352 OCCNc1ccc2cncnc2c1 27a_100000210304_100010185614 [0,1,0,0,0,0|3,0,0]=4 751 B15R2.352 OCCNc1ccc2ncccc2c1 34a_100011198106_100000211926 [0,1,0,0,0,0|2,0,0]=3 752 B15R2.352 OCCNc1ccc2ncccc2n1 27a_100000210304_100000073381 [0,1,0,0,0,0|3,0,0]=4 753 B15R2.352 OCCNc1ccc2nccnc2c1 27a_100000210304_100011219451 [0,1,0,0,0,0|3,0,0]=4 754 B15R2.352 OCCNc1ccc2nccnc2c1 34a_100011219565_100000211926 [0,1,0,0,0,0|3,0,0]=4 755 B15R2.352 OCCNc1cnc2ccccc2n1 27a_100000210304_100000756483 [0,1,0,0,0,0|3,0,0]=4 756 B15R2.352 OCCNc1ncc2ccccc2n1 27a_100000210304_100000097389 [0,1,0,0,0,0|3,0,0]=4 757 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [0,1,0,0,0,0|0,0,0]=1 758 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [0,1,0,0,0,0|0,0,0]=1 759 B15R2.352 OCCOc1ccc2cccnc2c1 34a_100011216045_100000211926 [0,1,0,0,0,0|1,0,0]=2 760 B15R2.352 OCCOc1ccc2ccncc2c1 7a_100000752006_100000211926 [0,1,0,0,0,0|1,0,0]=2 761 B15R2.352 OCCOc1ccc2cnccc2c1 34a_100000046372_100000211926 [0,1,0,0,0,0|1,0,0]=2 762 B15R2.352 OCCOc1ccc2cnccc2c1 7a_100000046372_100000211926 [0,1,0,0,0,0|1,0,0]=2 763 B15R2.352 OCCOc1ccc2ncccc2c1 34a_100011215586_100000211926 [0,1,0,0,0,0|1,0,0]=2 764 B15R2.352 OCCOc1ccc2ncccc2c1 7a_100011215586_100000211926 [0,1,0,0,0,0|1,0,0]=2 765 B15R2.352 OCCOc1ccc2nccnc2c1 34a_100000694412_100000211926 [0,1,0,0,0,0|2,0,0]=3 766 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [0,1,0,0,0,0|1,0,0]=2 767 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [0,1,0,0,0,0|1,0,0]=2 768 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100000211926_100000047361 [0,1,0,0,0,0|1,1,0]=3 769 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100009816522_100000211926 [0,1,0,0,0,0|1,1,0]=3 770 B15R2.352 OCCSc1ccc2ccccc2c1 62a_100000211926_100000233703 [0,1,0,0,0,0|0,1,0]=2 771 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100000211926_100011291633 [0,1,0,0,0,0|1,1,0]=3 772 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100011291633_100000211926 [0,1,0,0,0,0|1,1,0]=3 773 B15R2.352 OCCSc1ccc2cccnc2c1 62a_100000211926_100009816655 [0,1,0,0,0,0|1,1,0]=3 774 B15R2.352 OCCSc1ccc2cccnc2n1 62a_100000075685_100000211926 [0,1,0,0,0,0|2,1,0]=4 775 B15R2.352 OCCSc1ccc2cccnc2n1 62a_100000211926_100000075685 [0,1,0,0,0,0|2,1,0]=4 776 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000211926_100000686496 [0,1,0,0,0,0|1,1,0]=3 777 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000686496_100000211926 [0,1,0,0,0,0|1,1,0]=3 778 B15R2.352 OCCSc1ccc2ccncc2n1 62a_100000211926_100000020162 [0,1,0,0,0,0|2,1,0]=4 779 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100000211926_100009816743 [0,1,0,0,0,0|1,1,0]=3 780 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100009816743_100000211926 [0,1,0,0,0,0|1,1,0]=3 781 B15R2.352 OCCSc1ccc2cncnc2c1 62a_100000211926_100010185614 [0,1,0,0,0,0|2,1,0]=4 782 B15R2.352 OCCSc1ccc2cncnc2c1 62a_100010185614_100000211926 [0,1,0,0,0,0|2,1,0]=4 783 B15R2.352 OCCSc1ccc2cnncc2c1 62a_100000211926_100010198781 [0,1,0,0,0,0|2,1,0]=4 784 B15R2.352 OCCSc1ccc2cnncc2c1 62a_100010198781_100000211926 [0,1,0,0,0,0|2,1,0]=4 785 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100000211926_100011215947 [0,1,0,0,0,0|1,1,0]=3 786 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100011215947_100000211926 [0,1,0,0,0,0|1,1,0]=3 787 B15R2.352 OCCSc1ccc2ncccc2n1 62a_100000211926_100000073381 [0,1,0,0,0,0|2,1,0]=4 788 B15R2.352 OCCSc1ccc2nccnc2c1 62a_100000211926_100011219451 [0,1,0,0,0,0|2,1,0]=4 789 B15R2.352 OCCSc1ccc2nccnc2c1 62a_100011219451_100000211926 [0,1,0,0,0,0|2,1,0]=4 790 B15R2.352 OCCSc1ccc2ncncc2c1 62a_100000211926_100009989443 [0,1,0,0,0,0|2,1,0]=4 791 B15R2.352 OCCSc1ccc2ncncc2c1 62a_100009989443_100000211926 [0,1,0,0,0,0|2,1,0]=4 792 B15R2.352 OCCSc1ccc2nnccc2c1 62a_100000211926_100010209549 [0,1,0,0,0,0|2,1,0]=4 793 B15R2.352 OCCSc1ccc2nnccc2c1 62a_100010209549_100000211926 [0,1,0,0,0,0|2,1,0]=4 794 B15R2.352 OCCSc1cnc2ccccc2c1 62a_100000211926_100000737414 [0,1,0,0,0,0|1,1,0]=3 795 B15R2.352 OCCSc1cnc2ccccc2n1 62a_100000211926_100000756483 [0,1,0,0,0,0|2,1,0]=4 796 B15R2.352 OCCSc1cnc2ccccc2n1 62a_100000756483_100000211926 [0,1,0,0,0,0|2,1,0]=4 797 B15R2.352 OCCSc1cnc2cccnc2c1 62a_100000211926_100010246316 [0,1,0,0,0,0|2,1,0]=4 798 B15R2.352 OCCSc1cnc2cccnc2c1 62a_100010246316_100000211926 [0,1,0,0,0,0|2,1,0]=4 799 B15R2.352 OCCSc1ncc2ccccc2n1 62a_100000211926_100000097389 [0,1,0,0,0,0|2,1,0]=4 800 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [0,1,0,0,0,0|1,0,0]=2 801 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [0,1,0,0,0,0|1,0,0]=2 802 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [0,1,0,0,0,0|1,0,0]=2 803 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [0,1,0,0,0,0|1,0,0]=2 804 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [0,1,0,0,0,0|2,0,0]=3 805 B15R2.886 C=C=Cc1cc(c2ccccc2c1)N 271570a_100015277604_100010171453 [0,1,0,0,0,0|1,0,2]=4 806 B15R2.886 C=C=Cc1cc(c2ccccc2c1)O 271570a_100015277604_100010089979 [0,1,0,0,0,0|1,0,2]=4 807 B15R2.886 CC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016259895_100000090176 [0,1,0,0,0,0|2,0,1]=4 808 B15R2.886 CC=Cc1cc(c2ccccc2c1)N 271570a_100016259895_100010171453 [0,1,0,0,0,0|1,0,1]=3 809 B15R2.886 CC=Cc1cc(c2ccccc2c1)O 271570a_100016259895_100010089979 [0,1,0,0,0,0|1,0,1]=3 810 B15R2.886 CC=Cc1cc(c2ccccc2n1)C 271570a_100016259895_100012354972 [0,1,0,0,0,0|2,0,1]=4 811 B15R2.886 CC=Cc1cc(c2ccccc2n1)N 271570a_100016259895_100010197925 [0,1,0,0,0,0|2,0,1]=4 812 B15R2.886 CC=Cc1cc(c2cccnc2c1)N 271570a_100016259895_200010263263 [0,1,0,0,0,0|2,0,1]=4 813 B15R2.886 CC=Cc1cc(c2cnccc2c1)F 271570a_100016259895_100011068762 [0,1,0,0,0,0|2,0,1]=4 814 B15R2.886 CC=Cc1cc(c2ncccc2c1)C 271570a_100016259895_100010130319 [0,1,0,0,0,0|2,0,1]=4 815 B15R2.886 CC=Cc1cc(c2ncccc2c1)Cl 271570a_100016259895_200010369337 [0,1,0,0,0,0|2,0,1]=4 816 B15R2.886 CC=Cc1cc(c2ncccc2c1)F 271570a_100016259895_100010234705 [0,1,0,0,0,0|2,0,1]=4 817 B15R2.886 CC=Cc1cc(c2ncccc2c1)N 271570a_100016259895_100009814519 [0,1,0,0,0,0|2,0,1]=4 818 B15R2.886 CC=Cc1cc(c2ncccc2c1)O 271570a_100016259895_100010248853 [0,1,0,0,0,0|2,0,1]=4 819 B15R2.886 CC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016259895_200010000521 [0,1,0,0,0,0|2,0,1]=4 820 B15R2.886 CC=Cc1cc2ccccc2c(n1)N 271570a_100016259895_100009957331 [0,1,0,0,0,0|2,0,1]=4 821 B15R2.886 CCNc1cc(=O)n2ccccc2n1 27a_100015525214_100000707704 [0,1,0,0,0,0|3,0,0]=4 822 B15R2.886 CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210202 [0,1,0,0,0,0|1,0,0]=2 823 B15R2.886 CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210202 [0,1,0,0,0,0|1,0,0]=2 824 B15R2.886 CCNc1cc(c2ccccc2n1)C 27a_100015525214_100000184993 [0,1,0,0,0,0|2,0,0]=3 825 B15R2.886 CCNc1cc(c2cnccc2c1)F 27a_100015525214_100011068762 [0,1,0,0,0,0|2,0,0]=3 826 B15R2.886 CCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210202 [0,1,0,0,0,0|2,0,0]=3 827 B15R2.886 CCNc1cc(c2nccnc2c1)C 27a_100015525214_100010080486 [0,1,0,0,0,0|3,0,0]=4 828 B15R2.886 CCNc1cc(c2nccnc2c1)F 27a_100015525214_100010079260 [0,1,0,0,0,0|3,0,0]=4 829 B15R2.886 CCNc1nc(c2ccccc2n1)C 27a_100015525214_100000046098 [0,1,0,0,0,0|3,0,0]=4 830 B15R2.886 CCNc1nc(c2ccccc2n1)N 27a_100015525214_100000690328 [0,1,0,0,0,0|3,0,0]=4 831 B15R2.886 CCNc1nc(c2ccccc2n1)O 27a_100015525214_100000187174 [0,1,0,0,0,0|3,0,0]=4 832 B15R2.886 CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210202 [0,1,0,0,0,0|2,0,0]=3 833 B15R2.886 CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210202 [0,1,0,0,0,0|0,0,0]=1 834 B15R2.886 CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210202 [0,1,0,0,0,0|0,0,0]=1 835 B15R2.886 CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210202 [0,1,0,0,0,0|1,0,0]=2 836 B15R2.886 CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210202 [0,1,0,0,0,0|1,0,0]=2 837 B15R2.886 CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210202 [0,1,0,0,0,0|1,0,0]=2 838 B15R2.886 CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210202 [0,1,0,0,0,0|1,0,0]=2 839 B15R2.886 CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210202 [0,1,0,0,0,0|1,0,0]=2 840 B15R2.886 CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210202 [0,1,0,0,0,0|1,0,0]=2 841 B15R2.886 CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210202 [0,1,0,0,0,0|1,0,0]=2 842 B15R2.886 CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210202_100000090176 [0,1,0,0,0,0|1,1,0]=3 843 B15R2.886 CCSc1cc(=O)n2ccccc2n1 62a_100000210202_100000707704 [0,1,0,0,0,0|2,1,0]=4 844 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100000210202_100010171453 [0,1,0,0,0,0|0,1,0]=2 845 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210202 [0,1,0,0,0,0|0,1,0]=2 846 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [0,1,0,0,0,0|0,1,0]=2 847 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100000210202_100000184993 [0,1,0,0,0,0|1,1,0]=3 848 B15R2.886 CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210202 [0,1,0,0,0,0|1,1,0]=3 849 B15R2.886 CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210202 [0,1,0,0,0,0|1,1,0]=3 850 B15R2.886 CCSc1cc(c2cccnc2c1)N 62a_100000210202_200010263263 [0,1,0,0,0,0|1,1,0]=3 851 B15R2.886 CCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210202 [0,1,0,0,0,0|1,1,0]=3 852 B15R2.886 CCSc1cc(c2cnccc2c1)F 62a_100000210202_100011068762 [0,1,0,0,0,0|1,1,0]=3 853 B15R2.886 CCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210202 [0,1,0,0,0,0|1,1,0]=3 854 B15R2.886 CCSc1cc(c2ncccc2c1)C 62a_100000210202_100010130319 [0,1,0,0,0,0|1,1,0]=3 855 B15R2.886 CCSc1cc(c2ncccc2c1)Cl 62a_100000210202_200010369337 [0,1,0,0,0,0|1,1,0]=3 856 B15R2.886 CCSc1cc(c2ncccc2c1)F 62a_100000210202_100010234705 [0,1,0,0,0,0|1,1,0]=3 857 B15R2.886 CCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210202 [0,1,0,0,0,0|1,1,0]=3 858 B15R2.886 CCSc1cc(c2ncccc2c1)N 62a_100000210202_100009814519 [0,1,0,0,0,0|1,1,0]=3 859 B15R2.886 CCSc1cc(c2ncccc2c1)O 62a_100000210202_100010248853 [0,1,0,0,0,0|1,1,0]=3 860 B15R2.886 CCSc1cc(c2nccnc2c1)C 62a_100000210202_100010080486 [0,1,0,0,0,0|2,1,0]=4 861 B15R2.886 CCSc1cc(c2nccnc2c1)F 62a_100000210202_100010079260 [0,1,0,0,0,0|2,1,0]=4 862 B15R2.886 CCSc1cc(c2nccnc2c1)F 62a_100010079260_100000210202 [0,1,0,0,0,0|2,1,0]=4 863 B15R2.886 CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210202_200015811170 [0,1,0,0,0,0|1,1,0]=3 864 B15R2.886 CCSc1cc2ccccc2c(n1)N 62a_100000210202_100009957331 [0,1,0,0,0,0|1,1,0]=3 865 B15R2.886 CCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210202 [0,1,0,0,0,0|1,1,0]=3 866 B15R2.886 CCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210202 [0,1,0,0,0,0|2,1,0]=4 867 B15R2.886 CCSc1nc(c2ccccc2n1)C 62a_100000210202_100000046098 [0,1,0,0,0,0|2,1,0]=4 868 B15R2.886 CCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210202 [0,1,0,0,0,0|2,1,0]=4 869 B15R2.886 CCSc1nc(c2ccccc2n1)O 271570a_203496583355_200010777449 [0,1,0,0,0,0|2,1,0]=4 870 B15R2.886 CCSc1nc(c2ccccc2n1)O 62a_100000210202_100000187174 [0,1,0,0,0,0|2,1,0]=4 871 B15R2.886 CNCc1cc(c2ccccc2c1)Br 26a_100102657272_100010001680 [0,1,0,0,0,0|2,0,0]=3 872 B15R2.886 CNCc1cc(c2cnccc2c1)Br 26a_100102657272_100011009069 [0,1,0,0,0,0|3,0,0]=4 873 B15R2.886 Cc1cc(cc2c1nccc2)SCF 62a_100015361967_100010130319 [0,1,0,0,0,0|2,1,0]=4 874 B15R2.886 Cc1cc(nc2c1cccc2)SCF 62a_100012354972_100015361967 [0,1,0,0,0,0|2,1,0]=4 875 B15R2.886 Cc1cc(nc2c1cccc2)SCF 62a_100015361967_100000184993 [0,1,0,0,0,0|2,1,0]=4 876 B15R2.886 FCNc1cc(c2ccccc2c1)Br 34a_100010089974_100015361967 [0,1,0,0,0,0|2,0,0]=3 877 B15R2.886 FCNc1cc(c2ccccc2c1)Br 7a_100010089974_100015361967 [0,1,0,0,0,0|2,0,0]=3 878 B15R2.886 FCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100015361967 [0,1,0,0,0,0|3,0,0]=4 879 B15R2.886 FCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015361967 [0,1,0,0,0,0|1,0,0]=2 880 B15R2.886 FCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015361967 [0,1,0,0,0,0|1,0,0]=2 881 B15R2.886 FCOc1cc(c2cnccc2c1)Br 34a_100011009069_100015361967 [0,1,0,0,0,0|2,0,0]=3 882 B15R2.886 FCOc1cc(c2cnccc2c1)Br 7a_100011009069_100015361967 [0,1,0,0,0,0|2,0,0]=3 883 B15R2.886 FCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100015361967 [0,1,0,0,0,0|2,0,0]=3 884 B15R2.886 FCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100015361967 [0,1,0,0,0,0|2,0,0]=3 885 B15R2.886 FCOc1cc(c2ncccc2c1)F 34a_100009888031_100015361967 [0,1,0,0,0,0|2,0,0]=3 886 B15R2.886 FCOc1cc(c2ncccc2c1)F 7a_100009888031_100015361967 [0,1,0,0,0,0|2,0,0]=3 887 B15R2.886 FCSc1cc(c2cnccc2c1)F 62a_100011068762_100015361967 [0,1,0,0,0,0|2,1,0]=4 888 B15R2.886 FCSc1cc(c2cnccc2c1)F 62a_100015361967_100011068762 [0,1,0,0,0,0|2,1,0]=4 889 B15R2.886 FCSc1cc(c2ncccc2c1)Cl 62a_100015361967_200010369337 [0,1,0,0,0,0|2,1,0]=4 890 B15R2.886 FCSc1cc(c2ncccc2c1)F 62a_100010234705_100015361967 [0,1,0,0,0,0|2,1,0]=4 891 B15R2.886 FCSc1cc(c2ncccc2c1)F 62a_100015361967_100010234705 [0,1,0,0,0,0|2,1,0]=4 892 B15R2.886 Nc1cc(cc2c1cccc2)SCF 62a_100010171453_100015361967 [0,1,0,0,0,0|1,1,0]=3 893 B15R2.886 Nc1cc(cc2c1cccc2)SCF 62a_100015361967_100010171453 [0,1,0,0,0,0|1,1,0]=3 894 B15R2.886 Nc1cc(cc2c1cccn2)SCF 62a_100015361967_200010263263 [0,1,0,0,0,0|2,1,0]=4 895 B15R2.886 Nc1cc(cc2c1cccn2)SCF 62a_200010263263_100015361967 [0,1,0,0,0,0|2,1,0]=4 896 B15R2.886 Nc1cc(cc2c1nccc2)OCF 34a_100000083691_100015361967 [0,1,0,0,0,0|2,0,0]=3 897 B15R2.886 Nc1cc(cc2c1nccc2)SCF 62a_100015361967_100009814519 [0,1,0,0,0,0|2,1,0]=4 898 B15R2.886 Nc1cc(nc2c1cccc2)SCF 62a_100010197925_100015361967 [0,1,0,0,0,0|2,1,0]=4 899 B15R2.886 Nc1nc(cc2c1cccc2)SCF 62a_100009957331_100015361967 [0,1,0,0,0,0|2,1,0]=4 900 B15R2.886 Nc1nc(cc2c1cccc2)SCF 62a_100015361967_100009957331 [0,1,0,0,0,0|2,1,0]=4 901 B15R2.886 O=c1[nH]c(cc2c1cccc2)SCF 62a_100015361967_200015811170 [0,1,0,0,0,0|2,1,0]=4 902 B15R2.886 O=c1cc([nH]c2c1cccc2)SCF 62a_100015361967_100000090176 [0,1,0,0,0,0|2,1,0]=4 903 B15R2.886 O=c1cc(nc2n1cccc2)OCF 34a_100000751361_100015361967 [0,1,0,0,0,0|3,0,0]=4 904 B15R2.886 Oc1cc(cc2c1cccc2)SCF 62a_100015361967_100010089979 [0,1,0,0,0,0|1,1,0]=3 905 B15R2.886 Oc1cc(cc2c1nccc2)SCF 62a_100015361967_100010248853 [0,1,0,0,0,0|2,1,0]=4 906 B15R2.888 C=C=Cc1cc2ccccc2cc1Br 271570a_100015277604_200010169544 [0,1,0,0,0,0|1,0,2]=4 907 B15R2.888 C=C=Cc1cc2ccccc2cc1Cl 271570a_100015277604_100010152806 [0,1,0,0,0,0|1,0,2]=4 908 B15R2.888 C=C=Cc1cc2ccccc2cc1N 271570a_100015277604_100009991566 [0,1,0,0,0,0|1,0,2]=4 909 B15R2.888 C=C=Cc1cc2ccccc2cc1O 271570a_100015277604_100009817189 [0,1,0,0,0,0|1,0,2]=4 910 B15R2.888 CC=Cc1cc2ccccc2cc1Br 271570a_100016259895_200010169544 [0,1,0,0,0,0|1,0,1]=3 911 B15R2.888 CC=Cc1cc2ccccc2cc1Cl 271570a_100016259895_100010152806 [0,1,0,0,0,0|1,0,1]=3 912 B15R2.888 CC=Cc1cc2ccccc2cc1N 271570a_100016259895_100009991566 [0,1,0,0,0,0|1,0,1]=3 913 B15R2.888 CC=Cc1cc2ccccc2cc1O 271570a_100016259895_100009817189 [0,1,0,0,0,0|1,0,1]=3 914 B15R2.888 CC=Cc1cc2ccccc2nc1Cl 271570a_100016259895_100010220712 [0,1,0,0,0,0|2,0,1]=4 915 B15R2.888 CC=Cc1cc2ccccc2nc1F 271570a_100016259895_100011158909 [0,1,0,0,0,0|2,0,1]=4 916 B15R2.888 CC=Cc1cc2ccccc2nc1N 271570a_100016259895_100010135404 [0,1,0,0,0,0|2,0,1]=4 917 B15R2.888 CC=Cc1cc2ccccc2nc1O 271570a_100016259895_200009820883 [0,1,0,0,0,0|2,0,1]=4 918 B15R2.888 CC=Cc1cc2ccccc2oc1=O 271570a_100016259895_200000187772 [0,1,0,0,0,0|2,0,1]=4 919 B15R2.888 CC=Cc1cc2cccnc2cc1C 271570a_100016259895_100010137429 [0,1,0,0,0,0|2,0,1]=4 920 B15R2.888 CC=Cc1cc2cccnc2cc1F 271570a_100016259895_100009854028 [0,1,0,0,0,0|2,0,1]=4 921 B15R2.888 CC=Cc1cc2ccncc2cc1F 271570a_100016259895_100011105921 [0,1,0,0,0,0|2,0,1]=4 922 B15R2.888 CC=Cc1cc2cnccc2cc1F 271570a_100016259895_100010244713 [0,1,0,0,0,0|2,0,1]=4 923 B15R2.888 CC=Cc1cc2ncccc2cc1O 271570a_100016259895_200010153759 [0,1,0,0,0,0|2,0,1]=4 924 B15R2.888 CC=Cc1nc2ccccc2cc1Br 271570a_100016259895_100010072790 [0,1,0,0,0,0|2,0,1]=4 925 B15R2.888 CC=Cc1nc2ccccc2cc1C 271570a_100016259895_100000751756 [0,1,0,0,0,0|2,0,1]=4 926 B15R2.888 CC=Cc1nc2ccccc2cc1O 271570a_100016259895_200000100762 [0,1,0,0,0,0|2,0,1]=4 927 B15R2.888 CCNc1cc2ccccc2cc1Br 34a_100009991566_100000210202 [0,1,0,0,0,0|1,0,0]=2 928 B15R2.888 CCNc1cc2ccccc2cc1Br 7a_100009991566_100000210202 [0,1,0,0,0,0|1,0,0]=2 929 B15R2.888 CCNc1cc2nccnc2cc1C 27a_100015525214_100010080479 [0,1,0,0,0,0|3,0,0]=4 930 B15R2.888 CCNc1cc2nccnc2cc1F 27a_100015525214_100010080477 [0,1,0,0,0,0|3,0,0]=4 931 B15R2.888 CCNc1nc2ccccc2cc1C 27a_100015525214_100000751756 [0,1,0,0,0,0|2,0,0]=3 932 B15R2.888 CCNc1nc2ccccc2nc1C 27a_100015525214_100000185947 [0,1,0,0,0,0|3,0,0]=4 933 B15R2.888 CCNc1nc2ccccc2nc1N 27a_100015525214_100000009970 [0,1,0,0,0,0|3,0,0]=4 934 B15R2.888 CCNc1nc2ncccc2cc1C 27a_100015525214_100009877248 [0,1,0,0,0,0|3,0,0]=4 935 B15R2.888 CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210202 [0,1,0,0,0,0|0,0,0]=1 936 B15R2.888 CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210202 [0,1,0,0,0,0|0,0,0]=1 937 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [0,1,0,0,0,0|0,0,0]=1 938 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [0,1,0,0,0,0|0,0,0]=1 939 B15R2.888 CCOc1cc2ccccc2cc1N 34a_106744474703_100000210202 [0,1,0,0,0,0|0,0,0]=1 940 B15R2.888 CCOc1cc2ccccc2cc1N 7a_106744474703_100000210202 [0,1,0,0,0,0|0,0,0]=1 941 B15R2.888 CCOc1cc2ccccc2nc1C 34a_200000079175_100000210202 [0,1,0,0,0,0|1,0,0]=2 942 B15R2.888 CCOc1cc2ccccc2nc1C 7a_200000079175_100000210202 [0,1,0,0,0,0|1,0,0]=2 943 B15R2.888 CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210202 [0,1,0,0,0,0|1,0,0]=2 944 B15R2.888 CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210202 [0,1,0,0,0,0|1,0,0]=2 945 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,1,0,0,0,0|1,0,0]=2 946 B15R2.888 CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210202 [0,1,0,0,0,0|1,0,0]=2 947 B15R2.888 CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210202 [0,1,0,0,0,0|1,0,0]=2 948 B15R2.888 CCSc1cc2ccccc2cc1Br 62a_100000210202_200010169544 [0,1,0,0,0,0|0,1,0]=2 949 B15R2.888 CCSc1cc2ccccc2cc1Br 62a_200010169544_100000210202 [0,1,0,0,0,0|0,1,0]=2 950 B15R2.888 CCSc1cc2ccccc2cc1Cl 62a_100000210202_100010152806 [0,1,0,0,0,0|0,1,0]=2 951 B15R2.888 CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210202 [0,1,0,0,0,0|0,1,0]=2 952 B15R2.888 CCSc1cc2ccccc2cc1N 62a_100000210202_100009991566 [0,1,0,0,0,0|0,1,0]=2 953 B15R2.888 CCSc1cc2ccccc2cc1N 62a_100009991566_100000210202 [0,1,0,0,0,0|0,1,0]=2 954 B15R2.888 CCSc1cc2ccccc2cc1O 62a_100000210202_100009817189 [0,1,0,0,0,0|0,1,0]=2 955 B15R2.888 CCSc1cc2ccccc2nc1Cl 62a_100000210202_100010220712 [0,1,0,0,0,0|1,1,0]=3 956 B15R2.888 CCSc1cc2ccccc2nc1F 62a_100000210202_100011158909 [0,1,0,0,0,0|1,1,0]=3 957 B15R2.888 CCSc1cc2ccccc2nc1F 62a_100011158909_100000210202 [0,1,0,0,0,0|1,1,0]=3 958 B15R2.888 CCSc1cc2ccccc2nc1N 62a_100010135404_100000210202 [0,1,0,0,0,0|1,1,0]=3 959 B15R2.888 CCSc1cc2ccccc2nc1O 62a_100000210202_200009820883 [0,1,0,0,0,0|1,1,0]=3 960 B15R2.888 CCSc1cc2ccccc2oc1=O 62a_100000210202_200000187772 [0,1,0,0,0,0|1,1,0]=3 961 B15R2.888 CCSc1cc2cccnc2cc1C 62a_100000210202_100010137429 [0,1,0,0,0,0|1,1,0]=3 962 B15R2.888 CCSc1cc2cccnc2cc1C 62a_100010137429_100000210202 [0,1,0,0,0,0|1,1,0]=3 963 B15R2.888 CCSc1cc2cccnc2cc1F 62a_100000210202_100009854028 [0,1,0,0,0,0|1,1,0]=3 964 B15R2.888 CCSc1cc2cccnc2cc1F 62a_100009854028_100000210202 [0,1,0,0,0,0|1,1,0]=3 965 B15R2.888 CCSc1cc2ccncc2cc1F 62a_100000210202_100011105921 [0,1,0,0,0,0|1,1,0]=3 966 B15R2.888 CCSc1cc2ccncc2cc1F 62a_100011105921_100000210202 [0,1,0,0,0,0|1,1,0]=3 967 B15R2.888 CCSc1cc2cnccc2cc1F 62a_100000210202_100010244713 [0,1,0,0,0,0|1,1,0]=3 968 B15R2.888 CCSc1cc2cnccc2cc1F 62a_100010244713_100000210202 [0,1,0,0,0,0|1,1,0]=3 969 B15R2.888 CCSc1cc2ncccc2cc1O 62a_100000210202_200010153759 [0,1,0,0,0,0|1,1,0]=3 970 B15R2.888 CCSc1cc2nccnc2cc1C 62a_100000210202_100010080479 [0,1,0,0,0,0|2,1,0]=4 971 B15R2.888 CCSc1cc2nccnc2cc1C 62a_100010080479_100000210202 [0,1,0,0,0,0|2,1,0]=4 972 B15R2.888 CCSc1cc2nccnc2cc1F 62a_100000210202_100010080477 [0,1,0,0,0,0|2,1,0]=4 973 B15R2.888 CCSc1cc2nccnc2cc1F 62a_100010080477_100000210202 [0,1,0,0,0,0|2,1,0]=4 974 B15R2.888 CCSc1nc2ccccc2cc1Br 62a_100000210202_100010072790 [0,1,0,0,0,0|1,1,0]=3 975 B15R2.888 CCSc1nc2ccccc2cc1Br 62a_100010072790_100000210202 [0,1,0,0,0,0|1,1,0]=3 976 B15R2.888 CCSc1nc2ccccc2cc1C 62a_100000210202_100000751756 [0,1,0,0,0,0|1,1,0]=3 977 B15R2.888 CCSc1nc2ccccc2cc1O 62a_100000210202_200000100762 [0,1,0,0,0,0|1,1,0]=3 978 B15R2.888 CCSc1nc2ccccc2nc1C 62a_100000210202_100000185947 [0,1,0,0,0,0|2,1,0]=4 979 B15R2.888 CCSc1nc2ccccc2nc1C 62a_100000757254_100000210202 [0,1,0,0,0,0|2,1,0]=4 980 B15R2.888 CCSc1nc2ncccc2cc1C 62a_100000210202_100009877248 [0,1,0,0,0,0|2,1,0]=4 981 B15R2.888 CNCc1cc2ccccc2cc1Br 26a_100102657272_100009817189 [0,1,0,0,0,0|2,0,0]=3 982 B15R2.888 CNCc1cc2ccccc2nc1Cl 2230a_106832991635_100000189640 [0,1,0,0,0,0|3,0,0]=4 983 B15R2.888 CNCc1cc2ccccc2nc1Cl 34a_100102657272_100000189640 [0,1,0,0,0,0|3,0,0]=4 984 B15R2.888 CNCc1cc2ccccc2nc1Cl 7a_106832991635_100000189640 [0,1,0,0,0,0|3,0,0]=4 985 B15R2.888 CNCc1cc2ccccc2nc1O 207a_100102657272_100000184424 [0,1,0,0,0,0|3,0,0]=4 986 B15R2.888 CNCc1cc2ccccc2nc1O 270004a_106832991635_100000184424 [0,1,0,0,0,0|3,0,0]=4 987 B15R2.888 CNCc1cc2cccnc2cc1Br 26a_100102657272_200010153759 [0,1,0,0,0,0|3,0,0]=4 988 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100000754719_200000210301 [0,1,0,0,0,0|3,0,0]=4 989 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100138415774_100000189640 [0,1,0,0,0,0|3,0,0]=4 990 B15R2.888 COCc1cc2ccccc2nc1Cl 7a_100000754719_200000210301 [0,1,0,0,0,0|3,0,0]=4 991 B15R2.888 CSCc1cc2ccccc2nc1Cl 62a_200000210301_100000189640 [0,1,0,0,0,0|3,0,0]=4 992 B15R2.888 Cc1cc2ccccc2cc1OCF 34a_100000091601_100015361967 [0,1,0,0,0,0|1,0,0]=2 993 B15R2.888 Cc1cc2ccccc2cc1OCF 7a_100000091601_100015361967 [0,1,0,0,0,0|1,0,0]=2 994 B15R2.888 Cc1cc2ccccc2nc1SCF 62a_100015361967_100000751756 [0,1,0,0,0,0|2,1,0]=4 995 B15R2.888 Cc1cc2ncccc2cc1SCF 62a_100010137429_100015361967 [0,1,0,0,0,0|2,1,0]=4 996 B15R2.888 Cc1cc2ncccc2cc1SCF 62a_100015361967_100010137429 [0,1,0,0,0,0|2,1,0]=4 997 B15R2.888 Cc1nc2ccccc2cc1OCF 34a_200000079175_100015361967 [0,1,0,0,0,0|2,0,0]=3 998 B15R2.888 Cc1nc2ccccc2cc1OCF 7a_200000079175_100015361967 [0,1,0,0,0,0|2,0,0]=3 999 B15R2.888 FCNc1cc2ccccc2cc1Br 34a_100009991566_100015361967 [0,1,0,0,0,0|2,0,0]=3 1000 B15R2.888 FCNc1cc2ccccc2cc1Br 7a_100009991566_100015361967 [0,1,0,0,0,0|2,0,0]=3 1001 B15R2.888 FCOc1cc2ccccc2cc1Br 34a_100009817189_100015361967 [0,1,0,0,0,0|1,0,0]=2 1002 B15R2.888 FCOc1cc2ccccc2cc1Br 7a_100009817189_100015361967 [0,1,0,0,0,0|1,0,0]=2 1003 B15R2.888 FCOc1cc2ccccc2nc1Cl 34a_200000100762_100015361967 [0,1,0,0,0,0|2,0,0]=3 1004 B15R2.888 FCOc1cc2ccccc2nc1Cl 7a_200000100762_100015361967 [0,1,0,0,0,0|2,0,0]=3 1005 B15R2.888 FCOc1cc2cccnc2cc1Br 34a_200010153759_100015361967 [0,1,0,0,0,0|2,0,0]=3 1006 B15R2.888 FCOc1cc2cccnc2cc1Br 7a_200010153759_100015361967 [0,1,0,0,0,0|2,0,0]=3 1007 B15R2.888 FCSc1cc2ccccc2cc1Br 62a_100015361967_200010169544 [0,1,0,0,0,0|1,1,0]=3 1008 B15R2.888 FCSc1cc2ccccc2cc1Br 62a_200010169544_100015361967 [0,1,0,0,0,0|1,1,0]=3 1009 B15R2.888 FCSc1cc2ccccc2cc1Cl 62a_100010152806_100015361967 [0,1,0,0,0,0|1,1,0]=3 1010 B15R2.888 FCSc1cc2ccccc2cc1Cl 62a_100015361967_100010152806 [0,1,0,0,0,0|1,1,0]=3 1011 B15R2.888 FCSc1cc2ccccc2nc1Cl 62a_100015361967_100010220712 [0,1,0,0,0,0|2,1,0]=4 1012 B15R2.888 FCSc1cc2ccccc2nc1F 62a_100011158909_100015361967 [0,1,0,0,0,0|2,1,0]=4 1013 B15R2.888 FCSc1cc2ccccc2nc1F 62a_100015361967_100011158909 [0,1,0,0,0,0|2,1,0]=4 1014 B15R2.888 FCSc1cc2cccnc2cc1F 62a_100009854028_100015361967 [0,1,0,0,0,0|2,1,0]=4 1015 B15R2.888 FCSc1cc2cccnc2cc1F 62a_100015361967_100009854028 [0,1,0,0,0,0|2,1,0]=4 1016 B15R2.888 FCSc1cc2ccncc2cc1F 62a_100011105921_100015361967 [0,1,0,0,0,0|2,1,0]=4 1017 B15R2.888 FCSc1cc2ccncc2cc1F 62a_100015361967_100011105921 [0,1,0,0,0,0|2,1,0]=4 1018 B15R2.888 FCSc1cc2cnccc2cc1F 62a_100010244713_100015361967 [0,1,0,0,0,0|2,1,0]=4 1019 B15R2.888 FCSc1cc2cnccc2cc1F 62a_100015361967_100010244713 [0,1,0,0,0,0|2,1,0]=4 1020 B15R2.888 FCSc1nc2ccccc2cc1Br 62a_100010072790_100015361967 [0,1,0,0,0,0|2,1,0]=4 1021 B15R2.888 FCSc1nc2ccccc2cc1Br 62a_100015361967_100010072790 [0,1,0,0,0,0|2,1,0]=4 1022 B15R2.888 Nc1cc2ccccc2cc1OCF 34a_106744474703_100015361967 [0,1,0,0,0,0|1,0,0]=2 1023 B15R2.888 Nc1cc2ccccc2cc1OCF 7a_106744474703_100015361967 [0,1,0,0,0,0|1,0,0]=2 1024 B15R2.888 Nc1cc2ccccc2cc1SCF 62a_100009991566_100015361967 [0,1,0,0,0,0|1,1,0]=3 1025 B15R2.888 Nc1cc2ccccc2cc1SCF 62a_100015361967_100009991566 [0,1,0,0,0,0|1,1,0]=3 1026 B15R2.888 Nc1nc2ccccc2cc1SCF 62a_100010135404_100015361967 [0,1,0,0,0,0|2,1,0]=4 1027 B15R2.888 O=c1oc2ccccc2cc1OCF 7a_100000061252_100015361967 [0,1,0,0,0,0|2,0,0]=3 1028 B15R2.888 O=c1oc2ccccc2cc1SCF 62a_100015361967_200000187772 [0,1,0,0,0,0|2,1,0]=4 1029 B15R2.888 Oc1cc2ccccc2cc1SCF 62a_100015361967_100009817189 [0,1,0,0,0,0|1,1,0]=3 1030 B15R2.888 Oc1cc2ccccc2nc1SCF 62a_100015361967_200000100762 [0,1,0,0,0,0|2,1,0]=4 1031 B15R2.888 Oc1cc2cccnc2cc1SCF 62a_100015361967_200010153759 [0,1,0,0,0,0|2,1,0]=4 1032 B15R2.888 Oc1nc2ccccc2cc1SCF 62a_100015361967_200009820883 [0,1,0,0,0,0|2,1,0]=4 1033 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 34a_100000754719_200025704644 [0,1,0,0,0,0|3,0,0]=4 1034 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 7a_100000754719_200025704644 [0,1,0,0,0,0|3,0,0]=4 1035 B15R2.888 [13CH3]SCc1cc2ccccc2nc1Cl 62a_200025704644_100000189640 [0,1,0,0,0,0|3,0,0]=4 1036 B15R2.1282 C=C=Cc1ccc2ccc(cc2c1)N 271570a_100015277604_100010090036 [0,1,0,0,0,0|1,0,2]=4 1037 B15R2.1282 C=C=Cc1ccc2ccc(cc2c1)O 271570a_100015277604_100009816537 [0,1,0,0,0,0|1,0,2]=4 1038 B15R2.1282 CC=Cc1cc2cc(ccc2cn1)F 271570a_100016259895_100009828686 [0,1,0,0,0,0|2,0,1]=4 1039 B15R2.1282 CC=Cc1ccc2cc[n+](cc2c1)[O-] 271570a_100016259895_100009816120 [0,1,0,0,0,0|2,0,1]=4 1040 B15R2.1282 CC=Cc1ccc2ccc(=O)oc2c1 271570a_100016259895_100009993525 [0,1,0,0,0,0|2,0,1]=4 1041 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)N 271570a_100016259895_100010090036 [0,1,0,0,0,0|1,0,1]=3 1042 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)O 271570a_100016259895_100009816537 [0,1,0,0,0,0|1,0,1]=3 1043 B15R2.1282 CC=Cc1ccc2ccc(cc2n1)O 271570a_100016259895_100000079174 [0,1,0,0,0,0|2,0,1]=4 1044 B15R2.1282 CC=Cc1ccc2ccc(nc2c1)C 271570a_100016259895_100009817087 [0,1,0,0,0,0|2,0,1]=4 1045 B15R2.1282 CC=Cc1ccc2ccc(nc2c1)N 271570a_100016259895_100010187616 [0,1,0,0,0,0|2,0,1]=4 1046 B15R2.1282 CC=Cc1ccc2ccc(nc2c1)O 271570a_100016259895_100000690401 [0,1,0,0,0,0|2,0,1]=4 1047 B15R2.1282 CC=Cc1ccc2cnc(cc2c1)F 271570a_100016259895_100010291885 [0,1,0,0,0,0|2,0,1]=4 1048 B15R2.1282 CC=Cc1ccc2cnc(cc2c1)N 271570a_100016259895_100009817123 [0,1,0,0,0,0|2,0,1]=4 1049 B15R2.1282 CC=Cc1ccc2cnc(cc2c1)O 271570a_100016259895_100009817130 [0,1,0,0,0,0|2,0,1]=4 1050 B15R2.1282 CC=Cc1ccc2ncc(cc2c1)Br 271570a_100016259895_200010254249 [0,1,0,0,0,0|2,0,1]=4 1051 B15R2.1282 CC=Cc1ccc2ncc(cc2c1)C 271570a_100016259895_100009817055 [0,1,0,0,0,0|2,0,1]=4 1052 B15R2.1282 CC=Cc1ccc2ncc(cc2c1)O 271570a_100016259895_100000703654 [0,1,0,0,0,0|2,0,1]=4 1053 B15R2.1282 CC=Cc1cnc2ccc(cc2c1)Br 271570a_100016259895_100010740133 [0,1,0,0,0,0|2,0,1]=4 1054 B15R2.1282 CC=Cc1cnc2ccc(cc2c1)C 271570a_100016259895_100015841224 [0,1,0,0,0,0|2,0,1]=4 1055 B15R2.1282 CC=Cc1cnc2ccc(cc2c1)Cl 271570a_100016259895_100015929906 [0,1,0,0,0,0|2,0,1]=4 1056 B15R2.1282 CC=Cc1cnc2ccc(cc2c1)N 271570a_100016259895_100009888932 [0,1,0,0,0,0|2,0,1]=4 1057 B15R2.1282 CC=Cc1cnc2ccc(cc2c1)O 271570a_100016259895_100010137430 [0,1,0,0,0,0|2,0,1]=4 1058 B15R2.1282 CCNc1cc2[nH]c(=O)ccc2cn1 27a_100015525214_100010563892 [0,1,0,0,0,0|3,0,0]=4 1059 B15R2.1282 CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210202 [0,1,0,0,0,0|1,0,0]=2 1060 B15R2.1282 CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210202 [0,1,0,0,0,0|1,0,0]=2 1061 B15R2.1282 CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210202 [0,1,0,0,0,0|1,0,0]=2 1062 B15R2.1282 CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210202 [0,1,0,0,0,0|1,0,0]=2 1063 B15R2.1282 CCNc1ccc2cnc(nc2c1)C 27a_100015525214_100010233817 [0,1,0,0,0,0|3,0,0]=4 1064 B15R2.1282 CCNc1ccc2cnc(nc2c1)N 27a_100015525214_100010199760 [0,1,0,0,0,0|3,0,0]=4 1065 B15R2.1282 CCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210202 [0,1,0,0,0,0|2,0,0]=3 1066 B15R2.1282 CCNc1ccc2ncc(cc2n1)F 27a_100015525214_100009889179 [0,1,0,0,0,0|3,0,0]=4 1067 B15R2.1282 CCNc1cnc2ccc(cc2n1)O 27a_100015525214_200020640061 [0,1,0,0,0,0|3,0,0]=4 1068 B15R2.1282 CCNc1ncc2ccc(cc2n1)F 27a_100015525214_100000104070 [0,1,0,0,0,0|3,0,0]=4 1069 B15R2.1282 CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210202 [0,1,0,0,0,0|1,0,0]=2 1070 B15R2.1282 CCOc1ccc2c(c1)CC(=O)CC2 34a_200000081095_100000210202 [0,1,0,0,0,0|0,0,3]=4 1071 B15R2.1282 CCOc1ccc2c(c1)CC(=O)CC2 7a_200000081095_100000210202 [0,1,0,0,0,0|0,0,3]=4 1072 B15R2.1282 CCOc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100000210202 [0,1,0,0,0,0|1,0,2]=4 1073 B15R2.1282 CCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210202 [0,1,0,0,0,0|2,0,1]=4 1074 B15R2.1282 CCOc1ccc2c(c1)OC(=O)CC2 7a_100000044819_100000210202 [0,1,0,0,0,0|1,0,2]=4 1075 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210202 [0,1,0,0,0,0|1,0,0]=2 1076 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210202 [0,1,0,0,0,0|1,0,0]=2 1077 B15R2.1282 CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210202 [0,1,0,0,0,0|0,0,0]=1 1078 B15R2.1282 CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210202 [0,1,0,0,0,0|0,0,0]=1 1079 B15R2.1282 CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210202 [0,1,0,0,0,0|0,0,0]=1 1080 B15R2.1282 CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210202 [0,1,0,0,0,0|0,0,0]=1 1081 B15R2.1282 CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210202 [0,1,0,0,0,0|0,0,0]=1 1082 B15R2.1282 CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210202 [0,1,0,0,0,0|0,0,0]=1 1083 B15R2.1282 CCOc1ccc2ccc(cc2n1)O 271570a_203496583355_200010874322 [0,1,0,0,0,0|1,0,0]=2 1084 B15R2.1282 CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210202 [0,1,0,0,0,0|1,0,0]=2 1085 B15R2.1282 CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210202 [0,1,0,0,0,0|1,0,0]=2 1086 B15R2.1282 CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210202 [0,1,0,0,0,0|1,0,0]=2 1087 B15R2.1282 CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210202 [0,1,0,0,0,0|1,0,0]=2 1088 B15R2.1282 CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210202 [0,1,0,0,0,0|1,0,0]=2 1089 B15R2.1282 CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210202 [0,1,0,0,0,0|1,0,0]=2 1090 B15R2.1282 CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210202 [0,1,0,0,0,0|1,0,0]=2 1091 B15R2.1282 CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210202 [0,1,0,0,0,0|1,0,0]=2 1092 B15R2.1282 CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210202 [0,1,0,0,0,0|1,0,0]=2 1093 B15R2.1282 CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210202 [0,1,0,0,0,0|1,0,0]=2 1094 B15R2.1282 CCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210202 [0,1,0,0,0,0|2,0,0]=3 1095 B15R2.1282 CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210202 [0,1,0,0,0,0|1,0,0]=2 1096 B15R2.1282 CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210202 [0,1,0,0,0,0|1,0,0]=2 1097 B15R2.1282 CCSc1cc2[nH]c(=O)ccc2cn1 62a_100000210202_100010563892 [0,1,0,0,0,0|2,1,0]=4 1098 B15R2.1282 CCSc1cc2cc(ccc2cn1)F 62a_100000210202_100009828686 [0,1,0,0,0,0|1,1,0]=3 1099 B15R2.1282 CCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210202 [0,1,0,0,0,0|1,1,0]=3 1100 B15R2.1282 CCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210202_100009816120 [0,1,0,0,0,0|1,1,0]=3 1101 B15R2.1282 CCSc1ccc2ccc(=O)oc2c1 62a_100000210202_100009993525 [0,1,0,0,0,0|1,1,0]=3 1102 B15R2.1282 CCSc1ccc2ccc(cc2c1)N 62a_100000210202_100010090036 [0,1,0,0,0,0|0,1,0]=2 1103 B15R2.1282 CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210202 [0,1,0,0,0,0|0,1,0]=2 1104 B15R2.1282 CCSc1ccc2ccc(cc2c1)O 62a_100000210202_100009816537 [0,1,0,0,0,0|0,1,0]=2 1105 B15R2.1282 CCSc1ccc2ccc(cc2n1)O 62a_100000210202_100000079174 [0,1,0,0,0,0|1,1,0]=3 1106 B15R2.1282 CCSc1ccc2ccc(nc2c1)C 62a_100000210202_100009817087 [0,1,0,0,0,0|1,1,0]=3 1107 B15R2.1282 CCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000210202 [0,1,0,0,0,0|1,1,0]=3 1108 B15R2.1282 CCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210202 [0,1,0,0,0,0|1,1,0]=3 1109 B15R2.1282 CCSc1ccc2ccc(nc2c1)O 62a_100000210202_100000690401 [0,1,0,0,0,0|1,1,0]=3 1110 B15R2.1282 CCSc1ccc2ccc(nc2n1)N 62a_100000117679_100000210202 [0,1,0,0,0,0|2,1,0]=4 1111 B15R2.1282 CCSc1ccc2ccc(nc2n1)N 62a_100000210202_100000117679 [0,1,0,0,0,0|2,1,0]=4 1112 B15R2.1282 CCSc1ccc2ccc(nc2n1)O 62a_100000210202_200010218124 [0,1,0,0,0,0|2,1,0]=4 1113 B15R2.1282 CCSc1ccc2cnc(cc2c1)F 62a_100000210202_100010291885 [0,1,0,0,0,0|1,1,0]=3 1114 B15R2.1282 CCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210202 [0,1,0,0,0,0|1,1,0]=3 1115 B15R2.1282 CCSc1ccc2cnc(cc2c1)N 62a_100000210202_100009817123 [0,1,0,0,0,0|1,1,0]=3 1116 B15R2.1282 CCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210202 [0,1,0,0,0,0|1,1,0]=3 1117 B15R2.1282 CCSc1ccc2cnc(cc2c1)O 62a_100000210202_100009817130 [0,1,0,0,0,0|1,1,0]=3 1118 B15R2.1282 CCSc1ccc2cnc(nc2c1)C 62a_100000210202_100010233817 [0,1,0,0,0,0|2,1,0]=4 1119 B15R2.1282 CCSc1ccc2cnc(nc2c1)C 62a_100010233817_100000210202 [0,1,0,0,0,0|2,1,0]=4 1120 B15R2.1282 CCSc1ccc2cnc(nc2c1)N 62a_100000210202_100010199760 [0,1,0,0,0,0|2,1,0]=4 1121 B15R2.1282 CCSc1ccc2cnc(nc2c1)N 62a_100010199760_100000210202 [0,1,0,0,0,0|2,1,0]=4 1122 B15R2.1282 CCSc1ccc2ncc(cc2c1)Br 62a_100000210202_200010254249 [0,1,0,0,0,0|1,1,0]=3 1123 B15R2.1282 CCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210202 [0,1,0,0,0,0|1,1,0]=3 1124 B15R2.1282 CCSc1ccc2ncc(cc2c1)C 62a_100000210202_100009817055 [0,1,0,0,0,0|1,1,0]=3 1125 B15R2.1282 CCSc1ccc2ncc(cc2c1)O 62a_100000210202_100000703654 [0,1,0,0,0,0|1,1,0]=3 1126 B15R2.1282 CCSc1ccc2ncc(cc2n1)F 62a_100000210202_100009889179 [0,1,0,0,0,0|2,1,0]=4 1127 B15R2.1282 CCSc1ccc2ncc(cc2n1)F 62a_100009889179_100000210202 [0,1,0,0,0,0|2,1,0]=4 1128 B15R2.1282 CCSc1ccc2ncc(nc2c1)N 62a_100000210202_100010090528 [0,1,0,0,0,0|2,1,0]=4 1129 B15R2.1282 CCSc1ccc2ncc(nc2c1)N 62a_100010090528_100000210202 [0,1,0,0,0,0|2,1,0]=4 1130 B15R2.1282 CCSc1ccc2ncc(nc2c1)O 62a_100000210202_100010000190 [0,1,0,0,0,0|2,1,0]=4 1131 B15R2.1282 CCSc1cnc2ccc(cc2c1)Br 62a_100000210202_100010740133 [0,1,0,0,0,0|1,1,0]=3 1132 B15R2.1282 CCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210202 [0,1,0,0,0,0|1,1,0]=3 1133 B15R2.1282 CCSc1cnc2ccc(cc2c1)C 62a_100000210202_100015841224 [0,1,0,0,0,0|1,1,0]=3 1134 B15R2.1282 CCSc1cnc2ccc(cc2c1)Cl 62a_100000210202_100015929906 [0,1,0,0,0,0|1,1,0]=3 1135 B15R2.1282 CCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210202 [0,1,0,0,0,0|1,1,0]=3 1136 B15R2.1282 CCSc1cnc2ccc(cc2c1)N 62a_100000210202_100009888932 [0,1,0,0,0,0|1,1,0]=3 1137 B15R2.1282 CCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210202 [0,1,0,0,0,0|1,1,0]=3 1138 B15R2.1282 CCSc1cnc2ccc(cc2c1)O 62a_100000210202_100010137430 [0,1,0,0,0,0|1,1,0]=3 1139 B15R2.1282 CCSc1cnc2ccc(cc2n1)O 62a_100000210202_200020640061 [0,1,0,0,0,0|2,1,0]=4 1140 B15R2.1282 CCSc1cnc2ccc(nc2c1)O 62a_100000210202_100010009477 [0,1,0,0,0,0|2,1,0]=4 1141 B15R2.1282 CCSc1ncc2ccc(cc2n1)F 62a_100000104070_100000210202 [0,1,0,0,0,0|2,1,0]=4 1142 B15R2.1282 CCSc1ncc2ccc(cc2n1)F 62a_100000210202_100000104070 [0,1,0,0,0,0|2,1,0]=4 1143 B15R2.1282 CNCc1ccc2ccc(cc2c1)Br 207a_100102657272_100010200085 [0,1,0,0,0,0|2,0,0]=3 1144 B15R2.1282 CNCc1ccc2ccc(cc2c1)Br 26a_100102657272_100009816537 [0,1,0,0,0,0|2,0,0]=3 1145 B15R2.1282 CNCc1ccc2ccc(cc2c1)Br 270004a_106832991635_100010200085 [0,1,0,0,0,0|2,0,0]=3 1146 B15R2.1282 CNCc1ccc2ccc(cc2n1)Cl 207a_100102657272_100000083681 [0,1,0,0,0,0|3,0,0]=4 1147 B15R2.1282 CNCc1ccc2ccc(cc2n1)Cl 2230a_106832991635_100010196396 [0,1,0,0,0,0|3,0,0]=4 1148 B15R2.1282 CNCc1ccc2ccc(cc2n1)Cl 270004a_106832991635_100000083681 [0,1,0,0,0,0|3,0,0]=4 1149 B15R2.1282 CNCc1ccc2ccc(cc2n1)Cl 34a_100102657272_100010196396 [0,1,0,0,0,0|3,0,0]=4 1150 B15R2.1282 CNCc1ccc2ccc(cc2n1)Cl 7a_106832991635_100010196396 [0,1,0,0,0,0|3,0,0]=4 1151 B15R2.1282 CNCc1ccc2ncc(cc2c1)Br 26a_100102657272_100010137430 [0,1,0,0,0,0|3,0,0]=4 1152 B15R2.1282 CNCc1cnc2ccc(cc2c1)Br 207a_100102657272_100010174008 [0,1,0,0,0,0|3,0,0]=4 1153 B15R2.1282 CNCc1cnc2ccc(cc2c1)Br 270004a_106832991635_100010174008 [0,1,0,0,0,0|3,0,0]=4 1154 B15R2.1282 CNCc1cnc2ccc(cc2c1)Cl 207a_100102657272_200000110299 [0,1,0,0,0,0|3,0,0]=4 1155 B15R2.1282 CNCc1cnc2ccc(cc2c1)Cl 270004a_106832991635_200000110299 [0,1,0,0,0,0|3,0,0]=4 1156 B15R2.1282 COCc1ccc2ccc(cc2n1)Cl 34a_100138415774_100010196396 [0,1,0,0,0,0|3,0,0]=4 1157 B15R2.1282 CSCc1ccc2ccc(cc2n1)Cl 62a_100010196396_200000210301 [0,1,0,0,0,0|3,0,0]=4 1158 B15R2.1282 CSCc1ccc2ccc(cc2n1)Cl 62a_200000210301_100010196396 [0,1,0,0,0,0|3,0,0]=4 1159 B15R2.1282 Cc1ccc2ccc(cc2c1)OCF 34a_100000091598_100015361967 [0,1,0,0,0,0|1,0,0]=2 1160 B15R2.1282 Cc1ccc2ccc(cc2c1)OCF 7a_100000091598_100015361967 [0,1,0,0,0,0|1,0,0]=2 1161 B15R2.1282 Cc1ccc2ccc(cc2n1)OCF 34a_100009867695_100015361967 [0,1,0,0,0,0|2,0,0]=3 1162 B15R2.1282 Cc1ccc2ccc(cc2n1)OCF 7a_100009867695_100015361967 [0,1,0,0,0,0|2,0,0]=3 1163 B15R2.1282 Cc1ccc2ccc(cc2n1)SCF 62a_100009817087_100015361967 [0,1,0,0,0,0|2,1,0]=4 1164 B15R2.1282 Cc1ccc2ccc(cc2n1)SCF 62a_100015361967_100009817087 [0,1,0,0,0,0|2,1,0]=4 1165 B15R2.1282 Cc1ccc2ncc(cc2c1)SCF 62a_100015361967_100015841224 [0,1,0,0,0,0|2,1,0]=4 1166 B15R2.1282 Cc1cnc2ccc(cc2c1)SCF 62a_100015361967_100009817055 [0,1,0,0,0,0|2,1,0]=4 1167 B15R2.1282 FCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100015361967 [0,1,0,0,0,0|2,0,0]=3 1168 B15R2.1282 FCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100015361967 [0,1,0,0,0,0|2,0,0]=3 1169 B15R2.1282 FCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100015361967 [0,1,0,0,0,0|3,0,0]=4 1170 B15R2.1282 FCOc1cc2cc(ccc2cn1)F 34a_200000101709_100015361967 [0,1,0,0,0,0|2,0,0]=3 1171 B15R2.1282 FCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015361967 [0,1,0,0,0,0|1,0,0]=2 1172 B15R2.1282 FCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015361967 [0,1,0,0,0,0|1,0,0]=2 1173 B15R2.1282 FCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100015361967 [0,1,0,0,0,0|2,0,0]=3 1174 B15R2.1282 FCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100015361967 [0,1,0,0,0,0|2,0,0]=3 1175 B15R2.1282 FCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100015361967 [0,1,0,0,0,0|2,0,0]=3 1176 B15R2.1282 FCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100015361967 [0,1,0,0,0,0|2,0,0]=3 1177 B15R2.1282 FCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100015361967 [0,1,0,0,0,0|2,0,0]=3 1178 B15R2.1282 FCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100015361967 [0,1,0,0,0,0|2,0,0]=3 1179 B15R2.1282 FCOc1ccc2ncc(cc2c1)F 34a_100009845357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1180 B15R2.1282 FCOc1ccc2ncc(cc2c1)F 7a_100009845357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1181 B15R2.1282 FCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100015361967 [0,1,0,0,0,0|3,0,0]=4 1182 B15R2.1282 FCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100015361967 [0,1,0,0,0,0|2,0,0]=3 1183 B15R2.1282 FCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100015361967 [0,1,0,0,0,0|2,0,0]=3 1184 B15R2.1282 FCSc1cc2cc(ccc2cn1)F 62a_100009828686_100015361967 [0,1,0,0,0,0|2,1,0]=4 1185 B15R2.1282 FCSc1cc2cc(ccc2cn1)F 62a_100015361967_100009828686 [0,1,0,0,0,0|2,1,0]=4 1186 B15R2.1282 FCSc1ccc2cnc(cc2c1)F 62a_100010291885_100015361967 [0,1,0,0,0,0|2,1,0]=4 1187 B15R2.1282 FCSc1ccc2cnc(cc2c1)F 62a_100015361967_100010291885 [0,1,0,0,0,0|2,1,0]=4 1188 B15R2.1282 FCSc1ccc2ncc(cc2c1)Br 62a_100015361967_200010254249 [0,1,0,0,0,0|2,1,0]=4 1189 B15R2.1282 FCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100015361967 [0,1,0,0,0,0|2,1,0]=4 1190 B15R2.1282 FCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100015361967 [0,1,0,0,0,0|2,1,0]=4 1191 B15R2.1282 FCSc1cnc2ccc(cc2c1)Br 62a_100015361967_100010740133 [0,1,0,0,0,0|2,1,0]=4 1192 B15R2.1282 FCSc1cnc2ccc(cc2c1)Cl 62a_100015361967_100015929906 [0,1,0,0,0,0|2,1,0]=4 1193 B15R2.1282 FCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100015361967 [0,1,0,0,0,0|2,1,0]=4 1194 B15R2.1282 Nc1cc2cc(ccc2cn1)SCF 62a_100009817123_100015361967 [0,1,0,0,0,0|2,1,0]=4 1195 B15R2.1282 Nc1cc2cc(ccc2cn1)SCF 62a_100015361967_100009817123 [0,1,0,0,0,0|2,1,0]=4 1196 B15R2.1282 Nc1ccc2ccc(cc2c1)OCF 34a_100015378740_100015361967 [0,1,0,0,0,0|1,0,0]=2 1197 B15R2.1282 Nc1ccc2ccc(cc2c1)OCF 7a_100015378740_100015361967 [0,1,0,0,0,0|1,0,0]=2 1198 B15R2.1282 Nc1ccc2ccc(cc2c1)SCF 62a_100010090036_100015361967 [0,1,0,0,0,0|1,1,0]=3 1199 B15R2.1282 Nc1ccc2ccc(cc2c1)SCF 62a_100015361967_100010090036 [0,1,0,0,0,0|1,1,0]=3 1200 B15R2.1282 Nc1ccc2ccc(cc2n1)SCF 62a_100010187616_100015361967 [0,1,0,0,0,0|2,1,0]=4 1201 B15R2.1282 Nc1ccc2ncc(cc2c1)SCF 62a_100009888932_100015361967 [0,1,0,0,0,0|2,1,0]=4 1202 B15R2.1282 Nc1ccc2ncc(cc2c1)SCF 62a_100015361967_100009888932 [0,1,0,0,0,0|2,1,0]=4 1203 B15R2.1282 O=c1ccc2ccc(cc2o1)OCF 34a_100000185914_100015361967 [0,1,0,0,0,0|2,0,0]=3 1204 B15R2.1282 O=c1ccc2ccc(cc2o1)OCF 7a_100000185914_100015361967 [0,1,0,0,0,0|2,0,0]=3 1205 B15R2.1282 O=c1ccc2ccc(cc2o1)SCF 62a_100015361967_100009993525 [0,1,0,0,0,0|2,1,0]=4 1206 B15R2.1282 Oc1cc2cc(ccc2cn1)SCF 62a_100015361967_100009817130 [0,1,0,0,0,0|2,1,0]=4 1207 B15R2.1282 Oc1ccc2ccc(cc2c1)NCF 34a_100015378740_100015361967 [0,1,0,0,0,0|2,0,0]=3 1208 B15R2.1282 Oc1ccc2ccc(cc2c1)NCF 7a_100015378740_100015361967 [0,1,0,0,0,0|2,0,0]=3 1209 B15R2.1282 Oc1ccc2ccc(cc2c1)SCF 62a_100015361967_100009816537 [0,1,0,0,0,0|1,1,0]=3 1210 B15R2.1282 Oc1ccc2ccc(cc2n1)SCF 62a_100015361967_100000690401 [0,1,0,0,0,0|2,1,0]=4 1211 B15R2.1282 Oc1ccc2ccc(nc2c1)SCF 62a_100015361967_100000079174 [0,1,0,0,0,0|2,1,0]=4 1212 B15R2.1282 Oc1ccc2ncc(cc2c1)SCF 62a_100015361967_100010137430 [0,1,0,0,0,0|2,1,0]=4 1213 B15R2.1282 Oc1cnc2ccc(cc2c1)SCF 62a_100015361967_100000703654 [0,1,0,0,0,0|2,1,0]=4 1214 B15R2.1282 [13CH3]SCc1ccc2ccc(cc2n1)Cl 62a_100010196396_200025704644 [0,1,0,0,0,0|3,0,0]=4 1215 B15R2.1282 [13CH3]SCc1ccc2ccc(cc2n1)Cl 62a_200025704644_100010196396 [0,1,0,0,0,0|3,0,0]=4 1216 B15R2.1282 [O-][n+]1ccc2ccc(cc2c1)SCF 62a_100015361967_100009816120 [0,1,0,0,0,0|2,1,0]=4 1217 B15R2.1290 C=C=Cc1ccc2cccc(c2c1)C 271570a_100015277604_100010089936 [0,1,0,0,0,0|1,0,2]=4 1218 B15R2.1290 C=C=Cc1ccc2cccc(c2c1)N 271570a_100015277604_100010090012 [0,1,0,0,0,0|1,0,2]=4 1219 B15R2.1290 C=C=Cc1ccc2cccc(c2c1)O 271570a_100015277604_100010089991 [0,1,0,0,0,0|1,0,2]=4 1220 B15R2.1290 CC=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100016259895_100000746092 [0,1,0,0,0,0|2,0,1]=4 1221 B15R2.1290 CC=Cc1ccc2cccc(c2c1)C 271570a_100016259895_100010089936 [0,1,0,0,0,0|1,0,1]=3 1222 B15R2.1290 CC=Cc1ccc2cccc(c2c1)N 271570a_100016259895_100010090012 [0,1,0,0,0,0|1,0,1]=3 1223 B15R2.1290 CC=Cc1ccc2cccc(c2c1)O 271570a_100016259895_100010089991 [0,1,0,0,0,0|1,0,1]=3 1224 B15R2.1290 CC=Cc1ccc2cccc(c2n1)C 271570a_100016259895_100012002297 [0,1,0,0,0,0|2,0,1]=4 1225 B15R2.1290 CC=Cc1ccc2cccc(c2n1)F 271570a_100016259895_100012017632 [0,1,0,0,0,0|2,0,1]=4 1226 B15R2.1290 CC=Cc1ccc2cccc(c2n1)O 271570a_100016259895_100010153751 [0,1,0,0,0,0|2,0,1]=4 1227 B15R2.1290 CC=Cc1ccc2ccnc(c2c1)C 271570a_100016259895_200010739692 [0,1,0,0,0,0|2,0,1]=4 1228 B15R2.1290 CC=Cc1ccc2ccnc(c2c1)N 271570a_100016259895_100012352255 [0,1,0,0,0,0|2,0,1]=4 1229 B15R2.1290 CC=Cc1ccc2ccnc(c2c1)O 271570a_100016259895_100000010956 [0,1,0,0,0,0|2,0,1]=4 1230 B15R2.1290 CC=Cc1ccc2cncc(c2c1)O 271570a_100016259895_100010136424 [0,1,0,0,0,0|2,0,1]=4 1231 B15R2.1290 CC=Cc1ccc2nccc(c2c1)C 271570a_100016259895_100009817033 [0,1,0,0,0,0|2,0,1]=4 1232 B15R2.1290 CC=Cc1ccc2nccc(c2c1)Cl 271570a_100016259895_100011310491 [0,1,0,0,0,0|2,0,1]=4 1233 B15R2.1290 CC=Cc1ccc2nccc(c2c1)N 271570a_100016259895_100011620571 [0,1,0,0,0,0|2,0,1]=4 1234 B15R2.1290 CC=Cc1ccc2occc(=O)c2c1 271570a_100016259895_100009813387 [0,1,0,0,0,0|2,0,1]=4 1235 B15R2.1290 CC=Cc1cnc2cccc(c2c1)N 271570a_100016259895_100010264086 [0,1,0,0,0,0|2,0,1]=4 1236 B15R2.1290 CC=Cc1cnc2cccc(c2c1)O 271570a_100016259895_200010153752 [0,1,0,0,0,0|2,0,1]=4 1237 B15R2.1290 CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210202 [0,1,0,0,0,0|1,0,0]=2 1238 B15R2.1290 CCNc1ccc2cccc(c2n1)C 27a_100015525214_100012002297 [0,1,0,0,0,0|2,0,0]=3 1239 B15R2.1290 CCNc1ccc2cccc(c2n1)O 27a_100015525214_100010153751 [0,1,0,0,0,0|2,0,0]=3 1240 B15R2.1290 CCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210202 [0,1,0,0,0,0|2,0,0]=3 1241 B15R2.1290 CCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210202 [0,1,0,0,0,0|2,0,0]=3 1242 B15R2.1290 CCNc1ccc2ncnc(c2c1)C 27a_100015525214_100000700471 [0,1,0,0,0,0|3,0,0]=4 1243 B15R2.1290 CCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210202 [0,1,0,0,0,0|2,0,0]=3 1244 B15R2.1290 CCOc1ccc2c(c1)C(=O)CCC2 34a_100000723779_100000210202 [0,1,0,0,0,0|0,0,3]=4 1245 B15R2.1290 CCOc1ccc2c(c1)C(=O)CCC2 7a_100000723779_100000210202 [0,1,0,0,0,0|0,0,3]=4 1246 B15R2.1290 CCOc1ccc2c(c1)C(=O)CCO2 34a_100000078962_100000210202 [0,1,0,0,0,0|1,0,2]=4 1247 B15R2.1290 CCOc1ccc2c(c1)C(=O)CCO2 7a_100000078962_100000210202 [0,1,0,0,0,0|1,0,2]=4 1248 B15R2.1290 CCOc1ccc2c(c1)C(=O)NCC2 34a_100000081307_100000210202 [0,1,0,0,0,0|1,0,2]=4 1249 B15R2.1290 CCOc1ccc2c(c1)C(=O)NCC2 7a_100000081307_100000210202 [0,1,0,0,0,0|1,0,2]=4 1250 B15R2.1290 CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210202 [0,1,0,0,0,0|0,0,0]=1 1251 B15R2.1290 CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210202 [0,1,0,0,0,0|0,0,0]=1 1252 B15R2.1290 CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210202 [0,1,0,0,0,0|0,0,0]=1 1253 B15R2.1290 CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210202 [0,1,0,0,0,0|0,0,0]=1 1254 B15R2.1290 CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210202 [0,1,0,0,0,0|0,0,0]=1 1255 B15R2.1290 CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210202 [0,1,0,0,0,0|0,0,0]=1 1256 B15R2.1290 CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210202 [0,1,0,0,0,0|0,0,0]=1 1257 B15R2.1290 CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210202 [0,1,0,0,0,0|0,0,0]=1 1258 B15R2.1290 CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210202 [0,1,0,0,0,0|1,0,0]=2 1259 B15R2.1290 CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210202 [0,1,0,0,0,0|1,0,0]=2 1260 B15R2.1290 CCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210202 [0,1,0,0,0,0|2,0,0]=3 1261 B15R2.1290 CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210202 [0,1,0,0,0,0|1,0,0]=2 1262 B15R2.1290 CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210202 [0,1,0,0,0,0|1,0,0]=2 1263 B15R2.1290 CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210202 [0,1,0,0,0,0|1,0,0]=2 1264 B15R2.1290 CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210202 [0,1,0,0,0,0|1,0,0]=2 1265 B15R2.1290 CCOc1ccc2nccc(c2c1)O 271570a_203496583355_100012360437 [0,1,0,0,0,0|1,0,0]=2 1266 B15R2.1290 CCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210202_100000746092 [0,1,0,0,0,0|1,1,0]=3 1267 B15R2.1290 CCSc1ccc2cccc(c2c1)C 62a_100000210202_100010089936 [0,1,0,0,0,0|0,1,0]=2 1268 B15R2.1290 CCSc1ccc2cccc(c2c1)N 62a_100000210202_100010090012 [0,1,0,0,0,0|0,1,0]=2 1269 B15R2.1290 CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210202 [0,1,0,0,0,0|0,1,0]=2 1270 B15R2.1290 CCSc1ccc2cccc(c2c1)O 62a_100000210202_100010089991 [0,1,0,0,0,0|0,1,0]=2 1271 B15R2.1290 CCSc1ccc2cccc(c2n1)C 62a_100000210202_100012002297 [0,1,0,0,0,0|1,1,0]=3 1272 B15R2.1290 CCSc1ccc2cccc(c2n1)F 62a_100000210202_100012017632 [0,1,0,0,0,0|1,1,0]=3 1273 B15R2.1290 CCSc1ccc2cccc(c2n1)O 62a_100000210202_100000013812 [0,1,0,0,0,0|1,1,0]=3 1274 B15R2.1290 CCSc1ccc2ccnc(c2c1)C 62a_100000210202_200010739692 [0,1,0,0,0,0|1,1,0]=3 1275 B15R2.1290 CCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000210202 [0,1,0,0,0,0|1,1,0]=3 1276 B15R2.1290 CCSc1ccc2ccnc(c2c1)N 62a_100000210202_100012352255 [0,1,0,0,0,0|1,1,0]=3 1277 B15R2.1290 CCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210202 [0,1,0,0,0,0|1,1,0]=3 1278 B15R2.1290 CCSc1ccc2ccnc(c2c1)O 62a_100000210202_100000010956 [0,1,0,0,0,0|1,1,0]=3 1279 B15R2.1290 CCSc1ccc2cn[nH]c(=O)c2c1 62a_100000210202_100015864262 [0,1,0,0,0,0|2,1,0]=4 1280 B15R2.1290 CCSc1ccc2cncc(c2c1)O 62a_100000210202_100010136424 [0,1,0,0,0,0|1,1,0]=3 1281 B15R2.1290 CCSc1ccc2nc[nH]c(=O)c2c1 62a_100000210202_100000755678 [0,1,0,0,0,0|2,1,0]=4 1282 B15R2.1290 CCSc1ccc2nccc(=O)n2c1 62a_100000210202_100010178973 [0,1,0,0,0,0|2,1,0]=4 1283 B15R2.1290 CCSc1ccc2nccc(=O)n2c1 62a_100010178973_100000210202 [0,1,0,0,0,0|2,1,0]=4 1284 B15R2.1290 CCSc1ccc2nccc(c2c1)C 62a_100000210202_100009817033 [0,1,0,0,0,0|1,1,0]=3 1285 B15R2.1290 CCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210202 [0,1,0,0,0,0|1,1,0]=3 1286 B15R2.1290 CCSc1ccc2nccc(c2c1)Cl 62a_100000210202_100011310491 [0,1,0,0,0,0|1,1,0]=3 1287 B15R2.1290 CCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210202 [0,1,0,0,0,0|1,1,0]=3 1288 B15R2.1290 CCSc1ccc2nccc(c2c1)N 62a_100000210202_100011620571 [0,1,0,0,0,0|1,1,0]=3 1289 B15R2.1290 CCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210202 [0,1,0,0,0,0|1,1,0]=3 1290 B15R2.1290 CCSc1ccc2ncnc(c2c1)C 62a_100000210202_100000700471 [0,1,0,0,0,0|2,1,0]=4 1291 B15R2.1290 CCSc1ccc2ncnc(c2c1)C 62a_100000700471_100000210202 [0,1,0,0,0,0|2,1,0]=4 1292 B15R2.1290 CCSc1ccc2ncnc(c2c1)Cl 62a_100000210202_100000757566 [0,1,0,0,0,0|2,1,0]=4 1293 B15R2.1290 CCSc1ccc2ncnc(c2c1)N 62a_100000210202_100011390335 [0,1,0,0,0,0|2,1,0]=4 1294 B15R2.1290 CCSc1ccc2ncnc(c2c1)N 62a_100011390335_100000210202 [0,1,0,0,0,0|2,1,0]=4 1295 B15R2.1290 CCSc1ccc2nncc(c2c1)O 62a_100000210202_100010074700 [0,1,0,0,0,0|2,1,0]=4 1296 B15R2.1290 CCSc1ccc2occc(=O)c2c1 62a_100000210202_100009813387 [0,1,0,0,0,0|1,1,0]=3 1297 B15R2.1290 CCSc1cnc2cc[nH]c(=O)c2c1 62a_100000210202_100010134370 [0,1,0,0,0,0|2,1,0]=4 1298 B15R2.1290 CCSc1cnc2cccc(c2c1)N 62a_100000210202_100010264086 [0,1,0,0,0,0|1,1,0]=3 1299 B15R2.1290 CCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210202 [0,1,0,0,0,0|1,1,0]=3 1300 B15R2.1290 CCSc1cnc2cccc(c2c1)O 62a_100000210202_200010153752 [0,1,0,0,0,0|1,1,0]=3 1301 B15R2.1290 CCSc1ncc2cccc(c2n1)O 62a_100000210202_100010674811 [0,1,0,0,0,0|2,1,0]=4 1302 B15R2.1290 CNCc1ccc2cccc(c2c1)Br 26a_100102657272_100010169565 [0,1,0,0,0,0|2,0,0]=3 1303 B15R2.1290 CNCc1ccc2cccc(c2n1)Cl 207a_100102657272_200000068262 [0,1,0,0,0,0|3,0,0]=4 1304 B15R2.1290 CNCc1ccc2cccc(c2n1)Cl 270004a_106832991635_200000068262 [0,1,0,0,0,0|3,0,0]=4 1305 B15R2.1290 CNCc1ccc2cccc(c2n1)F 207a_100102657272_100000068176 [0,1,0,0,0,0|3,0,0]=4 1306 B15R2.1290 CNCc1ccc2cccc(c2n1)F 270004a_106832991635_100000068176 [0,1,0,0,0,0|3,0,0]=4 1307 B15R2.1290 CNCc1ccc2ccnc(c2c1)Cl 207a_100102657272_100000094387 [0,1,0,0,0,0|3,0,0]=4 1308 B15R2.1290 CNCc1ccc2nccc(c2c1)Br 26a_100102657272_100010204251 [0,1,0,0,0,0|3,0,0]=4 1309 B15R2.1290 Cc1cccc2c1cc(cc2)OCF 34a_200000091600_100015361967 [0,1,0,0,0,0|1,0,0]=2 1310 B15R2.1290 Cc1cccc2c1cc(cc2)OCF 7a_200000091600_100015361967 [0,1,0,0,0,0|1,0,0]=2 1311 B15R2.1290 Cc1cccc2c1cc(cc2)SCF 62a_100015361967_100010089936 [0,1,0,0,0,0|1,1,0]=3 1312 B15R2.1290 Cc1cccc2c1nc(cc2)SCF 62a_100015361967_100012002297 [0,1,0,0,0,0|2,1,0]=4 1313 B15R2.1290 Cc1ccnc2c1cc(cc2)SCF 62a_100009817033_100015361967 [0,1,0,0,0,0|2,1,0]=4 1314 B15R2.1290 Cc1ccnc2c1cc(cc2)SCF 62a_100015361967_100009817033 [0,1,0,0,0,0|2,1,0]=4 1315 B15R2.1290 Cc1nccc2c1cc(cc2)SCF 62a_100015361967_200010739692 [0,1,0,0,0,0|2,1,0]=4 1316 B15R2.1290 Cc1nccc2c1cc(cc2)SCF 62a_200010739692_100015361967 [0,1,0,0,0,0|2,1,0]=4 1317 B15R2.1290 FCNc1ccc2nccc(c2c1)Br 34a_100010074812_100015361967 [0,1,0,0,0,0|3,0,0]=4 1318 B15R2.1290 FCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100015361967 [0,1,0,0,0,0|3,0,0]=4 1319 B15R2.1290 FCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015361967 [0,1,0,0,0,0|1,0,0]=2 1320 B15R2.1290 FCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015361967 [0,1,0,0,0,0|1,0,0]=2 1321 B15R2.1290 FCOc1ccc2cccc(c2c1)F 34a_100000091619_100015361967 [0,1,0,0,0,0|1,0,0]=2 1322 B15R2.1290 FCOc1ccc2cccc(c2c1)F 7a_100000091619_100015361967 [0,1,0,0,0,0|1,0,0]=2 1323 B15R2.1290 FCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100015361967 [0,1,0,0,0,0|2,0,0]=3 1324 B15R2.1290 FCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100015361967 [0,1,0,0,0,0|2,0,0]=3 1325 B15R2.1290 FCOc1ccc2nccc(c2c1)Br 34a_100010204251_100015361967 [0,1,0,0,0,0|2,0,0]=3 1326 B15R2.1290 FCOc1ccc2nccc(c2c1)Br 7a_100010204251_100015361967 [0,1,0,0,0,0|2,0,0]=3 1327 B15R2.1290 FCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100015361967 [0,1,0,0,0,0|2,0,0]=3 1328 B15R2.1290 FCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100015361967 [0,1,0,0,0,0|2,0,0]=3 1329 B15R2.1290 FCSc1ccc2cccc(c2n1)F 62a_100015361967_100012017632 [0,1,0,0,0,0|2,1,0]=4 1330 B15R2.1290 FCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100015361967 [0,1,0,0,0,0|2,1,0]=4 1331 B15R2.1290 FCSc1ccc2nccc(c2c1)Cl 62a_100015361967_100011310491 [0,1,0,0,0,0|2,1,0]=4 1332 B15R2.1290 Nc1cccc2c1cc(cc2)OCF 34a_100000034012_100015361967 [0,1,0,0,0,0|1,0,0]=2 1333 B15R2.1290 Nc1cccc2c1cc(cc2)OCF 7a_100000034012_100015361967 [0,1,0,0,0,0|1,0,0]=2 1334 B15R2.1290 Nc1cccc2c1cc(cc2)SCF 62a_100010090012_100015361967 [0,1,0,0,0,0|1,1,0]=3 1335 B15R2.1290 Nc1cccc2c1cc(cc2)SCF 62a_100015361967_100010090012 [0,1,0,0,0,0|1,1,0]=3 1336 B15R2.1290 Nc1cccc2c1cc(cn2)SCF 62a_100010264086_100015361967 [0,1,0,0,0,0|2,1,0]=4 1337 B15R2.1290 Nc1cccc2c1cc(cn2)SCF 62a_100015361967_100010264086 [0,1,0,0,0,0|2,1,0]=4 1338 B15R2.1290 Nc1ccnc2c1cc(cc2)SCF 62a_100011620571_100015361967 [0,1,0,0,0,0|2,1,0]=4 1339 B15R2.1290 Nc1ccnc2c1cc(cc2)SCF 62a_100015361967_100011620571 [0,1,0,0,0,0|2,1,0]=4 1340 B15R2.1290 Nc1nccc2c1cc(cc2)SCF 62a_100012352255_100015361967 [0,1,0,0,0,0|2,1,0]=4 1341 B15R2.1290 Nc1nccc2c1cc(cc2)SCF 62a_100015361967_100012352255 [0,1,0,0,0,0|2,1,0]=4 1342 B15R2.1290 O=c1[nH]cnc2c1cc(cc2)OCF 7a_100011934087_100015361967 [0,1,0,0,0,0|3,0,0]=4 1343 B15R2.1290 O=c1cc[nH]c2c1cc(cc2)SCF 62a_100015361967_100000746092 [0,1,0,0,0,0|2,1,0]=4 1344 B15R2.1290 O=c1ccoc2c1cc(cc2)NCF 34a_100000088200_100015361967 [0,1,0,0,0,0|3,0,0]=4 1345 B15R2.1290 O=c1ccoc2c1cc(cc2)SCF 62a_100015361967_100009813387 [0,1,0,0,0,0|2,1,0]=4 1346 B15R2.1290 Oc1cccc2c1cc(cc2)NCF 34a_100132313934_100015361967 [0,1,0,0,0,0|2,0,0]=3 1347 B15R2.1290 Oc1cccc2c1cc(cc2)SCF 62a_100015361967_100010089991 [0,1,0,0,0,0|1,1,0]=3 1348 B15R2.1290 Oc1cccc2c1cc(cn2)SCF 62a_100015361967_200010153752 [0,1,0,0,0,0|2,1,0]=4 1349 B15R2.1290 Oc1cccc2c1nc(cc2)SCF 62a_100015361967_100000013812 [0,1,0,0,0,0|2,1,0]=4 1350 B15R2.1290 Oc1cncc2c1cc(cc2)SCF 62a_100015361967_100010136424 [0,1,0,0,0,0|2,1,0]=4 1351 B15R2.1290 Oc1nccc2c1cc(cc2)SCF 62a_100015361967_100000010956 [0,1,0,0,0,0|2,1,0]=4 1352 B15R2.1601 CC(N[13CH3])c1ccc2ccccc2c1 2230a_100000737073_200025704644 [0,1,0,0,0,0|2,0,0]=3 1353 B15R2.1601 CC(O[13CH3])c1ccc2ccccc2c1 34a_100011215343_200025704644 [0,1,0,0,0,0|2,0,0]=3 1354 B15R2.1601 CC(O[13CH3])c1ccc2ccccc2c1 7a_100011215343_200025704644 [0,1,0,0,0,0|2,0,0]=3 1355 B15R2.1601 CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210202 [0,1,0,0,0,0|2,0,1]=4 1356 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210202 [0,1,0,0,0,0|1,0,0]=2 1357 B15R2.1601 CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210202 [0,1,0,0,0,0|2,0,0]=3 1358 B15R2.1601 CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210202 [0,1,0,0,0,0|2,0,0]=3 1359 B15R2.1601 CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210202 [0,1,0,0,0,0|2,0,0]=3 1360 B15R2.1601 CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210202 [0,1,0,0,0,0|2,0,0]=3 1361 B15R2.1601 CCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210202 [0,1,0,0,0,0|3,0,0]=4 1362 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210202 [0,1,0,0,0,0|1,0,0]=2 1363 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000220149_200000210301 [0,1,0,0,0,0|1,0,0]=2 1364 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000204670 [0,1,0,0,0,0|1,0,0]=2 1365 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000220149_200000210301 [0,1,0,0,0,0|1,0,0]=2 1366 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210202 [0,1,0,0,0,0|1,0,0]=2 1367 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000220149_200000210301 [0,1,0,0,0,0|1,0,0]=2 1368 B15R2.1601 CCN(C)c1ccc2ccccc2c1 7a_100000220149_200000210301 [0,1,0,0,0,0|1,0,0]=2 1369 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 2230a_100000220149_200025704644 [0,1,0,0,0,0|1,0,0]=2 1370 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 269982a_100000220149_200025704644 [0,1,0,0,0,0|1,0,0]=2 1371 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 34a_100000220149_200025704644 [0,1,0,0,0,0|1,0,0]=2 1372 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 7a_100000220149_200025704644 [0,1,0,0,0,0|1,0,0]=2 1373 B15R2.1601 CN(CF)c1ccc2ccccc2c1 269982a_100000181211_100015361967 [0,1,0,0,0,0|2,0,0]=3 1374 B15R2.1601 CN(CF)c1ccc2ccccc2c1 34a_100000181211_100015361967 [0,1,0,0,0,0|2,0,0]=3 1375 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 11a_106832991635_100000210637 [0,1,0,0,0,0|2,0,0]=3 1376 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 1626a_100102657272_100000210637 [0,1,0,0,0,0|2,0,0]=3 1377 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 240690a_100102657272_100000210637 [0,1,0,0,0,0|2,0,0]=3 1378 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 527a_100102657272_100000210637 [0,1,0,0,0,0|2,0,0]=3 1379 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 11a_106832991635_100011933907 [0,1,0,0,0,0|3,0,0]=4 1380 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 1626a_100102657272_100011933907 [0,1,0,0,0,0|3,0,0]=4 1381 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 240690a_100102657272_100011933907 [0,1,0,0,0,0|3,0,0]=4 1382 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 527a_100102657272_100011933907 [0,1,0,0,0,0|3,0,0]=4 1383 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 11a_106832991635_100000070124 [0,1,0,0,0,0|3,0,0]=4 1384 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 1626a_100102657272_100000070124 [0,1,0,0,0,0|3,0,0]=4 1385 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 240690a_100102657272_100000070124 [0,1,0,0,0,0|3,0,0]=4 1386 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 527a_100102657272_100000070124 [0,1,0,0,0,0|3,0,0]=4 1387 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 11a_106832991635_100011935275 [0,1,0,0,0,0|3,0,0]=4 1388 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 1626a_100102657272_100011935275 [0,1,0,0,0,0|3,0,0]=4 1389 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 240690a_100102657272_100011935275 [0,1,0,0,0,0|3,0,0]=4 1390 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 527a_100102657272_100011935275 [0,1,0,0,0,0|3,0,0]=4 1391 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 11a_106832991635_100011216044 [0,1,0,0,0,0|3,0,0]=4 1392 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 1626a_100102657272_100011216044 [0,1,0,0,0,0|3,0,0]=4 1393 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 240690a_100102657272_100011216044 [0,1,0,0,0,0|3,0,0]=4 1394 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 527a_100102657272_100011216044 [0,1,0,0,0,0|3,0,0]=4 1395 B15R2.1601 CNC(C)c1cc2ccccc2cn1 269862a_106832991636_200000084103 [0,1,0,0,0,0|3,0,0]=4 1396 B15R2.1601 CNC(C)c1ccc2ccccc2c1 2230a_100000737073_200000210301 [0,1,0,0,0,0|2,0,0]=3 1397 B15R2.1601 CNC(C)c1ccc2ccccc2c1 269862a_106832991636_100000210793 [0,1,0,0,0,0|2,0,0]=3 1398 B15R2.1601 CNC(C)c1ccc2ccccc2n1 269862a_106832991636_100000684817 [0,1,0,0,0,0|3,0,0]=4 1399 B15R2.1601 CNC(C)c1ccc2ncccc2c1 269862a_106832991636_100011286481 [0,1,0,0,0,0|3,0,0]=4 1400 B15R2.1601 CNC(C)c1cnc2ccccc2c1 269862a_106832991636_100011376191 [0,1,0,0,0,0|3,0,0]=4 1401 B15R2.1601 COC(C)c1ccc2ccccc2c1 34a_100011215343_200000210301 [0,1,0,0,0,0|2,0,0]=3 1402 B15R2.1601 COC(C)c1ccc2ccccc2c1 7a_100011215343_200000210301 [0,1,0,0,0,0|2,0,0]=3 1403 B15R2.1601 O=C(CF)c1ccc2ccccc2c1 1458a_100000210637_100015361967 [0,1,0,0,0,0|2,0,0]=3 1404 B15R2.1601 O=C(CF)c1ccc2cccnc2c1 1458a_100011933907_100015361967 [0,1,0,0,0,0|3,0,0]=4 1405 B15R2.1601 O=C(CF)c1ccc2ccncc2c1 1458a_100000070124_100015361967 [0,1,0,0,0,0|3,0,0]=4 1406 B15R2.1601 O=C(CF)c1ccc2cnccc2c1 1458a_100011935275_100015361967 [0,1,0,0,0,0|3,0,0]=4 1407 B15R2.1601 O=C(CF)c1ccc2ncccc2c1 1458a_100011216044_100015361967 [0,1,0,0,0,0|3,0,0]=4 1408 B15R2.1668 CC(=Cc1cc2ccccc2cn1)C 271570a_100102525489_100000047361 [0,1,0,0,0,0|2,0,1]=4 1409 B15R2.1668 CC(=Cc1ccc2ccccc2c1)C 271570a_100102525489_100000233703 [0,1,0,0,0,0|1,0,1]=3 1410 B15R2.1668 CC(=Cc1ccc2ccccc2n1)C 271570a_100102525489_100011291633 [0,1,0,0,0,0|2,0,1]=4 1411 B15R2.1668 CC(=Cc1ccc2cccnc2c1)C 271570a_100102525489_100009816655 [0,1,0,0,0,0|2,0,1]=4 1412 B15R2.1668 CC(=Cc1ccc2ccncc2c1)C 271570a_100102525489_100000686496 [0,1,0,0,0,0|2,0,1]=4 1413 B15R2.1668 CC(=Cc1ccc2cnccc2c1)C 271570a_100102525489_100009816743 [0,1,0,0,0,0|2,0,1]=4 1414 B15R2.1668 CC(=Cc1ccc2ncccc2c1)C 271570a_100102525489_100000754243 [0,1,0,0,0,0|2,0,1]=4 1415 B15R2.1668 CC(=Cc1cnc2ccccc2c1)C 271570a_100102525489_100000737414 [0,1,0,0,0,0|2,0,1]=4 1416 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,1,0,0,0,0|2,0,1]=4 1417 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,1,0,0,0,0|1,0,1]=3 1418 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,1,0,0,0,0|1,0,1]=3 1419 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,1,0,0,0,0|2,0,1]=4 1420 B15R2.1668 CC(=O)Cc1ccc2cnccc2c1 1458a_100000070787_100020605334 [0,1,0,0,0,0|2,0,1]=4 1421 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100000070787_100000703657 [0,1,0,0,0,0|2,0,1]=4 1422 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200000210301 [0,1,0,0,0,0|2,0,1]=4 1423 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,1,0,0,0,0|1,0,1]=3 1424 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,1,0,0,0,0|1,0,1]=3 1425 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,1,0,0,0,0|1,0,1]=3 1426 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,1,0,0,0,0|1,0,1]=3 1427 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100015343762 [0,1,0,0,0,0|2,0,1]=4 1428 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100015343762 [0,1,0,0,0,0|2,0,1]=4 1429 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000070787 [0,1,0,0,0,0|2,0,1]=4 1430 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100103153847 [0,1,0,0,0,0|2,0,1]=4 1431 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100015343762 [0,1,0,0,0,0|2,0,1]=4 1432 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100015343762 [0,1,0,0,0,0|2,0,1]=4 1433 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000070787 [0,1,0,0,0,0|2,0,1]=4 1434 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100103153847 [0,1,0,0,0,0|2,0,1]=4 1435 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100015343762 [0,1,0,0,0,0|2,0,1]=4 1436 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100015343762 [0,1,0,0,0,0|2,0,1]=4 1437 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000070787 [0,1,0,0,0,0|2,0,1]=4 1438 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100103153847 [0,1,0,0,0,0|2,0,1]=4 1439 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100015343762 [0,1,0,0,0,0|2,0,1]=4 1440 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100015343762 [0,1,0,0,0,0|2,0,1]=4 1441 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000070787 [0,1,0,0,0,0|2,0,1]=4 1442 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100103153847 [0,1,0,0,0,0|2,0,1]=4 1443 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,1,0,0,0,0|1,0,0]=2 1444 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,1,0,0,0,0|1,0,0]=2 1445 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 27a_100138425928_100011291633 [0,1,0,0,0,0|2,0,0]=3 1446 B15R2.1668 CC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000210206 [0,1,0,0,0,0|2,0,0]=3 1447 B15R2.1668 CC(C)Nc1ccc2cccnc2n1 27a_100138425928_100000075685 [0,1,0,0,0,0|3,0,0]=4 1448 B15R2.1668 CC(C)Nc1ccc2ccncc2n1 27a_100138425928_100000020162 [0,1,0,0,0,0|3,0,0]=4 1449 B15R2.1668 CC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000210206 [0,1,0,0,0,0|2,0,0]=3 1450 B15R2.1668 CC(C)Nc1ccc2cncnc2c1 27a_100138425928_100010185614 [0,1,0,0,0,0|3,0,0]=4 1451 B15R2.1668 CC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000210206 [0,1,0,0,0,0|2,0,0]=3 1452 B15R2.1668 CC(C)Nc1ccc2ncccc2n1 27a_100138425928_100000073381 [0,1,0,0,0,0|3,0,0]=4 1453 B15R2.1668 CC(C)Nc1ccc2nccnc2c1 27a_100138425928_100011219451 [0,1,0,0,0,0|3,0,0]=4 1454 B15R2.1668 CC(C)Nc1ccc2nccnc2c1 34a_100011219565_100000210206 [0,1,0,0,0,0|3,0,0]=4 1455 B15R2.1668 CC(C)Nc1cnc2ccccc2n1 27a_100138425928_100000756483 [0,1,0,0,0,0|3,0,0]=4 1456 B15R2.1668 CC(C)Nc1ncc2ccccc2n1 27a_100138425928_100000097389 [0,1,0,0,0,0|3,0,0]=4 1457 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,1,0,0,0,0|0,0,0]=1 1458 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,1,0,0,0,0|0,0,0]=1 1459 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210206 [0,1,0,0,0,0|1,0,0]=2 1460 B15R2.1668 CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000210206 [0,1,0,0,0,0|1,0,0]=2 1461 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210206 [0,1,0,0,0,0|1,0,0]=2 1462 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000210206 [0,1,0,0,0,0|1,0,0]=2 1463 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210206 [0,1,0,0,0,0|1,0,0]=2 1464 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000210206 [0,1,0,0,0,0|1,0,0]=2 1465 B15R2.1668 CC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000210206 [0,1,0,0,0,0|2,0,0]=3 1466 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,1,0,0,0,0|1,0,0]=2 1467 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,1,0,0,0,0|1,0,0]=2 1468 B15R2.1668 CC(C)Sc1cc2ccccc2cn1 62a_100000210206_100000047361 [0,1,0,0,0,0|1,1,0]=3 1469 B15R2.1668 CC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000210206 [0,1,0,0,0,0|1,1,0]=3 1470 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,1,0,0,0,0|0,1,0]=2 1471 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100000210206_100011291633 [0,1,0,0,0,0|1,1,0]=3 1472 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000210206 [0,1,0,0,0,0|1,1,0]=3 1473 B15R2.1668 CC(C)Sc1ccc2cccnc2c1 62a_100000210206_100009816655 [0,1,0,0,0,0|1,1,0]=3 1474 B15R2.1668 CC(C)Sc1ccc2cccnc2n1 62a_100000075685_100000210206 [0,1,0,0,0,0|2,1,0]=4 1475 B15R2.1668 CC(C)Sc1ccc2cccnc2n1 62a_100000210206_100000075685 [0,1,0,0,0,0|2,1,0]=4 1476 B15R2.1668 CC(C)Sc1ccc2ccncc2c1 62a_100000210206_100000686496 [0,1,0,0,0,0|1,1,0]=3 1477 B15R2.1668 CC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000210206 [0,1,0,0,0,0|1,1,0]=3 1478 B15R2.1668 CC(C)Sc1ccc2ccncc2n1 62a_100000210206_100000020162 [0,1,0,0,0,0|2,1,0]=4 1479 B15R2.1668 CC(C)Sc1ccc2cnccc2c1 62a_100000210206_100009816743 [0,1,0,0,0,0|1,1,0]=3 1480 B15R2.1668 CC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000210206 [0,1,0,0,0,0|1,1,0]=3 1481 B15R2.1668 CC(C)Sc1ccc2cncnc2c1 62a_100000210206_100010185614 [0,1,0,0,0,0|2,1,0]=4 1482 B15R2.1668 CC(C)Sc1ccc2cncnc2c1 62a_100010185614_100000210206 [0,1,0,0,0,0|2,1,0]=4 1483 B15R2.1668 CC(C)Sc1ccc2cnncc2c1 62a_100000210206_100010198781 [0,1,0,0,0,0|2,1,0]=4 1484 B15R2.1668 CC(C)Sc1ccc2cnncc2c1 62a_100010198781_100000210206 [0,1,0,0,0,0|2,1,0]=4 1485 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100000210206_100011215947 [0,1,0,0,0,0|1,1,0]=3 1486 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000210206 [0,1,0,0,0,0|1,1,0]=3 1487 B15R2.1668 CC(C)Sc1ccc2ncccc2n1 62a_100000210206_100000073381 [0,1,0,0,0,0|2,1,0]=4 1488 B15R2.1668 CC(C)Sc1ccc2nccnc2c1 62a_100000210206_100011219451 [0,1,0,0,0,0|2,1,0]=4 1489 B15R2.1668 CC(C)Sc1ccc2nccnc2c1 62a_100011219451_100000210206 [0,1,0,0,0,0|2,1,0]=4 1490 B15R2.1668 CC(C)Sc1ccc2ncncc2c1 62a_100000210206_100009989443 [0,1,0,0,0,0|2,1,0]=4 1491 B15R2.1668 CC(C)Sc1ccc2ncncc2c1 62a_100009989443_100000210206 [0,1,0,0,0,0|2,1,0]=4 1492 B15R2.1668 CC(C)Sc1ccc2nnccc2c1 62a_100000210206_100010209549 [0,1,0,0,0,0|2,1,0]=4 1493 B15R2.1668 CC(C)Sc1ccc2nnccc2c1 62a_100010209549_100000210206 [0,1,0,0,0,0|2,1,0]=4 1494 B15R2.1668 CC(C)Sc1cnc2ccccc2c1 62a_100000210206_100000737414 [0,1,0,0,0,0|1,1,0]=3 1495 B15R2.1668 CC(C)Sc1cnc2ccccc2n1 62a_100000210206_100000756483 [0,1,0,0,0,0|2,1,0]=4 1496 B15R2.1668 CC(C)Sc1cnc2ccccc2n1 62a_100000756483_100000210206 [0,1,0,0,0,0|2,1,0]=4 1497 B15R2.1668 CC(C)Sc1cnc2cccnc2c1 62a_100000210206_100010246316 [0,1,0,0,0,0|2,1,0]=4 1498 B15R2.1668 CC(C)Sc1cnc2cccnc2c1 62a_100010246316_100000210206 [0,1,0,0,0,0|2,1,0]=4 1499 B15R2.1668 CC(C)Sc1ncc2ccccc2n1 62a_100000210206_100000097389 [0,1,0,0,0,0|2,1,0]=4 1500 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 2230a_100102631434_100009869231 [0,1,0,0,0,0|3,0,0]=4 1501 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 269982a_100102631434_100009869231 [0,1,0,0,0,0|3,0,0]=4 1502 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 270004a_100102631434_100000059776 [0,1,0,0,0,0|3,0,0]=4 1503 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_200000210301 [0,1,0,0,0,0|2,0,0]=3 1504 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100102631434_100011216711 [0,1,0,0,0,0|2,0,0]=3 1505 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_200000210301 [0,1,0,0,0,0|2,0,0]=3 1506 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100102631434_100011216711 [0,1,0,0,0,0|2,0,0]=3 1507 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 270004a_100102631434_100000211584 [0,1,0,0,0,0|2,0,0]=3 1508 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 2230a_100102631434_100000737579 [0,1,0,0,0,0|3,0,0]=4 1509 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 270004a_100102631434_100000759686 [0,1,0,0,0,0|3,0,0]=4 1510 B15R2.1668 CN(C)Cc1ccc2cccnc2c1 270004a_100102631434_100011784159 [0,1,0,0,0,0|3,0,0]=4 1511 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 2230a_100102631434_100020605334 [0,1,0,0,0,0|3,0,0]=4 1512 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 269982a_100102631434_100020605334 [0,1,0,0,0,0|3,0,0]=4 1513 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 270004a_100102631434_100000068276 [0,1,0,0,0,0|3,0,0]=4 1514 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100000207558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1515 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100102631434_100000703657 [0,1,0,0,0,0|3,0,0]=4 1516 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100000207558_200000210301 [0,1,0,0,0,0|3,0,0]=4 1517 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100102631434_100000703657 [0,1,0,0,0,0|3,0,0]=4 1518 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 270004a_100102631434_100000211315 [0,1,0,0,0,0|3,0,0]=4 1519 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 2230a_100011875994_200000210301 [0,1,0,0,0,0|3,0,0]=4 1520 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 269982a_100011875994_200000210301 [0,1,0,0,0,0|3,0,0]=4 1521 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 270004a_100102631434_100000750898 [0,1,0,0,0,0|3,0,0]=4 1522 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 2230a_100000185194_200025704644 [0,1,0,0,0,0|2,0,0]=3 1523 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 269982a_100000185194_200025704644 [0,1,0,0,0,0|2,0,0]=3 1524 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 2230a_100000207558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1525 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 269982a_100000207558_200025704644 [0,1,0,0,0,0|3,0,0]=4 1526 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 2230a_100011875994_200025704644 [0,1,0,0,0,0|3,0,0]=4 1527 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 269982a_100011875994_200025704644 [0,1,0,0,0,0|3,0,0]=4 1528 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,1,0,0,0,0|1,0,1]=3 1529 B15R2.1668 [13CH3]C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200025704644 [0,1,0,0,0,0|2,0,1]=4 1530 B15R2.2220 C=C=Cc1ccc2ccccc2c1Br 271570a_100015277604_200010089984 [0,1,0,0,0,0|1,0,2]=4 1531 B15R2.2220 C=C=Cc1ccc2ccccc2c1C 271570a_100015277604_100010221197 [0,1,0,0,0,0|1,0,2]=4 1532 B15R2.2220 C=C=Cc1ccc2ccccc2c1F 271570a_100015277604_100009832041 [0,1,0,0,0,0|1,0,2]=4 1533 B15R2.2220 C=C=Cc1ccc2ccccc2c1N 271570a_100015277604_100009817101 [0,1,0,0,0,0|1,0,2]=4 1534 B15R2.2220 C=C=Cc1ccc2ccccc2c1O 271570a_100015277604_100009996032 [0,1,0,0,0,0|1,0,2]=4 1535 B15R2.2220 CC=Cc1c[nH]c2ccccc2c1=O 271570a_100016259895_100012339567 [0,1,0,0,0,0|2,0,1]=4 1536 B15R2.2220 CC=Cc1ccc2ccccc2c1Br 271570a_100016259895_200010089984 [0,1,0,0,0,0|1,0,1]=3 1537 B15R2.2220 CC=Cc1ccc2ccccc2c1C 271570a_100016259895_100010221197 [0,1,0,0,0,0|1,0,1]=3 1538 B15R2.2220 CC=Cc1ccc2ccccc2c1F 271570a_100016259895_100009832041 [0,1,0,0,0,0|1,0,1]=3 1539 B15R2.2220 CC=Cc1ccc2ccccc2c1N 271570a_100016259895_100009817101 [0,1,0,0,0,0|1,0,1]=3 1540 B15R2.2220 CC=Cc1ccc2ccccc2c1O 271570a_100016259895_100009996032 [0,1,0,0,0,0|1,0,1]=3 1541 B15R2.2220 CC=Cc1ccc2cccnc2c1C 271570a_100016259895_100010214467 [0,1,0,0,0,0|2,0,1]=4 1542 B15R2.2220 CC=Cc1ccc2cccnc2c1F 271570a_100016259895_100010751467 [0,1,0,0,0,0|2,0,1]=4 1543 B15R2.2220 CC=Cc1ccc2cccnc2c1O 271570a_100016259895_100009816563 [0,1,0,0,0,0|2,0,1]=4 1544 B15R2.2220 CC=Cc1ccc2cnccc2c1N 271570a_100016259895_100010191621 [0,1,0,0,0,0|2,0,1]=4 1545 B15R2.2220 CC=Cc1ccc2ncccc2c1C 271570a_100016259895_200010137439 [0,1,0,0,0,0|2,0,1]=4 1546 B15R2.2220 CC=Cc1ccc2ncccc2c1N 271570a_100016259895_200010235790 [0,1,0,0,0,0|2,0,1]=4 1547 B15R2.2220 CC=Cc1cnc2ccccc2c1Cl 271570a_100016259895_100012352519 [0,1,0,0,0,0|2,0,1]=4 1548 B15R2.2220 CC=Cc1cnc2ccccc2c1N 271570a_100016259895_100009995562 [0,1,0,0,0,0|2,0,1]=4 1549 B15R2.2220 CC=Cc1coc2ccccc2c1=O 271570a_100016259895_100009813851 [0,1,0,0,0,0|2,0,1]=4 1550 B15R2.2220 CC=Cc1ncc2ccccc2c1N 271570a_100016259895_100000087573 [0,1,0,0,0,0|2,0,1]=4 1551 B15R2.2220 CCNc1ccc2ccccc2c1Br 34a_100000705303_100000210202 [0,1,0,0,0,0|1,0,0]=2 1552 B15R2.2220 CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210202 [0,1,0,0,0,0|1,0,0]=2 1553 B15R2.2220 CCNc1ccc2ccccc2c1O 34a_100000007060_100000210202 [0,1,0,0,0,0|1,0,0]=2 1554 B15R2.2220 CCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210202 [0,1,0,0,0,0|2,0,0]=3 1555 B15R2.2220 CCNc1ccc2ncccc2c1Br 34a_200009995563_100000210202 [0,1,0,0,0,0|2,0,0]=3 1556 B15R2.2220 CCNc1ccc2nccnc2c1C 27a_100015525214_100135414757 [0,1,0,0,0,0|3,0,0]=4 1557 B15R2.2220 CCOC1CCc2ccccc2C1=O 34a_100121572206_100000229917 [0,1,0,0,0,0|0,0,3]=4 1558 B15R2.2220 CCOc1ccc2ccccc2c1Br 34a_100000183829_100000210202 [0,1,0,0,0,0|0,0,0]=1 1559 B15R2.2220 CCOc1ccc2ccccc2c1Br 7a_100000183829_100000210202 [0,1,0,0,0,0|0,0,0]=1 1560 B15R2.2220 CCOc1ccc2ccccc2c1C 34a_100009830054_100000210202 [0,1,0,0,0,0|0,0,0]=1 1561 B15R2.2220 CCOc1ccc2ccccc2c1C 7a_100009830054_100000210202 [0,1,0,0,0,0|0,0,0]=1 1562 B15R2.2220 CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210202 [0,1,0,0,0,0|0,0,0]=1 1563 B15R2.2220 CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210202 [0,1,0,0,0,0|0,0,0]=1 1564 B15R2.2220 CCOc1ccc2ccccc2c1I 34a_100000041551_100000210202 [0,1,0,0,0,0|0,0,0]=1 1565 B15R2.2220 CCOc1ccc2ccccc2c1I 7a_100000041551_100000210202 [0,1,0,0,0,0|0,0,0]=1 1566 B15R2.2220 CCOc1ccc2ccccc2c1N 34a_100000007056_100000210202 [0,1,0,0,0,0|0,0,0]=1 1567 B15R2.2220 CCOc1ccc2ccccc2c1N 7a_100000007056_100000210202 [0,1,0,0,0,0|0,0,0]=1 1568 B15R2.2220 CCOc1ccc2ccccc2c1O 271570a_203496583355_200000173018 [0,1,0,0,0,0|0,0,0]=1 1569 B15R2.2220 CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210202 [0,1,0,0,0,0|1,0,0]=2 1570 B15R2.2220 CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210202 [0,1,0,0,0,0|1,0,0]=2 1571 B15R2.2220 CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210202 [0,1,0,0,0,0|1,0,0]=2 1572 B15R2.2220 CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210202 [0,1,0,0,0,0|1,0,0]=2 1573 B15R2.2220 CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210202 [0,1,0,0,0,0|1,0,0]=2 1574 B15R2.2220 CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210202 [0,1,0,0,0,0|1,0,0]=2 1575 B15R2.2220 CCSc1c[nH]c2ccccc2c1=O 62a_100000210202_100012348052 [0,1,0,0,0,0|1,1,0]=3 1576 B15R2.2220 CCSc1ccc2ccccc2c1Br 62a_100000210202_200010089984 [0,1,0,0,0,0|0,1,0]=2 1577 B15R2.2220 CCSc1ccc2ccccc2c1Br 62a_200010089984_100000210202 [0,1,0,0,0,0|0,1,0]=2 1578 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100000210202_100010221197 [0,1,0,0,0,0|0,1,0]=2 1579 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100010221197_100000210202 [0,1,0,0,0,0|0,1,0]=2 1580 B15R2.2220 CCSc1ccc2ccccc2c1F 62a_100000210202_100009832041 [0,1,0,0,0,0|0,1,0]=2 1581 B15R2.2220 CCSc1ccc2ccccc2c1F 62a_100009832041_100000210202 [0,1,0,0,0,0|0,1,0]=2 1582 B15R2.2220 CCSc1ccc2ccccc2c1N 62a_100009817101_100000210202 [0,1,0,0,0,0|0,1,0]=2 1583 B15R2.2220 CCSc1ccc2ccccc2c1O 62a_100000210202_100009996032 [0,1,0,0,0,0|0,1,0]=2 1584 B15R2.2220 CCSc1ccc2cccnc2c1C 62a_100000210202_100010214467 [0,1,0,0,0,0|1,1,0]=3 1585 B15R2.2220 CCSc1ccc2cccnc2c1F 62a_100000210202_100010751467 [0,1,0,0,0,0|1,1,0]=3 1586 B15R2.2220 CCSc1ccc2cccnc2c1F 62a_100010751467_100000210202 [0,1,0,0,0,0|1,1,0]=3 1587 B15R2.2220 CCSc1ccc2cccnc2c1O 62a_100000210202_100009816563 [0,1,0,0,0,0|1,1,0]=3 1588 B15R2.2220 CCSc1ccc2cnccc2c1N 62a_100000210202_100010191621 [0,1,0,0,0,0|1,1,0]=3 1589 B15R2.2220 CCSc1ccc2cnccc2c1N 62a_100010191621_100000210202 [0,1,0,0,0,0|1,1,0]=3 1590 B15R2.2220 CCSc1ccc2ncccc2c1C 62a_100000210202_200010137439 [0,1,0,0,0,0|1,1,0]=3 1591 B15R2.2220 CCSc1ccc2ncccc2c1C 62a_200010137439_100000210202 [0,1,0,0,0,0|1,1,0]=3 1592 B15R2.2220 CCSc1ccc2ncccc2c1N 62a_200010235790_100000210202 [0,1,0,0,0,0|1,1,0]=3 1593 B15R2.2220 CCSc1ccc2nccnc2c1C 62a_100000210202_100135414757 [0,1,0,0,0,0|2,1,0]=4 1594 B15R2.2220 CCSc1ccc2nccnc2c1C 62a_100135414757_100000210202 [0,1,0,0,0,0|2,1,0]=4 1595 B15R2.2220 CCSc1cnc2ccccc2c1Cl 62a_100000210202_100012352519 [0,1,0,0,0,0|1,1,0]=3 1596 B15R2.2220 CCSc1cnc2ccccc2c1N 62a_100000210202_100009995562 [0,1,0,0,0,0|1,1,0]=3 1597 B15R2.2220 CCSc1cnc2ccccc2c1N 62a_100009995562_100000210202 [0,1,0,0,0,0|1,1,0]=3 1598 B15R2.2220 CCSc1coc2ccccc2c1=O 62a_100000210202_100009813851 [0,1,0,0,0,0|1,1,0]=3 1599 B15R2.2220 CCSc1ncc2ccccc2c1N 62a_100000210202_100000087573 [0,1,0,0,0,0|1,1,0]=3 1600 B15R2.2220 CCSc1ncc2ccccc2c1N 62a_100009995564_100000210202 [0,1,0,0,0,0|1,1,0]=3 1601 B15R2.2220 CCSc1nnc2ccccc2c1O 62a_100000210202_100000688347 [0,1,0,0,0,0|2,1,0]=4 1602 B15R2.2220 CNCc1ccc2ccccc2c1Br 207a_100102657272_100009813496 [0,1,0,0,0,0|2,0,0]=3 1603 B15R2.2220 CNCc1ccc2ccccc2c1Br 2230a_106832991635_100009813938 [0,1,0,0,0,0|2,0,0]=3 1604 B15R2.2220 CNCc1ccc2ccccc2c1Br 26a_100102657272_100000183829 [0,1,0,0,0,0|2,0,0]=3 1605 B15R2.2220 CNCc1ccc2ccccc2c1Br 270004a_106832991635_100009813496 [0,1,0,0,0,0|2,0,0]=3 1606 B15R2.2220 CNCc1ccc2ccccc2c1Br 34a_100102657272_100009813938 [0,1,0,0,0,0|2,0,0]=3 1607 B15R2.2220 CNCc1ccc2ccccc2c1Br 7a_106832991635_100009813938 [0,1,0,0,0,0|2,0,0]=3 1608 B15R2.2220 CNCc1ccc2cccnc2c1Br 26a_100102657272_100010173343 [0,1,0,0,0,0|3,0,0]=4 1609 B15R2.2220 CNCc1ccc2ccncc2c1Br 26a_100102657272_200010115057 [0,1,0,0,0,0|3,0,0]=4 1610 B15R2.2220 CNCc1ccc2cnccc2c1Cl 26a_100102657272_100009824633 [0,1,0,0,0,0|3,0,0]=4 1611 B15R2.2220 CNCc1cnc2ccccc2c1Cl 270004a_106832991635_100000037458 [0,1,0,0,0,0|3,0,0]=4 1612 B15R2.2220 CNCc1coc2ccccc2c1=O 270004a_106832991635_100000195500 [0,1,0,0,0,0|3,0,0]=4 1613 B15R2.2220 COCc1ccc2ccccc2c1Br 34a_100138415774_100009813938 [0,1,0,0,0,0|2,0,0]=3 1614 B15R2.2220 COCc1ccc2ccccc2c1O 271570a_203496583355_200009813570 [0,1,0,0,0,0|2,0,0]=3 1615 B15R2.2220 CSCc1ccc2ccccc2c1Br 62a_100009813938_200000210301 [0,1,0,0,0,0|2,0,0]=3 1616 B15R2.2220 CSCc1ccc2ccccc2c1Br 62a_200000210301_100009813938 [0,1,0,0,0,0|2,0,0]=3 1617 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 34a_100009830054_100015361967 [0,1,0,0,0,0|1,0,0]=2 1618 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 7a_100009830054_100015361967 [0,1,0,0,0,0|1,0,0]=2 1619 B15R2.2220 Cc1c(ccc2c1cccc2)SCF 62a_100010221197_100015361967 [0,1,0,0,0,0|1,1,0]=3 1620 B15R2.2220 Cc1c(ccc2c1cccc2)SCF 62a_100015361967_100010221197 [0,1,0,0,0,0|1,1,0]=3 1621 B15R2.2220 Cc1c(ccc2c1cccn2)SCF 62a_100015361967_200010137439 [0,1,0,0,0,0|2,1,0]=4 1622 B15R2.2220 Cc1c(ccc2c1cccn2)SCF 62a_200010137439_100015361967 [0,1,0,0,0,0|2,1,0]=4 1623 B15R2.2220 Cc1c(ccc2c1nccc2)SCF 62a_100015361967_100010214467 [0,1,0,0,0,0|2,1,0]=4 1624 B15R2.2220 FCNc1ccc2ccccc2c1Br 34a_100000705303_100015361967 [0,1,0,0,0,0|2,0,0]=3 1625 B15R2.2220 FCNc1ccc2ccccc2c1Cl 34a_100000075557_100015361967 [0,1,0,0,0,0|2,0,0]=3 1626 B15R2.2220 FCNc1ccc2cnccc2c1Cl 34a_100009851981_100015361967 [0,1,0,0,0,0|3,0,0]=4 1627 B15R2.2220 FCNc1ccc2ncccc2c1Br 34a_200009995563_100015361967 [0,1,0,0,0,0|3,0,0]=4 1628 B15R2.2220 FCOc1ccc2ccccc2c1Br 34a_100000183829_100015361967 [0,1,0,0,0,0|1,0,0]=2 1629 B15R2.2220 FCOc1ccc2ccccc2c1Br 7a_100000183829_100015361967 [0,1,0,0,0,0|1,0,0]=2 1630 B15R2.2220 FCOc1ccc2ccccc2c1Cl 34a_100000029778_100015361967 [0,1,0,0,0,0|1,0,0]=2 1631 B15R2.2220 FCOc1ccc2ccccc2c1Cl 7a_100000029778_100015361967 [0,1,0,0,0,0|1,0,0]=2 1632 B15R2.2220 FCOc1ccc2ccccc2c1I 34a_100000041551_100015361967 [0,1,0,0,0,0|1,0,0]=2 1633 B15R2.2220 FCOc1ccc2ccccc2c1I 7a_100000041551_100015361967 [0,1,0,0,0,0|1,0,0]=2 1634 B15R2.2220 FCOc1ccc2cccnc2c1Br 34a_100010173343_100015361967 [0,1,0,0,0,0|2,0,0]=3 1635 B15R2.2220 FCOc1ccc2cccnc2c1Br 7a_100010173343_100015361967 [0,1,0,0,0,0|2,0,0]=3 1636 B15R2.2220 FCOc1ccc2ccncc2c1Br 34a_200010115057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1637 B15R2.2220 FCOc1ccc2ccncc2c1Br 7a_200010115057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1638 B15R2.2220 FCOc1ccc2cnccc2c1Cl 34a_100009824633_100015361967 [0,1,0,0,0,0|2,0,0]=3 1639 B15R2.2220 FCOc1ccc2cnccc2c1Cl 7a_100009824633_100015361967 [0,1,0,0,0,0|2,0,0]=3 1640 B15R2.2220 FCSc1ccc2ccccc2c1Br 62a_100015361967_200010089984 [0,1,0,0,0,0|1,1,0]=3 1641 B15R2.2220 FCSc1ccc2ccccc2c1Br 62a_200010089984_100015361967 [0,1,0,0,0,0|1,1,0]=3 1642 B15R2.2220 FCSc1ccc2ccccc2c1F 62a_100009832041_100015361967 [0,1,0,0,0,0|1,1,0]=3 1643 B15R2.2220 FCSc1ccc2ccccc2c1F 62a_100015361967_100009832041 [0,1,0,0,0,0|1,1,0]=3 1644 B15R2.2220 FCSc1ccc2cccnc2c1F 62a_100010751467_100015361967 [0,1,0,0,0,0|2,1,0]=4 1645 B15R2.2220 FCSc1ccc2cccnc2c1F 62a_100015361967_100010751467 [0,1,0,0,0,0|2,1,0]=4 1646 B15R2.2220 FCSc1cnc2ccccc2c1Cl 62a_100015361967_100012352519 [0,1,0,0,0,0|2,1,0]=4 1647 B15R2.2220 Nc1c(ccc2c1cccc2)OCF 34a_100000007056_100015361967 [0,1,0,0,0,0|1,0,0]=2 1648 B15R2.2220 Nc1c(ccc2c1cccc2)OCF 7a_100000007056_100015361967 [0,1,0,0,0,0|1,0,0]=2 1649 B15R2.2220 Nc1c(ccc2c1cccc2)SCF 62a_100009817101_100015361967 [0,1,0,0,0,0|1,1,0]=3 1650 B15R2.2220 Nc1c(ccc2c1cccn2)SCF 62a_200010235790_100015361967 [0,1,0,0,0,0|2,1,0]=4 1651 B15R2.2220 Nc1c(ccc2c1ccnc2)SCF 62a_100010191621_100015361967 [0,1,0,0,0,0|2,1,0]=4 1652 B15R2.2220 Nc1c(ccc2c1ccnc2)SCF 62a_100015361967_100010191621 [0,1,0,0,0,0|2,1,0]=4 1653 B15R2.2220 Nc1c(cnc2c1cccc2)SCF 62a_100009995562_100015361967 [0,1,0,0,0,0|2,1,0]=4 1654 B15R2.2220 Nc1c(cnc2c1cccc2)SCF 62a_100015361967_100009995562 [0,1,0,0,0,0|2,1,0]=4 1655 B15R2.2220 Nc1c(ncc2c1cccc2)SCF 62a_100009995564_100015361967 [0,1,0,0,0,0|2,1,0]=4 1656 B15R2.2220 Nc1c(ncc2c1cccc2)SCF 62a_100015361967_100000087573 [0,1,0,0,0,0|2,1,0]=4 1657 B15R2.2220 O=c1c(c[nH]c2c1cccc2)SCF 62a_100015361967_100012348052 [0,1,0,0,0,0|2,1,0]=4 1658 B15R2.2220 O=c1c(coc2c1cccc2)SCF 62a_100015361967_100009813851 [0,1,0,0,0,0|2,1,0]=4 1659 B15R2.2220 Oc1c(ccc2c1cccc2)NCF 34a_100000007060_100015361967 [0,1,0,0,0,0|2,0,0]=3 1660 B15R2.2220 Oc1c(ccc2c1cccc2)SCF 62a_100015361967_100009996032 [0,1,0,0,0,0|1,1,0]=3 1661 B15R2.2220 Oc1c(ccc2c1nccc2)SCF 62a_100015361967_100009816563 [0,1,0,0,0,0|2,1,0]=4 1662 B15R2.2220 [13CH3]SCc1ccc2ccccc2c1Br 62a_100009813938_200025704644 [0,1,0,0,0,0|2,0,0]=3 1663 B15R2.2220 [13CH3]SCc1ccc2ccccc2c1Br 62a_200025704644_100009813938 [0,1,0,0,0,0|2,0,0]=3 1664 B15R2.10252 C=C=Cc1ccc2cc(ccc2c1)Br 271570a_100015277604_100012344972 [0,1,0,0,0,0|1,0,2]=4 1665 B15R2.10252 C=C=Cc1ccc2cc(ccc2c1)F 271570a_100015277604_100009817052 [0,1,0,0,0,0|1,0,2]=4 1666 B15R2.10252 C=C=Cc1ccc2cc(ccc2c1)N 271570a_100015277604_100000185457 [0,1,0,0,0,0|1,0,2]=4 1667 B15R2.10252 C=C=Cc1ccc2cc(ccc2c1)O 271570a_100015277604_100000185455 [0,1,0,0,0,0|1,0,2]=4 1668 B15R2.10252 CC=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016259895_100011934725 [0,1,0,0,0,0|2,0,1]=4 1669 B15R2.10252 CC=Cc1ccc2c[n+](ccc2c1)C 271570a_100016259895_100015191232 [0,1,0,0,0,0|2,0,1]=4 1670 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)Br 271570a_100016259895_100012344972 [0,1,0,0,0,0|1,0,1]=3 1671 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)F 271570a_100016259895_100009817052 [0,1,0,0,0,0|1,0,1]=3 1672 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)N 271570a_100016259895_100000185457 [0,1,0,0,0,0|1,0,1]=3 1673 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)O 271570a_100016259895_100000185455 [0,1,0,0,0,0|1,0,1]=3 1674 B15R2.10252 CC=Cc1ccc2cc(ccc2n1)C 271570a_100016259895_100011865911 [0,1,0,0,0,0|2,0,1]=4 1675 B15R2.10252 CC=Cc1ccc2cc(ccc2n1)F 271570a_100016259895_100011998705 [0,1,0,0,0,0|2,0,1]=4 1676 B15R2.10252 CC=Cc1ccc2cc(ccc2n1)O 271570a_100016259895_100009849208 [0,1,0,0,0,0|2,0,1]=4 1677 B15R2.10252 CC=Cc1ccc2cc(cnc2c1)Br 271570a_100016259895_200015509644 [0,1,0,0,0,0|2,0,1]=4 1678 B15R2.10252 CC=Cc1ccc2cc(cnc2c1)C 271570a_100016259895_100010751441 [0,1,0,0,0,0|2,0,1]=4 1679 B15R2.10252 CC=Cc1ccc2cc(cnc2c1)F 271570a_100016259895_100010751466 [0,1,0,0,0,0|2,0,1]=4 1680 B15R2.10252 CC=Cc1ccc2cc(cnc2c1)N 271570a_100016259895_100010142226 [0,1,0,0,0,0|2,0,1]=4 1681 B15R2.10252 CC=Cc1ccc2cc(ncc2c1)N 271570a_100016259895_100010232990 [0,1,0,0,0,0|2,0,1]=4 1682 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)C 271570a_100016259895_100000686635 [0,1,0,0,0,0|2,0,1]=4 1683 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)Cl 271570a_100016259895_200012034268 [0,1,0,0,0,0|2,0,1]=4 1684 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)N 271570a_100016259895_100011934619 [0,1,0,0,0,0|2,0,1]=4 1685 B15R2.10252 CC=Cc1ccc2oc(=O)ccc2c1 271570a_100016259895_100009999946 [0,1,0,0,0,0|2,0,1]=4 1686 B15R2.10252 CC=Cc1cnc2cc(ccc2c1)Cl 271570a_100016259895_100015716233 [0,1,0,0,0,0|2,0,1]=4 1687 B15R2.10252 CC=Cc1cnc2cc(ccc2c1)N 271570a_100016259895_200010264087 [0,1,0,0,0,0|2,0,1]=4 1688 B15R2.10252 CC=Cc1cnc2cc(ccc2c1)O 271570a_100016259895_200010153753 [0,1,0,0,0,0|2,0,1]=4 1689 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210202 [0,1,0,0,0,0|1,0,0]=2 1690 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210202 [0,1,0,0,0,0|1,0,0]=2 1691 B15R2.10252 CCNc1ccc2cc(ccc2n1)C 27a_100015525214_100011865911 [0,1,0,0,0,0|2,0,0]=3 1692 B15R2.10252 CCNc1ccc2cc(ccc2n1)F 27a_100015525214_100011998705 [0,1,0,0,0,0|2,0,0]=3 1693 B15R2.10252 CCNc1ccc2cc(cnc2c1)Br 27a_100015525214_200015509644 [0,1,0,0,0,0|2,0,0]=3 1694 B15R2.10252 CCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210202 [0,1,0,0,0,0|2,0,0]=3 1695 B15R2.10252 CCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210202 [0,1,0,0,0,0|2,0,0]=3 1696 B15R2.10252 CCNc1ccc2nc(ccc2n1)C 27a_100015525214_200009884078 [0,1,0,0,0,0|3,0,0]=4 1697 B15R2.10252 CCNc1ccc2nc(cnc2c1)Cl 34a_100009885871_100000210202 [0,1,0,0,0,0|3,0,0]=4 1698 B15R2.10252 CCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210202 [0,1,0,0,0,0|2,0,0]=3 1699 B15R2.10252 CCNc1cnc2cc(ccc2n1)F 27a_100015525214_100000098432 [0,1,0,0,0,0|3,0,0]=4 1700 B15R2.10252 CCNc1cnc2cc(ccc2n1)N 27a_100015525214_100009885871 [0,1,0,0,0,0|3,0,0]=4 1701 B15R2.10252 CCNc1cnc2cc(ccc2n1)O 27a_100015525214_200010664160 [0,1,0,0,0,0|3,0,0]=4 1702 B15R2.10252 CCOc1ccc2c(c1)CCC(=O)C2 34a_100009852394_100000210202 [0,1,0,0,0,0|0,0,3]=4 1703 B15R2.10252 CCOc1ccc2c(c1)CCC(=O)C2 7a_100009852394_100000210202 [0,1,0,0,0,0|0,0,3]=4 1704 B15R2.10252 CCOc1ccc2c(c1)CCC(=O)N2 34a_100000735524_100000210202 [0,1,0,0,0,0|1,0,2]=4 1705 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210202 [0,1,0,0,0,0|0,0,0]=1 1706 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210202 [0,1,0,0,0,0|0,0,0]=1 1707 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210202 [0,1,0,0,0,0|0,0,0]=1 1708 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210202 [0,1,0,0,0,0|0,0,0]=1 1709 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210202 [0,1,0,0,0,0|0,0,0]=1 1710 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210202 [0,1,0,0,0,0|0,0,0]=1 1711 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210202 [0,1,0,0,0,0|0,0,0]=1 1712 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210202 [0,1,0,0,0,0|0,0,0]=1 1713 B15R2.10252 CCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170440 [0,1,0,0,0,0|0,0,0]=1 1714 B15R2.10252 CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210202 [0,1,0,0,0,0|1,0,0]=2 1715 B15R2.10252 CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210202 [0,1,0,0,0,0|1,0,0]=2 1716 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210202 [0,1,0,0,0,0|1,0,0]=2 1717 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210202 [0,1,0,0,0,0|1,0,0]=2 1718 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210202 [0,1,0,0,0,0|1,0,0]=2 1719 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210202 [0,1,0,0,0,0|1,0,0]=2 1720 B15R2.10252 CCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210202 [0,1,0,0,0,0|2,0,0]=3 1721 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210202 [0,1,0,0,0,0|1,0,0]=2 1722 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210202 [0,1,0,0,0,0|1,0,0]=2 1723 B15R2.10252 CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210202 [0,1,0,0,0,0|1,0,0]=2 1724 B15R2.10252 CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210202 [0,1,0,0,0,0|1,0,0]=2 1725 B15R2.10252 CCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210202_100011934725 [0,1,0,0,0,0|1,1,0]=3 1726 B15R2.10252 CCSc1ccc2[nH]c(=O)cnc2c1 62a_100000210202_100010209493 [0,1,0,0,0,0|2,1,0]=4 1727 B15R2.10252 CCSc1ccc2c[n+](ccc2c1)C 62a_100000210202_100015191232 [0,1,0,0,0,0|1,1,0]=3 1728 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100000210202_100012344972 [0,1,0,0,0,0|0,1,0]=2 1729 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210202 [0,1,0,0,0,0|0,1,0]=2 1730 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100000210202_100009817052 [0,1,0,0,0,0|0,1,0]=2 1731 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210202 [0,1,0,0,0,0|0,1,0]=2 1732 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210202 [0,1,0,0,0,0|0,1,0]=2 1733 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000210202_100000185457 [0,1,0,0,0,0|0,1,0]=2 1734 B15R2.10252 CCSc1ccc2cc(ccc2c1)O 62a_100000210202_100000185455 [0,1,0,0,0,0|0,1,0]=2 1735 B15R2.10252 CCSc1ccc2cc(ccc2n1)C 62a_100000210202_100011865911 [0,1,0,0,0,0|1,1,0]=3 1736 B15R2.10252 CCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210202 [0,1,0,0,0,0|1,1,0]=3 1737 B15R2.10252 CCSc1ccc2cc(ccc2n1)F 62a_100000210202_100011998705 [0,1,0,0,0,0|1,1,0]=3 1738 B15R2.10252 CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210202 [0,1,0,0,0,0|1,1,0]=3 1739 B15R2.10252 CCSc1ccc2cc(ccc2n1)O 62a_100000210202_100009849208 [0,1,0,0,0,0|1,1,0]=3 1740 B15R2.10252 CCSc1ccc2cc(cnc2c1)Br 62a_100000210202_200015509644 [0,1,0,0,0,0|1,1,0]=3 1741 B15R2.10252 CCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210202 [0,1,0,0,0,0|1,1,0]=3 1742 B15R2.10252 CCSc1ccc2cc(cnc2c1)C 62a_100000210202_100010751441 [0,1,0,0,0,0|1,1,0]=3 1743 B15R2.10252 CCSc1ccc2cc(cnc2c1)F 62a_100000210202_100010751466 [0,1,0,0,0,0|1,1,0]=3 1744 B15R2.10252 CCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210202 [0,1,0,0,0,0|1,1,0]=3 1745 B15R2.10252 CCSc1ccc2cc(cnc2c1)N 62a_100000210202_100010142226 [0,1,0,0,0,0|1,1,0]=3 1746 B15R2.10252 CCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210202 [0,1,0,0,0,0|1,1,0]=3 1747 B15R2.10252 CCSc1ccc2cc(ncc2c1)N 62a_100000210202_100010232990 [0,1,0,0,0,0|1,1,0]=3 1748 B15R2.10252 CCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210202 [0,1,0,0,0,0|1,1,0]=3 1749 B15R2.10252 CCSc1ccc2nc(ccc2c1)C 62a_100000210202_100000686635 [0,1,0,0,0,0|1,1,0]=3 1750 B15R2.10252 CCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210202 [0,1,0,0,0,0|1,1,0]=3 1751 B15R2.10252 CCSc1ccc2nc(ccc2c1)Cl 62a_100000210202_200012034268 [0,1,0,0,0,0|1,1,0]=3 1752 B15R2.10252 CCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210202 [0,1,0,0,0,0|1,1,0]=3 1753 B15R2.10252 CCSc1ccc2nc(ccc2n1)C 62a_100000210202_200009884078 [0,1,0,0,0,0|2,1,0]=4 1754 B15R2.10252 CCSc1ccc2nc(ncc2c1)N 62a_100000210202_100010138702 [0,1,0,0,0,0|2,1,0]=4 1755 B15R2.10252 CCSc1ccc2nc(ncc2c1)N 62a_100010138702_100000210202 [0,1,0,0,0,0|2,1,0]=4 1756 B15R2.10252 CCSc1ccc2oc(=O)ccc2c1 62a_100000210202_100009999946 [0,1,0,0,0,0|1,1,0]=3 1757 B15R2.10252 CCSc1cnc2cc(ccc2c1)Cl 62a_100000210202_100015716233 [0,1,0,0,0,0|1,1,0]=3 1758 B15R2.10252 CCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210202 [0,1,0,0,0,0|1,1,0]=3 1759 B15R2.10252 CCSc1cnc2cc(ccc2c1)N 62a_100000210202_200010264087 [0,1,0,0,0,0|1,1,0]=3 1760 B15R2.10252 CCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210202 [0,1,0,0,0,0|1,1,0]=3 1761 B15R2.10252 CCSc1cnc2cc(ccc2c1)O 62a_100000210202_200010153753 [0,1,0,0,0,0|1,1,0]=3 1762 B15R2.10252 CCSc1cnc2cc(ccc2n1)F 62a_100000098432_100000210202 [0,1,0,0,0,0|2,1,0]=4 1763 B15R2.10252 CCSc1cnc2cc(ccc2n1)F 62a_100000210202_100000098432 [0,1,0,0,0,0|2,1,0]=4 1764 B15R2.10252 CCSc1cnc2cc(ccc2n1)N 62a_100000210202_100009885871 [0,1,0,0,0,0|2,1,0]=4 1765 B15R2.10252 CCSc1cnc2cc(ccc2n1)O 62a_100000210202_200010664160 [0,1,0,0,0,0|2,1,0]=4 1766 B15R2.10252 CCSc1cnc2nc(ccc2c1)N 62a_100000210202_100010214896 [0,1,0,0,0,0|2,1,0]=4 1767 B15R2.10252 CCSc1cnc2nc(ccc2c1)N 62a_100010214896_100000210202 [0,1,0,0,0,0|2,1,0]=4 1768 B15R2.10252 CCSc1cnc2nc(ccc2c1)O 62a_100000210202_100009814606 [0,1,0,0,0,0|2,1,0]=4 1769 B15R2.10252 CNCc1cc2ccc(cc2cn1)Cl 2230a_106832991635_200010408301 [0,1,0,0,0,0|3,0,0]=4 1770 B15R2.10252 CNCc1cc2ccc(cc2cn1)Cl 34a_100102657272_200010408301 [0,1,0,0,0,0|3,0,0]=4 1771 B15R2.10252 CNCc1cc2ccc(cc2cn1)Cl 7a_106832991635_200010408301 [0,1,0,0,0,0|3,0,0]=4 1772 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 207a_100102657272_100012356508 [0,1,0,0,0,0|2,0,0]=3 1773 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 2230a_106832991635_100012356510 [0,1,0,0,0,0|2,0,0]=3 1774 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 26a_100102657272_100000185455 [0,1,0,0,0,0|2,0,0]=3 1775 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 270004a_106832991635_100012356508 [0,1,0,0,0,0|2,0,0]=3 1776 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 34a_100102657272_100012356510 [0,1,0,0,0,0|2,0,0]=3 1777 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 7a_106832991635_100012356510 [0,1,0,0,0,0|2,0,0]=3 1778 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 207a_100102657272_100000067190 [0,1,0,0,0,0|2,0,0]=3 1779 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 270004a_106832991635_100000067190 [0,1,0,0,0,0|2,0,0]=3 1780 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 34a_200000083168_200000210301 [0,1,0,0,0,0|2,0,0]=3 1781 B15R2.10252 CNCc1ccc2cc(ccc2n1)C 2230a_106832991635_100009884411 [0,1,0,0,0,0|3,0,0]=4 1782 B15R2.10252 CNCc1ccc2cc(ccc2n1)C 34a_100102657272_100009884411 [0,1,0,0,0,0|3,0,0]=4 1783 B15R2.10252 CNCc1ccc2cc(ccc2n1)C 7a_106832991635_100009884411 [0,1,0,0,0,0|3,0,0]=4 1784 B15R2.10252 CNCc1ccc2cc(ccc2n1)Cl 207a_100102657272_100000059782 [0,1,0,0,0,0|3,0,0]=4 1785 B15R2.10252 CNCc1ccc2cc(ccc2n1)Cl 270004a_106832991635_100000059782 [0,1,0,0,0,0|3,0,0]=4 1786 B15R2.10252 CNCc1ccc2cc(ccc2n1)F 207a_100102657272_100000068074 [0,1,0,0,0,0|3,0,0]=4 1787 B15R2.10252 CNCc1ccc2cc(ccc2n1)F 270004a_106832991635_100000068074 [0,1,0,0,0,0|3,0,0]=4 1788 B15R2.10252 CNCc1ccc2cc(cnc2c1)Br 207a_100102657272_100010114372 [0,1,0,0,0,0|3,0,0]=4 1789 B15R2.10252 CNCc1ccc2cc(cnc2c1)Br 26a_100102657272_200010153753 [0,1,0,0,0,0|3,0,0]=4 1790 B15R2.10252 CNCc1ccc2cc(cnc2c1)Br 270004a_106832991635_100010114372 [0,1,0,0,0,0|3,0,0]=4 1791 B15R2.10252 CNCc1ccc2nc(ccc2c1)C 207a_100102657272_100000709793 [0,1,0,0,0,0|3,0,0]=4 1792 B15R2.10252 CNCc1ccc2nc(ccc2c1)C 270004a_106832991635_100000709793 [0,1,0,0,0,0|3,0,0]=4 1793 B15R2.10252 CNCc1ccc2nc(ccc2c1)Cl 270004a_106832991635_100000087602 [0,1,0,0,0,0|3,0,0]=4 1794 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 2230a_106832991635_200010983872 [0,1,0,0,0,0|3,0,0]=4 1795 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 270004a_106832991635_100000036638 [0,1,0,0,0,0|3,0,0]=4 1796 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 7a_106832991635_200010983872 [0,1,0,0,0,0|3,0,0]=4 1797 B15R2.10252 COCc1cc2ccc(cc2cn1)Cl 34a_100138415774_200010408301 [0,1,0,0,0,0|3,0,0]=4 1798 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 34a_100012356509_200000210301 [0,1,0,0,0,0|2,0,0]=3 1799 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 34a_100138415774_100012356510 [0,1,0,0,0,0|2,0,0]=3 1800 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 7a_100012356509_200000210301 [0,1,0,0,0,0|2,0,0]=3 1801 B15R2.10252 COCc1ccc2cc(ccc2n1)C 34a_100138415774_100009884411 [0,1,0,0,0,0|3,0,0]=4 1802 B15R2.10252 COCc1ccc2nc(ccc2c1)C 34a_100011934618_200000210301 [0,1,0,0,0,0|3,0,0]=4 1803 B15R2.10252 CSCc1cc2ccc(cc2cn1)Cl 62a_200000210301_200010408301 [0,1,0,0,0,0|3,0,0]=4 1804 B15R2.10252 CSCc1cc2ccc(cc2cn1)Cl 62a_200010408301_200000210301 [0,1,0,0,0,0|3,0,0]=4 1805 B15R2.10252 CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_200000210301 [0,1,0,0,0,0|2,0,0]=3 1806 B15R2.10252 CSCc1ccc2cc(ccc2c1)Br 62a_200000210301_100012356510 [0,1,0,0,0,0|2,0,0]=3 1807 B15R2.10252 CSCc1ccc2cc(ccc2n1)C 62a_100009884411_200000210301 [0,1,0,0,0,0|3,0,0]=4 1808 B15R2.10252 CSCc1ccc2cc(ccc2n1)C 62a_200000210301_100009884411 [0,1,0,0,0,0|3,0,0]=4 1809 B15R2.10252 CSCc1ccc2oc(=O)ccc2c1 62a_200000210301_200010983872 [0,1,0,0,0,0|3,0,0]=4 1810 B15R2.10252 C[n+]1ccc2cc(ccc2c1)SCF 62a_100015361967_100015191232 [0,1,0,0,0,0|2,1,0]=4 1811 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 34a_100000074090_100015361967 [0,1,0,0,0,0|1,0,0]=2 1812 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 7a_100000074090_100015361967 [0,1,0,0,0,0|1,0,0]=2 1813 B15R2.10252 Cc1ccc2cc(ccc2n1)CO[13CH3] 34a_100011934618_200025704644 [0,1,0,0,0,0|3,0,0]=4 1814 B15R2.10252 Cc1ccc2cc(ccc2n1)NCF 34a_100011216442_100015361967 [0,1,0,0,0,0|3,0,0]=4 1815 B15R2.10252 Cc1ccc2cc(ccc2n1)OCF 34a_100000037634_100015361967 [0,1,0,0,0,0|2,0,0]=3 1816 B15R2.10252 Cc1ccc2cc(ccc2n1)OCF 7a_100000037634_100015361967 [0,1,0,0,0,0|2,0,0]=3 1817 B15R2.10252 Cc1ccc2cc(ccc2n1)SCF 62a_100000686635_100015361967 [0,1,0,0,0,0|2,1,0]=4 1818 B15R2.10252 Cc1ccc2cc(ccc2n1)SCF 62a_100015361967_100000686635 [0,1,0,0,0,0|2,1,0]=4 1819 B15R2.10252 Cc1ccc2nc(ccc2c1)CS[13CH3] 62a_100009884411_200025704644 [0,1,0,0,0,0|3,0,0]=4 1820 B15R2.10252 Cc1ccc2nc(ccc2c1)CS[13CH3] 62a_200025704644_100009884411 [0,1,0,0,0,0|3,0,0]=4 1821 B15R2.10252 Cc1ccc2nc(ccc2c1)SCF 62a_100015361967_100011865911 [0,1,0,0,0,0|2,1,0]=4 1822 B15R2.10252 Cc1ccc2nc(ccc2c1)SCF 62a_200000181977_100015361967 [0,1,0,0,0,0|2,1,0]=4 1823 B15R2.10252 Cc1cnc2cc(ccc2c1)SCF 62a_100015361967_100010751441 [0,1,0,0,0,0|2,1,0]=4 1824 B15R2.10252 FCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015361967 [0,1,0,0,0,0|2,0,0]=3 1825 B15R2.10252 FCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015361967 [0,1,0,0,0,0|2,0,0]=3 1826 B15R2.10252 FCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100015361967 [0,1,0,0,0,0|3,0,0]=4 1827 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015361967 [0,1,0,0,0,0|1,0,0]=2 1828 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015361967 [0,1,0,0,0,0|1,0,0]=2 1829 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015361967 [0,1,0,0,0,0|1,0,0]=2 1830 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015361967 [0,1,0,0,0,0|1,0,0]=2 1831 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015361967 [0,1,0,0,0,0|1,0,0]=2 1832 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015361967 [0,1,0,0,0,0|1,0,0]=2 1833 B15R2.10252 FCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100015361967 [0,1,0,0,0,0|2,0,0]=3 1834 B15R2.10252 FCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100015361967 [0,1,0,0,0,0|2,0,0]=3 1835 B15R2.10252 FCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015361967 [0,1,0,0,0,0|2,0,0]=3 1836 B15R2.10252 FCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015361967 [0,1,0,0,0,0|2,0,0]=3 1837 B15R2.10252 FCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100015361967 [0,1,0,0,0,0|3,0,0]=4 1838 B15R2.10252 FCOc1cnc2cc(ccc2c1)F 34a_100012184162_100015361967 [0,1,0,0,0,0|2,0,0]=3 1839 B15R2.10252 FCOc1cnc2cc(ccc2c1)F 7a_100012184162_100015361967 [0,1,0,0,0,0|2,0,0]=3 1840 B15R2.10252 FCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100015361967 [0,1,0,0,0,0|1,1,0]=3 1841 B15R2.10252 FCSc1ccc2cc(ccc2c1)Br 62a_100015361967_100012344972 [0,1,0,0,0,0|1,1,0]=3 1842 B15R2.10252 FCSc1ccc2cc(ccc2c1)F 62a_100009817052_100015361967 [0,1,0,0,0,0|1,1,0]=3 1843 B15R2.10252 FCSc1ccc2cc(ccc2c1)F 62a_100015361967_100009817052 [0,1,0,0,0,0|1,1,0]=3 1844 B15R2.10252 FCSc1ccc2cc(ccc2n1)F 62a_100015361967_100011998705 [0,1,0,0,0,0|2,1,0]=4 1845 B15R2.10252 FCSc1ccc2cc(ccc2n1)F 62a_200012355665_100015361967 [0,1,0,0,0,0|2,1,0]=4 1846 B15R2.10252 FCSc1ccc2cc(cnc2c1)Br 62a_100015361967_200015509644 [0,1,0,0,0,0|2,1,0]=4 1847 B15R2.10252 FCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100015361967 [0,1,0,0,0,0|2,1,0]=4 1848 B15R2.10252 FCSc1ccc2cc(cnc2c1)F 62a_100010751466_100015361967 [0,1,0,0,0,0|2,1,0]=4 1849 B15R2.10252 FCSc1ccc2cc(cnc2c1)F 62a_100015361967_100010751466 [0,1,0,0,0,0|2,1,0]=4 1850 B15R2.10252 FCSc1ccc2nc(ccc2c1)Cl 62a_100015361967_200012034268 [0,1,0,0,0,0|2,1,0]=4 1851 B15R2.10252 FCSc1cnc2cc(ccc2c1)Cl 62a_100015361967_100015716233 [0,1,0,0,0,0|2,1,0]=4 1852 B15R2.10252 FCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100015361967 [0,1,0,0,0,0|2,1,0]=4 1853 B15R2.10252 Nc1cc2ccc(cc2cn1)SCF 62a_100010232990_100015361967 [0,1,0,0,0,0|2,1,0]=4 1854 B15R2.10252 Nc1cc2ccc(cc2cn1)SCF 62a_100015361967_100010232990 [0,1,0,0,0,0|2,1,0]=4 1855 B15R2.10252 Nc1ccc2cc(ccc2c1)SCF 62a_100000185457_100015361967 [0,1,0,0,0,0|1,1,0]=3 1856 B15R2.10252 Nc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000185457 [0,1,0,0,0,0|1,1,0]=3 1857 B15R2.10252 Nc1ccc2cc(ccc2n1)SCF 62a_100011934619_100015361967 [0,1,0,0,0,0|2,1,0]=4 1858 B15R2.10252 Nc1ccc2cc(cnc2c1)SCF 62a_100015361967_200010264087 [0,1,0,0,0,0|2,1,0]=4 1859 B15R2.10252 Nc1ccc2cc(cnc2c1)SCF 62a_200010264087_100015361967 [0,1,0,0,0,0|2,1,0]=4 1860 B15R2.10252 Nc1cnc2cc(ccc2c1)SCF 62a_100010142226_100015361967 [0,1,0,0,0,0|2,1,0]=4 1861 B15R2.10252 Nc1cnc2cc(ccc2c1)SCF 62a_100015361967_100010142226 [0,1,0,0,0,0|2,1,0]=4 1862 B15R2.10252 O=c1ccc2cc(ccc2[nH]1)SCF 62a_100015361967_100011934725 [0,1,0,0,0,0|2,1,0]=4 1863 B15R2.10252 O=c1ccc2cc(ccc2o1)NCF 7a_100000008519_100015361967 [0,1,0,0,0,0|3,0,0]=4 1864 B15R2.10252 O=c1ccc2cc(ccc2o1)OCF 34a_100000066265_100015361967 [0,1,0,0,0,0|2,0,0]=3 1865 B15R2.10252 O=c1ccc2cc(ccc2o1)OCF 7a_100000066265_100015361967 [0,1,0,0,0,0|2,0,0]=3 1866 B15R2.10252 O=c1ccc2cc(ccc2o1)SCF 62a_100015361967_100009999946 [0,1,0,0,0,0|2,1,0]=4 1867 B15R2.10252 Oc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000185455 [0,1,0,0,0,0|1,1,0]=3 1868 B15R2.10252 Oc1ccc2cc(cnc2c1)SCF 62a_100015361967_200010153753 [0,1,0,0,0,0|2,1,0]=4 1869 B15R2.10252 Oc1ccc2nc(ccc2c1)SCF 62a_100015361967_100009849208 [0,1,0,0,0,0|2,1,0]=4 1870 B15R2.10252 [13CH3]NCc1ccc2cc(ccc2c1)O 34a_200000083168_200025704644 [0,1,0,0,0,0|2,0,0]=3 1871 B15R2.10252 [13CH3]OCc1ccc2cc(ccc2c1)Br 34a_100012356509_200025704644 [0,1,0,0,0,0|2,0,0]=3 1872 B15R2.10252 [13CH3]OCc1ccc2cc(ccc2c1)Br 7a_100012356509_200025704644 [0,1,0,0,0,0|2,0,0]=3 1873 B15R2.10252 [13CH3]SCc1cc2ccc(cc2cn1)Cl 62a_200010408301_200025704644 [0,1,0,0,0,0|3,0,0]=4 1874 B15R2.10252 [13CH3]SCc1cc2ccc(cc2cn1)Cl 62a_200025704644_200010408301 [0,1,0,0,0,0|3,0,0]=4 1875 B15R2.10252 [13CH3]SCc1ccc2cc(ccc2c1)Br 62a_100012356510_200025704644 [0,1,0,0,0,0|2,0,0]=3 1876 B15R2.10252 [13CH3]SCc1ccc2cc(ccc2c1)Br 62a_200025704644_100012356510 [0,1,0,0,0,0|2,0,0]=3 1877 B15R2.10252 [13CH3]SCc1ccc2oc(=O)ccc2c1 62a_200025704644_200010983872 [0,1,0,0,0,0|3,0,0]=4 1878 B15R2.54379 C=C=Cc1ccc2c(cccc2c1)N 271570a_100015277604_100010090037 [0,1,0,0,0,0|1,0,2]=4 1879 B15R2.54379 C=C=Cc1ccc2c(cccc2c1)O 271570a_100015277604_100010202202 [0,1,0,0,0,0|1,0,2]=4 1880 B15R2.54379 CC=Cc1ccc2c(=O)ccoc2c1 271570a_100016259895_100010062221 [0,1,0,0,0,0|2,0,1]=4 1881 B15R2.54379 CC=Cc1ccc2c(cccc2c1)N 271570a_100016259895_100010090037 [0,1,0,0,0,0|1,0,1]=3 1882 B15R2.54379 CC=Cc1ccc2c(cccc2c1)O 271570a_100016259895_100010202202 [0,1,0,0,0,0|1,0,1]=3 1883 B15R2.54379 CC=Cc1ccc2c(ccnc2c1)C 271570a_100016259895_100010132309 [0,1,0,0,0,0|2,0,1]=4 1884 B15R2.54379 CC=Cc1ccc2c(ccnc2c1)Cl 271570a_100016259895_100009996786 [0,1,0,0,0,0|2,0,1]=4 1885 B15R2.54379 CC=Cc1ccc2c(ccnc2c1)N 271570a_100016259895_200009816820 [0,1,0,0,0,0|2,0,1]=4 1886 B15R2.54379 CC=Cc1ccc2c(ccnc2c1)O 271570a_100016259895_100000756855 [0,1,0,0,0,0|2,0,1]=4 1887 B15R2.54379 CC=Cc1ccc2c(nccc2c1)N 271570a_100016259895_100000732483 [0,1,0,0,0,0|2,0,1]=4 1888 B15R2.54379 CC=Cc1ccc2c(nccc2c1)O 271570a_100016259895_100000760485 [0,1,0,0,0,0|2,0,1]=4 1889 B15R2.54379 CC=Cc1cnc2c(cccc2c1)Br 271570a_100016259895_100010204298 [0,1,0,0,0,0|2,0,1]=4 1890 B15R2.54379 CC=Cc1cnc2c(cccc2c1)C 271570a_100016259895_100009829671 [0,1,0,0,0,0|2,0,1]=4 1891 B15R2.54379 CC=Cc1cnc2c(cccc2c1)Cl 271570a_100016259895_100000759377 [0,1,0,0,0,0|2,0,1]=4 1892 B15R2.54379 CC=Cc1cnc2c(cccc2c1)F 271570a_100016259895_100000049890 [0,1,0,0,0,0|2,0,1]=4 1893 B15R2.54379 CC=Cc1cnc2c(cccc2c1)N 271570a_100016259895_100000702407 [0,1,0,0,0,0|2,0,1]=4 1894 B15R2.54379 CCNc1cc2[nH]ccc(=O)c2cn1 27a_100015525214_100000101246 [0,1,0,0,0,0|3,0,0]=4 1895 B15R2.54379 CCNc1cc2ccnc(c2cn1)O 27a_100015525214_100020669822 [0,1,0,0,0,0|3,0,0]=4 1896 B15R2.54379 CCNc1ccc2c(=O)[nH]cnc2c1 27a_100015525214_100000230960 [0,1,0,0,0,0|3,0,0]=4 1897 B15R2.54379 CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210202 [0,1,0,0,0,0|1,0,0]=2 1898 B15R2.54379 CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210202 [0,1,0,0,0,0|1,0,0]=2 1899 B15R2.54379 CCNc1ccc2c(ccnc2c1)Cl 27a_100015525214_100009996786 [0,1,0,0,0,0|2,0,0]=3 1900 B15R2.54379 CCNc1ccc2c(ncnc2c1)N 27a_100015525214_100010199758 [0,1,0,0,0,0|3,0,0]=4 1901 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210202 [0,1,0,0,0,0|1,0,0]=2 1902 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210202 [0,1,0,0,0,0|1,0,0]=2 1903 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210202 [0,1,0,0,0,0|1,0,0]=2 1904 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210202 [0,1,0,0,0,0|1,0,0]=2 1905 B15R2.54379 CCOc1ccc2c(c1)CCCC2=O 7a_100000746981_100000210202 [0,1,0,0,0,0|0,0,3]=4 1906 B15R2.54379 CCOc1ccc2c(c1)CCNC2=O 34a_100000087030_100000210202 [0,1,0,0,0,0|1,0,2]=4 1907 B15R2.54379 CCOc1ccc2c(c1)CCNC2=O 7a_100000087030_100000210202 [0,1,0,0,0,0|1,0,2]=4 1908 B15R2.54379 CCOc1ccc2c(c1)OCCC2=O 34a_100000089553_100000210202 [0,1,0,0,0,0|1,0,2]=4 1909 B15R2.54379 CCOc1ccc2c(c1)OCCC2=O 7a_100000089553_100000210202 [0,1,0,0,0,0|1,0,2]=4 1910 B15R2.54379 CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210202 [0,1,0,0,0,0|0,0,0]=1 1911 B15R2.54379 CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210202 [0,1,0,0,0,0|0,0,0]=1 1912 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210202 [0,1,0,0,0,0|1,0,0]=2 1913 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210202 [0,1,0,0,0,0|1,0,0]=2 1914 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210202 [0,1,0,0,0,0|1,0,0]=2 1915 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210202 [0,1,0,0,0,0|1,0,0]=2 1916 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210202 [0,1,0,0,0,0|1,0,0]=2 1917 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210202 [0,1,0,0,0,0|1,0,0]=2 1918 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210202 [0,1,0,0,0,0|1,0,0]=2 1919 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210202 [0,1,0,0,0,0|1,0,0]=2 1920 B15R2.54379 CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210202 [0,1,0,0,0,0|1,0,0]=2 1921 B15R2.54379 CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210202 [0,1,0,0,0,0|1,0,0]=2 1922 B15R2.54379 CCSc1cc2[nH]ccc(=O)c2cn1 62a_100000210202_100000101246 [0,1,0,0,0,0|2,1,0]=4 1923 B15R2.54379 CCSc1cc2cc[nH]c(=O)c2cn1 62a_100010134373_100000210202 [0,1,0,0,0,0|2,1,0]=4 1924 B15R2.54379 CCSc1cc2ccnc(c2cn1)O 62a_100000210202_100020669822 [0,1,0,0,0,0|2,1,0]=4 1925 B15R2.54379 CCSc1ccc2c(=O)[nH]cnc2c1 62a_100000210202_100000230960 [0,1,0,0,0,0|2,1,0]=4 1926 B15R2.54379 CCSc1ccc2c(=O)ccoc2c1 62a_100000210202_100010062221 [0,1,0,0,0,0|1,1,0]=3 1927 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100000210202_100010090037 [0,1,0,0,0,0|0,1,0]=2 1928 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210202 [0,1,0,0,0,0|0,1,0]=2 1929 B15R2.54379 CCSc1ccc2c(cccc2c1)O 62a_100000210202_100010202202 [0,1,0,0,0,0|0,1,0]=2 1930 B15R2.54379 CCSc1ccc2c(ccnc2c1)C 62a_100000210202_100010132309 [0,1,0,0,0,0|1,1,0]=3 1931 B15R2.54379 CCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000210202 [0,1,0,0,0,0|1,1,0]=3 1932 B15R2.54379 CCSc1ccc2c(ccnc2c1)Cl 62a_100000210202_100009996786 [0,1,0,0,0,0|1,1,0]=3 1933 B15R2.54379 CCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210202 [0,1,0,0,0,0|1,1,0]=3 1934 B15R2.54379 CCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210202 [0,1,0,0,0,0|1,1,0]=3 1935 B15R2.54379 CCSc1ccc2c(ccnc2c1)O 62a_100000210202_100000756855 [0,1,0,0,0,0|1,1,0]=3 1936 B15R2.54379 CCSc1ccc2c(nccc2c1)N 62a_100000210202_100000732483 [0,1,0,0,0,0|1,1,0]=3 1937 B15R2.54379 CCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210202 [0,1,0,0,0,0|1,1,0]=3 1938 B15R2.54379 CCSc1ccc2c(nccc2c1)O 62a_100000210202_100000760485 [0,1,0,0,0,0|1,1,0]=3 1939 B15R2.54379 CCSc1ccc2c(ncnc2c1)N 62a_100000210202_100010199758 [0,1,0,0,0,0|2,1,0]=4 1940 B15R2.54379 CCSc1ccc2c(ncnc2c1)N 62a_100010199758_100000210202 [0,1,0,0,0,0|2,1,0]=4 1941 B15R2.54379 CCSc1ccc2c(nncc2c1)O 62a_100000210202_100000724280 [0,1,0,0,0,0|2,1,0]=4 1942 B15R2.54379 CCSc1cnc2c(cccc2c1)Br 62a_100000210202_100010204298 [0,1,0,0,0,0|1,1,0]=3 1943 B15R2.54379 CCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210202 [0,1,0,0,0,0|1,1,0]=3 1944 B15R2.54379 CCSc1cnc2c(cccc2c1)C 62a_100000210202_100009829671 [0,1,0,0,0,0|1,1,0]=3 1945 B15R2.54379 CCSc1cnc2c(cccc2c1)Cl 62a_100000210202_100000759377 [0,1,0,0,0,0|1,1,0]=3 1946 B15R2.54379 CCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210202 [0,1,0,0,0,0|1,1,0]=3 1947 B15R2.54379 CCSc1cnc2c(cccc2c1)F 62a_100000210202_100000049890 [0,1,0,0,0,0|1,1,0]=3 1948 B15R2.54379 CCSc1cnc2c(cccc2c1)N 62a_100000210202_100000702407 [0,1,0,0,0,0|1,1,0]=3 1949 B15R2.54379 CCSc1cnc2c(nccc2c1)O 62a_100000210202_100010117065 [0,1,0,0,0,0|2,1,0]=4 1950 B15R2.54379 CNCc1ccc2c(ccnc2c1)Br 26a_100102657272_100010204257 [0,1,0,0,0,0|3,0,0]=4 1951 B15R2.54379 Cc1cccc2c1ncc(c2)SCF 62a_100015361967_100009829671 [0,1,0,0,0,0|2,1,0]=4 1952 B15R2.54379 Cc1ccnc2c1ccc(c2)OCF 34a_200009854145_100015361967 [0,1,0,0,0,0|2,0,0]=3 1953 B15R2.54379 Cc1ccnc2c1ccc(c2)OCF 7a_200009854145_100015361967 [0,1,0,0,0,0|2,0,0]=3 1954 B15R2.54379 Cc1ccnc2c1ccc(c2)SCF 62a_100010132309_100015361967 [0,1,0,0,0,0|2,1,0]=4 1955 B15R2.54379 Cc1ccnc2c1ccc(c2)SCF 62a_100015361967_100010132309 [0,1,0,0,0,0|2,1,0]=4 1956 B15R2.54379 FCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100015361967 [0,1,0,0,0,0|2,0,0]=3 1957 B15R2.54379 FCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100015361967 [0,1,0,0,0,0|2,0,0]=3 1958 B15R2.54379 FCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015361967 [0,1,0,0,0,0|2,0,0]=3 1959 B15R2.54379 FCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015361967 [0,1,0,0,0,0|2,0,0]=3 1960 B15R2.54379 FCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100015361967 [0,1,0,0,0,0|2,0,0]=3 1961 B15R2.54379 FCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100015361967 [0,1,0,0,0,0|2,0,0]=3 1962 B15R2.54379 FCOc1cnc2c(cccc2c1)F 34a_100012184956_100015361967 [0,1,0,0,0,0|2,0,0]=3 1963 B15R2.54379 FCOc1cnc2c(cccc2c1)F 7a_100012184956_100015361967 [0,1,0,0,0,0|2,0,0]=3 1964 B15R2.54379 FCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100015361967 [0,1,0,0,0,0|2,1,0]=4 1965 B15R2.54379 FCSc1ccc2c(ccnc2c1)Cl 62a_100015361967_100009996786 [0,1,0,0,0,0|2,1,0]=4 1966 B15R2.54379 FCSc1cnc2c(cccc2c1)Br 62a_100010204298_100015361967 [0,1,0,0,0,0|2,1,0]=4 1967 B15R2.54379 FCSc1cnc2c(cccc2c1)Br 62a_100015361967_100010204298 [0,1,0,0,0,0|2,1,0]=4 1968 B15R2.54379 FCSc1cnc2c(cccc2c1)Cl 62a_100015361967_100000759377 [0,1,0,0,0,0|2,1,0]=4 1969 B15R2.54379 FCSc1cnc2c(cccc2c1)F 62a_100000049890_100015361967 [0,1,0,0,0,0|2,1,0]=4 1970 B15R2.54379 FCSc1cnc2c(cccc2c1)F 62a_100015361967_100000049890 [0,1,0,0,0,0|2,1,0]=4 1971 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 34a_100000034668_100015361967 [0,1,0,0,0,0|1,0,0]=2 1972 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 7a_100000034668_100015361967 [0,1,0,0,0,0|1,0,0]=2 1973 B15R2.54379 Nc1cccc2c1ccc(c2)SCF 62a_100010090037_100015361967 [0,1,0,0,0,0|1,1,0]=3 1974 B15R2.54379 Nc1cccc2c1ccc(c2)SCF 62a_100015361967_100010090037 [0,1,0,0,0,0|1,1,0]=3 1975 B15R2.54379 Nc1cccc2c1ncc(c2)SCF 62a_100015361967_100000702407 [0,1,0,0,0,0|2,1,0]=4 1976 B15R2.54379 Nc1ccnc2c1ccc(c2)SCF 62a_200009816820_100015361967 [0,1,0,0,0,0|2,1,0]=4 1977 B15R2.54379 Nc1nccc2c1ccc(c2)SCF 62a_100000732483_100015361967 [0,1,0,0,0,0|2,1,0]=4 1978 B15R2.54379 Nc1nccc2c1ccc(c2)SCF 62a_100015361967_100000732483 [0,1,0,0,0,0|2,1,0]=4 1979 B15R2.54379 O=c1[nH]ccc2c1ccc(c2)OCF 34a_100009857879_100015361967 [0,1,0,0,0,0|2,0,0]=3 1980 B15R2.54379 O=c1[nH]ccc2c1ccc(c2)OCF 7a_100009857879_100015361967 [0,1,0,0,0,0|2,0,0]=3 1981 B15R2.54379 O=c1ccoc2c1ccc(c2)OCF 34a_200000065989_100015361967 [0,1,0,0,0,0|2,0,0]=3 1982 B15R2.54379 O=c1ccoc2c1ccc(c2)OCF 7a_200000065989_100015361967 [0,1,0,0,0,0|2,0,0]=3 1983 B15R2.54379 O=c1ccoc2c1ccc(c2)SCF 62a_100015361967_100010062221 [0,1,0,0,0,0|2,1,0]=4 1984 B15R2.54379 Oc1cccc2c1ccc(c2)NCF 34a_100000035793_100015361967 [0,1,0,0,0,0|2,0,0]=3 1985 B15R2.54379 Oc1cccc2c1ccc(c2)NCF 7a_100000035793_100015361967 [0,1,0,0,0,0|2,0,0]=3 1986 B15R2.54379 Oc1cccc2c1ccc(c2)SCF 62a_100015361967_100010202202 [0,1,0,0,0,0|1,1,0]=3 1987 B15R2.54379 Oc1ccnc2c1ccc(c2)SCF 62a_100015361967_100000756855 [0,1,0,0,0,0|2,1,0]=4 1988 B15R2.54379 Oc1nccc2c1ccc(c2)SCF 62a_100015361967_100000760485 [0,1,0,0,0,0|2,1,0]=4 1989 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,0,1,0,0,0|2,0,0]=3 1990 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,0,1,0,0,0|3,0,0]=4 1991 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [0,0,1,0,0,0|3,0,0]=4 1992 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [0,0,1,0,0,0|3,0,0]=4 1993 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,0,1,0,0,0|2,0,0]=3 1994 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,0,1,0,0,0|3,0,0]=4 1995 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,0,1,0,0,0|3,0,0]=4 1996 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [0,0,1,0,0,0|3,0,0]=4 1997 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [0,0,1,0,0,0|3,0,0]=4 1998 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [0,0,1,0,0,0|3,0,0]=4 1999 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,0,1,0,0,0|1,0,0]=2 2000 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,0,1,0,0,0|2,0,0]=3 2001 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,0,1,0,0,0|2,0,0]=3 2002 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,0,1,0,0,0|3,0,0]=4 2003 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,0,1,0,0,0|2,0,0]=3 2004 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,0,1,0,0,0|3,0,0]=4 2005 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [0,0,1,0,0,0|3,0,0]=4 2006 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,0,1,0,0,0|3,0,0]=4 2007 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [0,0,1,0,0,0|3,0,0]=4 2008 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,0,1,0,0,0|3,0,0]=4 2009 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,0,1,0,0,0|2,0,1]=4 2010 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,0,1,0,0,0|2,0,1]=4 2011 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,0,1,0,0,0|2,0,1]=4 2012 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,0,1,0,0,0|2,0,1]=4 2013 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,0,1,0,0,0|2,0,1]=4 2014 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,0,1,0,0,0|3,0,0]=4 2015 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,0,1,0,0,0|3,0,0]=4 2016 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,0,1,0,0,0|3,0,0]=4 2017 B13R1.77 C=CCNc1ccc(cc1)CCC 2230a_100000211780_100000210623 [0,0,1,0,0,0|2,0,1]=4 2018 B13R1.77 C=CCNc1ccc(cc1)CCC 34a_100000211780_100015514636 [0,0,1,0,0,0|2,0,1]=4 2019 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,0,1,0,0,0|1,0,1]=3 2020 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,0,1,0,0,0|1,0,1]=3 2021 B13R1.77 C=CCNc1ccc(cc1)SCC 34a_100015187087_100015514636 [0,0,1,0,0,0|1,1,1]=4 2022 B13R1.77 C=CCOc1ccc(cc1)CCC 34a_100000749406_100015514636 [0,0,1,0,0,0|2,0,1]=4 2023 B13R1.77 C=CCOc1ccc(cc1)CCC 7a_100000749406_100015514636 [0,0,1,0,0,0|2,0,1]=4 2024 B13R1.77 C=CCOc1ccc(cc1)NCC 34a_100011337800_100015514636 [0,0,1,0,0,0|2,0,1]=4 2025 B13R1.77 C=CCOc1ccc(cc1)NCC 7a_100011337800_100015514636 [0,0,1,0,0,0|2,0,1]=4 2026 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,0,1,0,0,0|1,0,1]=3 2027 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000172055_100000210202 [0,0,1,0,0,0|1,1,1]=4 2028 B13R1.77 C=CCOc1ccc(cc1)SCC 62a_100000210202_100000172055 [0,0,1,0,0,0|1,1,1]=4 2029 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000210623_100000750032 [0,0,1,0,0,0|2,0,1]=4 2030 B13R1.77 C=CCSc1ccc(cc1)CCC 62a_100000750032_100000210623 [0,0,1,0,0,0|2,0,1]=4 2031 B13R1.77 C=CCSc1ccc(cc1)NCC 62a_100000210623_100000219632 [0,0,1,0,0,0|2,0,1]=4 2032 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,0,1,0,0,0|1,0,1]=3 2033 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_100000210623_200009811893 [0,0,1,0,0,0|1,1,1]=4 2034 B13R1.77 C=CCSc1ccc(cc1)SCC 62a_200009811893_100000210623 [0,0,1,0,0,0|1,1,1]=4 2035 B13R1.77 C=CCSc1ccc(cn1)OCC 62a_100000210623_100000753957 [0,0,1,0,0,0|2,0,1]=4 2036 B13R1.77 C=CCSc1ccc(cn1)OCC 62a_100012355646_100000210623 [0,0,1,0,0,0|2,0,1]=4 2037 B13R1.77 C=CCSc1ccc(nc1)OCC 62a_100000210623_100011219444 [0,0,1,0,0,0|2,0,1]=4 2038 B13R1.77 C=CCSc1ccc(nc1)OCC 62a_100011219444_100000210623 [0,0,1,0,0,0|2,0,1]=4 2039 B13R1.77 CC=NNc1ccc(cc1)OCC 4a_100000738955_200000210099 [0,0,1,0,0,0|2,0,1]=4 2040 B13R1.77 CCOc1ccc(cc1)NCC=O 2230a_100000739623_200015260668 [0,0,1,0,0,0|2,0,1]=4 2041 B13R1.77 CCOc1ccc(cc1)NCC=O 34a_100000739623_200009817547 [0,0,1,0,0,0|2,0,1]=4 2042 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [0,0,1,0,0,0|2,0,1]=4 2043 B13R1.77 CCOc1ccc(cc1)SCC=O 62a_200015260668_100000171712 [0,0,1,0,0,0|2,0,1]=4 2044 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100000210202_100016291818 [0,0,1,0,0,0|1,1,0]=3 2045 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210202 [0,0,1,0,0,0|1,1,0]=3 2046 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100000210202_100020630460 [0,0,1,0,0,0|1,1,1]=4 2047 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100020630460_100000210202 [0,0,1,0,0,0|1,1,1]=4 2048 B13R1.77 O=C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016291818 [0,0,1,0,0,0|2,1,0]=4 2049 B13R1.77 O=C/C=C/c1ccc(cc1)SCF 62a_100016291818_100015361967 [0,0,1,0,0,0|2,1,0]=4 2050 B13R1.84 C=Cc1ccccc1C=NNCC 4a_100000756455_200011996377 [0,0,1,0,0,0|2,0,0]=3 2051 B13R1.84 C=Cc1ccccc1CNCCC 271570a_100011290941_100000196483 [0,0,1,0,0,0|2,0,1]=4 2052 B13R1.84 C=Cc1ccccc1COCCC 34a_200010883148_100000210303 [0,0,1,0,0,0|2,0,1]=4 2053 B13R1.84 C=Cc1ccccc1COCCC 7a_200010883148_100000210303 [0,0,1,0,0,0|2,0,1]=4 2054 B13R1.84 C=Cc1ccccc1CSCCC 271570a_100011290941_200000173363 [0,0,1,0,0,0|2,0,1]=4 2055 B13R1.84 C=Cc1ccccc1NCCCC 34a_100012022501_100000210210 [0,0,1,0,0,0|2,0,1]=4 2056 B13R1.84 C=Cc1ccccc1OCCCC 271570a_100011290941_100000230755 [0,0,1,0,0,0|2,0,1]=4 2057 B13R1.84 C=Cc1ccccc1SCCCC 62a_100000210211_100011218376 [0,0,1,0,0,0|2,0,1]=4 2058 B13R1.84 C=Cc1ccccc1SCCCC 62a_100011218376_100000210210 [0,0,1,0,0,0|2,0,1]=4 2059 B13R1.84 C=Cc1ccccc1SCOCC 62a_100000739092_100011218376 [0,0,1,0,0,0|1,0,1]=3 2060 B13R1.84 C=Cc1ccccc1SCOCC 62a_100011218376_100000739092 [0,0,1,0,0,0|1,0,1]=3 2061 B13R1.84 CCCC=Cc1ccccc1C#N 271570a_100016258520_100000188569 [0,0,1,0,0,0|2,0,1]=4 2062 B13R1.84 CCCC=Cc1ccccc1C=O 271570a_100016258520_100000211189 [0,0,1,0,0,0|2,0,0]=3 2063 B13R1.84 CCCC=Cc1ccccc1CC 271570a_100016258520_100011215823 [0,0,1,0,0,0|1,0,2]=4 2064 B13R1.84 CCCC=Cc1ccccc1CN 271570a_100016258520_100000689332 [0,0,1,0,0,0|2,0,1]=4 2065 B13R1.84 CCCC=Cc1ccccc1CO 271570a_100016258520_100000187465 [0,0,1,0,0,0|2,0,1]=4 2066 B13R1.84 CCCC=Cc1ccccc1NC 271570a_100016258520_100020606079 [0,0,1,0,0,0|2,0,1]=4 2067 B13R1.84 CCCC=Cc1ccccc1NN 271570a_100016258520_100000241748 [0,0,1,0,0,0|3,0,0]=4 2068 B13R1.84 CCCC=Cc1ccccc1OC 271570a_100016258520_100000174000 [0,0,1,0,0,0|2,0,1]=4 2069 B13R1.84 CCCC=Cc1ccccc1SC 271570a_100016258520_100011217816 [0,0,1,0,0,0|2,0,1]=4 2070 B13R1.84 CCCC=Cc1cccnc1C=O 271570a_100016258520_100011934733 [0,0,1,0,0,0|3,0,0]=4 2071 B13R1.84 CCCC=Cc1ccncc1C=O 271570a_100016258520_100000050567 [0,0,1,0,0,0|3,0,0]=4 2072 B13R1.84 CCCC=Cc1cnccc1C=O 271570a_100016258520_100011934409 [0,0,1,0,0,0|3,0,0]=4 2073 B13R1.84 CCCC=Cc1ncccc1C=O 271570a_100016258520_100009816751 [0,0,1,0,0,0|3,0,0]=4 2074 B13R1.84 CCOC=Cc1ccccc1C#N 271570a_100016256518_100000188569 [0,0,1,0,0,0|1,0,1]=3 2075 B13R1.84 CCOC=Cc1ccccc1C=O 271570a_100016256518_100000211189 [0,0,1,0,0,0|1,0,0]=2 2076 B13R1.84 CCOC=Cc1ccccc1CC 271570a_100016256518_100011215823 [0,0,1,0,0,0|0,0,2]=3 2077 B13R1.84 CCOC=Cc1ccccc1CN 271570a_100016256518_100000689332 [0,0,1,0,0,0|1,0,1]=3 2078 B13R1.84 CCOC=Cc1ccccc1CO 271570a_100016256518_100000187465 [0,0,1,0,0,0|1,0,1]=3 2079 B13R1.84 CCOC=Cc1ccccc1NC 271570a_100016256518_100020606079 [0,0,1,0,0,0|1,0,1]=3 2080 B13R1.84 CCOC=Cc1ccccc1NN 271570a_100016256518_100000241748 [0,0,1,0,0,0|2,0,0]=3 2081 B13R1.84 CCOC=Cc1ccccc1OC 271570a_100016256518_100000174000 [0,0,1,0,0,0|1,0,1]=3 2082 B13R1.84 CCOC=Cc1ccccc1SC 271570a_100016256518_100011217816 [0,0,1,0,0,0|1,0,1]=3 2083 B13R1.84 CCOC=Cc1cccnc1C#N 271570a_100016256518_100000685805 [0,0,1,0,0,0|2,0,1]=4 2084 B13R1.84 CCOC=Cc1cccnc1C=O 271570a_100016256518_100011934733 [0,0,1,0,0,0|2,0,0]=3 2085 B13R1.84 CCOC=Cc1cccnc1CC 271570a_100016256518_100009877225 [0,0,1,0,0,0|1,0,2]=4 2086 B13R1.84 CCOC=Cc1cccnc1CN 271570a_100016256518_100020591323 [0,0,1,0,0,0|2,0,1]=4 2087 B13R1.84 CCOC=Cc1cccnc1CO 271570a_100016256518_100011996772 [0,0,1,0,0,0|2,0,1]=4 2088 B13R1.84 CCOC=Cc1cccnc1NC 271570a_100016256518_100000700899 [0,0,1,0,0,0|2,0,1]=4 2089 B13R1.84 CCOC=Cc1cccnc1NN 271570a_100016256518_100011464834 [0,0,1,0,0,0|3,0,0]=4 2090 B13R1.84 CCOC=Cc1cccnc1OC 271570a_100016256518_100000047025 [0,0,1,0,0,0|2,0,1]=4 2091 B13R1.84 CCOC=Cc1cccnc1SC 271570a_100016256518_100011465278 [0,0,1,0,0,0|2,0,1]=4 2092 B13R1.84 CCOC=Cc1ccncc1C#N 271570a_100016256518_100000687039 [0,0,1,0,0,0|2,0,1]=4 2093 B13R1.84 CCOC=Cc1ccncc1C=O 271570a_100016256518_100000050567 [0,0,1,0,0,0|2,0,0]=3 2094 B13R1.84 CCOC=Cc1ccncc1CC 271570a_100016256518_100025704421 [0,0,1,0,0,0|1,0,2]=4 2095 B13R1.84 CCOC=Cc1ccncc1CO 271570a_100016256518_100000117392 [0,0,1,0,0,0|2,0,1]=4 2096 B13R1.84 CCOC=Cc1ccncc1OC 271570a_100016256518_100016988167 [0,0,1,0,0,0|2,0,1]=4 2097 B13R1.84 CCOC=Cc1cnccc1C#N 271570a_100016256518_100000684818 [0,0,1,0,0,0|2,0,1]=4 2098 B13R1.84 CCOC=Cc1cnccc1C=O 271570a_100016256518_100011934409 [0,0,1,0,0,0|2,0,0]=3 2099 B13R1.84 CCOC=Cc1cnccc1CC 271570a_100016256518_100009819861 [0,0,1,0,0,0|1,0,2]=4 2100 B13R1.84 CCOC=Cc1cnccc1CN 271570a_100016256518_100020640021 [0,0,1,0,0,0|2,0,1]=4 2101 B13R1.84 CCOC=Cc1cnccc1CO 271570a_100016256518_100009873359 [0,0,1,0,0,0|2,0,1]=4 2102 B13R1.84 CCOC=Cc1cnccc1NC 271570a_100016256518_100010069531 [0,0,1,0,0,0|2,0,1]=4 2103 B13R1.84 CCOC=Cc1cnccc1NN 271570a_100016256518_100013404636 [0,0,1,0,0,0|3,0,0]=4 2104 B13R1.84 CCOC=Cc1cnccc1OC 271570a_100016256518_100011997281 [0,0,1,0,0,0|2,0,1]=4 2105 B13R1.84 CCOC=Cc1ncccc1C#N 271570a_100016256518_100000211984 [0,0,1,0,0,0|2,0,1]=4 2106 B13R1.84 CCOC=Cc1ncccc1C=O 271570a_100016256518_100009816751 [0,0,1,0,0,0|2,0,0]=3 2107 B13R1.84 CCOC=Cc1ncccc1CN 271570a_100016256518_100015189234 [0,0,1,0,0,0|2,0,1]=4 2108 B13R1.84 CCOC=Cc1ncccc1CO 271570a_100016256518_100000748726 [0,0,1,0,0,0|2,0,1]=4 2109 B13R1.84 CCOC=Cc1ncccc1NC 271570a_100016256518_200011806188 [0,0,1,0,0,0|2,0,1]=4 2110 B13R1.84 CCOC=Cc1ncccc1OC 271570a_100016256518_100000690851 [0,0,1,0,0,0|2,0,1]=4 2111 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [0,0,1,0,0,0|1,0,2]=4 2112 B13R1.84 CCOCSc1ccccc1C=O 62a_100000210073_100000739092 [0,0,1,0,0,0|2,0,1]=4 2113 B13R1.84 CCOCSc1ccccc1C=O 62a_100000739092_100000210073 [0,0,1,0,0,0|2,0,1]=4 2114 B13R1.84 COCC=Cc1ccccc1C=O 271570a_100016286323_100000211189 [0,0,1,0,0,0|3,0,0]=4 2115 B13R1.384 C=C=Cc1cc(ccc1C)OCC 271570a_100015277604_100011099959 [0,0,1,0,0,0|0,0,2]=3 2116 B13R1.384 CC=Cc1cc(ccc1C)OCC 271570a_100016259895_100011099959 [0,0,1,0,0,0|0,0,2]=3 2117 B13R1.386 C=Cc1cc(ccc1C=O)OCC 271570a_100011290941_200012721597 [0,0,1,0,0,0|1,0,0]=2 2118 B13R1.386 C=Cc1ccc(cc1C=O)OCC 271570a_100011290941_100012345016 [0,0,1,0,0,0|1,0,0]=2 2119 B13R1.386 C=Cc1cnc(cc1C=O)OCC 271570a_100011290941_200010223332 [0,0,1,0,0,0|2,0,0]=3 2120 B13R1.386 CCOc1ccc(c(c1)C=O)SC 62a_100012345016_200000210301 [0,0,1,0,0,0|2,0,1]=4 2121 B13R1.386 CCOc1ccc(c(c1)C=O)SC 62a_200000210301_100012345016 [0,0,1,0,0,0|2,0,1]=4 2122 B13R1.386 CCOc1ccc(c(c1)C=O)S[13CH3] 62a_100012345016_200025704644 [0,0,1,0,0,0|2,0,1]=4 2123 B13R1.386 CCOc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100012345016 [0,0,1,0,0,0|2,0,1]=4 2124 B13R1.386 CCOc1ccc(c(c1)SC)C=O 62a_200000210301_200012721597 [0,0,1,0,0,0|2,0,1]=4 2125 B13R1.386 CCOc1ccc(c(c1)SC)C=O 62a_200012721597_200000210301 [0,0,1,0,0,0|2,0,1]=4 2126 B13R1.386 CCOc1ccc(c(c1)S[13CH3])C=O 62a_200012721597_200025704644 [0,0,1,0,0,0|2,0,1]=4 2127 B13R1.386 CCOc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_200012721597 [0,0,1,0,0,0|2,0,1]=4 2128 B13R1.386 CCSc1ccc(c(c1)C=O)C=O 62a_200010077131_100000210202 [0,0,1,0,0,0|2,1,0]=4 2129 B13R1.388 C=C=Cc1ccc(cc1C)NCC 271570a_100015277604_100015183089 [0,0,1,0,0,0|1,0,2]=4 2130 B13R1.388 C=C=Cc1ccc(cc1C)OCC 271570a_100015277604_100012344538 [0,0,1,0,0,0|0,0,2]=3 2131 B13R1.388 C=C=Cc1ccc(cc1F)CCC 271570a_100015277604_200010686677 [0,0,1,0,0,0|2,0,1]=4 2132 B13R1.388 C=C=Cc1ccc(cc1F)OCC 271570a_100015277604_100000692347 [0,0,1,0,0,0|1,0,1]=3 2133 B13R1.388 C=C=Cc1cnc(cc1C)OCC 271570a_100015277604_200012351029 [0,0,1,0,0,0|1,0,2]=4 2134 B13R1.388 CC=Cc1ccc(cc1C)NCC 271570a_100016259895_100015183089 [0,0,1,0,0,0|1,0,2]=4 2135 B13R1.388 CC=Cc1ccc(cc1C)OCC 271570a_100016259895_100012344538 [0,0,1,0,0,0|0,0,2]=3 2136 B13R1.388 CC=Cc1ccc(cc1F)CCC 271570a_100016259895_200010686677 [0,0,1,0,0,0|2,0,1]=4 2137 B13R1.388 CC=Cc1ccc(cc1F)OCC 271570a_100016259895_100000692347 [0,0,1,0,0,0|1,0,1]=3 2138 B13R1.388 CC=Cc1cnc(cc1C)OCC 271570a_100016259895_200012351029 [0,0,1,0,0,0|1,0,2]=4 2139 B13R1.470 CCOC(=O)Cc1ccccc1O 271570a_203496583355_100011218996 [0,0,1,0,0,0|2,0,1]=4 2140 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [0,0,1,0,0,0|2,0,1]=4 2141 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [0,0,1,0,0,0|1,0,2]=4 2142 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [0,0,1,0,0,0|2,0,1]=4 2143 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [0,0,1,0,0,0|2,0,1]=4 2144 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [0,0,1,0,0,0|2,0,1]=4 2145 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [0,0,1,0,0,0|2,0,1]=4 2146 B13R1.555 CCNCC=Cc1ccccc1Br 270004a_100015525214_200016268969 [0,0,1,0,0,0|2,0,1]=4 2147 B13R1.555 CCNCC=Cc1ccccc1Cl 270004a_100015525214_200102525841 [0,0,1,0,0,0|2,0,1]=4 2148 B13R1.555 CCNCC=Cc1ccccc1F 270004a_100015525214_200102525844 [0,0,1,0,0,0|2,0,1]=4 2149 B13R1.567 C=CCNc1cc(ccn1)OCC 27a_100020586998_100009995529 [0,0,1,0,0,0|2,0,1]=4 2150 B13R1.567 C=CCNc1cccc(c1)OCC 2230a_100000742568_100000210623 [0,0,1,0,0,0|1,0,1]=3 2151 B13R1.567 C=CCNc1cccc(c1)OCC 34a_100000742568_100015514636 [0,0,1,0,0,0|1,0,1]=3 2152 B13R1.567 C=CCOc1cccc(c1)CCC 34a_100000039106_100015514636 [0,0,1,0,0,0|2,0,1]=4 2153 B13R1.567 C=CCOc1cccc(c1)CCC 7a_100000039106_100015514636 [0,0,1,0,0,0|2,0,1]=4 2154 B13R1.567 C=CCOc1cccc(c1)NCC 34a_100000717746_100015514636 [0,0,1,0,0,0|2,0,1]=4 2155 B13R1.567 C=CCOc1cccc(c1)NCC 7a_100000717746_100015514636 [0,0,1,0,0,0|2,0,1]=4 2156 B13R1.567 C=CCOc1cccc(c1)OCC 34a_100011215941_100015514636 [0,0,1,0,0,0|1,0,1]=3 2157 B13R1.567 C=CCOc1cccc(c1)OCC 7a_100011215941_100015514636 [0,0,1,0,0,0|1,0,1]=3 2158 B13R1.567 C=CCSc1cc(ccn1)OCC 62a_100000210623_100011922638 [0,0,1,0,0,0|2,0,1]=4 2159 B13R1.567 C=CCSc1cc(ccn1)OCC 62a_100009995529_100000210623 [0,0,1,0,0,0|2,0,1]=4 2160 B13R1.567 C=CCSc1cccc(c1)CCC 62a_100000210623_100000694964 [0,0,1,0,0,0|2,0,1]=4 2161 B13R1.567 C=CCSc1cccc(c1)CCC 62a_100000694964_100000210623 [0,0,1,0,0,0|2,0,1]=4 2162 B13R1.567 C=CCSc1cccc(c1)NCC 62a_100000210623_100000738899 [0,0,1,0,0,0|2,0,1]=4 2163 B13R1.567 C=CCSc1cccc(c1)OCC 62a_100000210623_100000170002 [0,0,1,0,0,0|1,0,1]=3 2164 B13R1.567 C=CCSc1cccc(c1)SCC 62a_100000210623_100000703699 [0,0,1,0,0,0|1,1,1]=4 2165 B13R1.567 C=CCSc1cccc(c1)SCC 62a_100000703699_100000210623 [0,0,1,0,0,0|1,1,1]=4 2166 B13R1.567 C=CCSc1cccc(n1)OCC 62a_100000210623_100000752924 [0,0,1,0,0,0|2,0,1]=4 2167 B13R1.567 C=CCSc1cccc(n1)OCC 62a_100000752924_100000210623 [0,0,1,0,0,0|2,0,1]=4 2168 B13R1.567 C=CCSc1ccnc(c1)OCC 62a_100000210623_100009995528 [0,0,1,0,0,0|2,0,1]=4 2169 B13R1.567 C=CCSc1ccnc(c1)OCC 62a_100009995528_100000210623 [0,0,1,0,0,0|2,0,1]=4 2170 B13R1.567 C=CCSc1cncc(c1)OCC 62a_100000210623_100012029586 [0,0,1,0,0,0|2,0,1]=4 2171 B13R1.567 C=CCSc1cncc(c1)OCC 62a_100012029586_100000210623 [0,0,1,0,0,0|2,0,1]=4 2172 B13R1.567 CCOc1cccc(c1)NCC=O 2230a_100000742568_200015260668 [0,0,1,0,0,0|2,0,1]=4 2173 B13R1.567 CCOc1cccc(c1)NCC=O 34a_100000742568_200009817547 [0,0,1,0,0,0|2,0,1]=4 2174 B13R1.567 CCOc1cccc(c1)OCC=O 34a_100011215941_200009817547 [0,0,1,0,0,0|2,0,1]=4 2175 B13R1.567 CCOc1cccc(c1)OCC=O 7a_100011215941_200015260668 [0,0,1,0,0,0|2,0,1]=4 2176 B13R1.567 CCOc1cccc(c1)SCC=O 62a_200015260668_100000170002 [0,0,1,0,0,0|2,0,1]=4 2177 B15R3.31603 c1cc2cc(ccc2cn1)C3CC3 271570a_100011220607_100009816743 [0,0,0,1,0,0|2,0,0]=3 2178 B15R3.31603 c1cc2cc(ccc2nn1)C3CC3 271570a_100011220607_100010209549 [0,0,0,1,0,0|3,0,0]=4 2179 B15R3.31603 c1cc2ccc(cc2cn1)C3CC3 271570a_100011220607_100000686496 [0,0,0,1,0,0|2,0,0]=3 2180 B15R3.31603 c1cc2ccc(nc2cn1)C3CC3 271570a_100011220607_100000020162 [0,0,0,1,0,0|3,0,0]=4 2181 B15R3.31603 c1cc2cnncc2cc1C3CC3 271570a_100011220607_100010198781 [0,0,0,1,0,0|3,0,0]=4 2182 B15R3.31603 c1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000233703 [0,0,0,1,0,0|1,0,0]=2 2183 B15R3.31603 c1ccc2cc(ncc2c1)C3CC3 271570a_100011220607_100000047361 [0,0,0,1,0,0|2,0,0]=3 2184 B15R3.31603 c1ccc2nc(ccc2c1)C3CC3 271570a_100011220607_100011291633 [0,0,0,1,0,0|2,0,0]=3 2185 B15R3.31603 c1ccc2nc(cnc2c1)C3CC3 271570a_100011220607_100000756483 [0,0,0,1,0,0|3,0,0]=4 2186 B15R3.31603 c1ccc2nc(ncc2c1)C3CC3 271570a_100011220607_100000097389 [0,0,0,1,0,0|3,0,0]=4 2187 B15R3.31603 c1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100000737414 [0,0,0,1,0,0|2,0,0]=3 2188 B15R3.31603 c1cnc2cc(ccc2c1)C3CC3 271570a_100011220607_100009816655 [0,0,0,1,0,0|2,0,0]=3 2189 B15R3.31603 c1cnc2cc(ccc2n1)C3CC3 271570a_100011220607_100011219451 [0,0,0,1,0,0|3,0,0]=4 2190 B15R3.31603 c1cnc2cc(cnc2c1)C3CC3 271570a_100011220607_100010246316 [0,0,0,1,0,0|3,0,0]=4 2191 B15R3.31603 c1cnc2ccc(cc2c1)C3CC3 271570a_100011220607_100000754243 [0,0,0,1,0,0|2,0,0]=3 2192 B15R3.31603 c1cnc2ccc(nc2c1)C3CC3 271570a_100011220607_100000073381 [0,0,0,1,0,0|3,0,0]=4 2193 B15R3.31603 c1cnc2nc(ccc2c1)C3CC3 271570a_100011220607_100009888989 [0,0,0,1,0,0|3,0,0]=4 2194 B15R3.31603 c1ncc2cc(ccc2n1)C3CC3 271570a_100011220607_100009989443 [0,0,0,1,0,0|3,0,0]=4 2195 B15R3.31603 c1ncc2ccc(cc2n1)C3CC3 271570a_100011220607_100010185614 [0,0,0,1,0,0|3,0,0]=4 2196 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [0,0,0,0,1,0|2,0,1]=4 2197 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [0,0,0,0,1,0|2,0,1]=4 2198 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,0,0,0,1,0|0,0,3]=4 2199 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,0,0,0,1,0|0,0,3]=4 2200 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [0,0,0,0,1,0|1,0,0]=2 2201 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [0,0,0,0,1,0|1,0,0]=2 2202 B13R2.1 CCSc1c[nH]c2c1cccn2 62a_100000210202_100011934613 [0,0,0,0,1,0|2,1,0]=4 2203 B13R2.1 CCSc1c[nH]c2c1ccnc2 62a_100000210202_100010232032 [0,0,0,0,1,0|2,1,0]=4 2204 B13R2.1 CCSc1c[nH]c2c1cncc2 62a_100000210202_100000753697 [0,0,0,0,1,0|2,1,0]=4 2205 B13R2.1 CCSc1c[nH]c2c1nccc2 62a_100000210202_100009817151 [0,0,0,0,1,0|2,1,0]=4 2206 B13R2.1 CCSc1cnc2n1cccc2 62a_100000210202_100011219245 [0,0,0,0,1,0|2,1,0]=4 2207 B13R2.1 CCSc1cnn2c1cccc2 62a_100000210202_100009817726 [0,0,0,0,1,0|2,1,0]=4 2208 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [0,0,0,0,1,0|1,1,0]=3 2209 B13R2.1 CCSc1coc2c1nccc2 62a_100000210202_100009889148 [0,0,0,0,1,0|2,1,0]=4 2210 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [0,0,0,0,1,0|1,1,0]=3 2211 B13R2.1 CCSc1csc2c1cccn2 62a_100000210202_100009830249 [0,0,0,0,1,0|2,1,0]=4 2212 B13R2.1 CCSc1csc2c1cccn2 62a_100009830249_100000210202 [0,0,0,0,1,0|2,1,0]=4 2213 B13R2.1 CCSc1csc2c1ccnc2 62a_100000210202_100009817111 [0,0,0,0,1,0|2,1,0]=4 2214 B13R2.1 CCSc1csc2c1ccnc2 62a_100009817111_100000210202 [0,0,0,0,1,0|2,1,0]=4 2215 B13R2.1 CCSc1csc2c1cncc2 62a_100000210202_100010247091 [0,0,0,0,1,0|2,1,0]=4 2216 B13R2.1 CCSc1csc2c1cncc2 62a_100010247091_100000210202 [0,0,0,0,1,0|2,1,0]=4 2217 B13R2.1 CCSc1csc2c1nccc2 62a_100000210202_100010247092 [0,0,0,0,1,0|2,1,0]=4 2218 B13R2.1 CCSc1n[nH]c2c1cccc2 62a_100000210202_100000050141 [0,0,0,0,1,0|2,1,0]=4 2219 B13R2.1 CCSc1ncn2c1cccc2 62a_100000210202_100010892795 [0,0,0,0,1,0|2,1,0]=4 2220 B13R2.1 CCSc1noc2c1cccc2 62a_100000210202_200000703156 [0,0,0,0,1,0|2,1,0]=4 2221 B13R2.1 CCSc1noc2c1cccc2 62a_200000703156_100000210202 [0,0,0,0,1,0|2,1,0]=4 2222 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [0,0,0,0,1,0|3,0,0]=4 2223 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [0,0,0,0,1,0|3,0,0]=4 2224 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [0,0,0,0,1,0|3,0,0]=4 2225 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [0,0,0,0,1,0|3,0,0]=4 2226 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [0,0,0,0,1,0|3,0,0]=4 2227 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [0,0,0,0,1,0|3,0,0]=4 2228 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [0,0,0,0,1,0|3,0,0]=4 2229 B13R2.1 COCc1csc2c1cccc2 34a_100011219454_200000210301 [0,0,0,0,1,0|3,0,0]=4 2230 B13R2.1 COCc1csc2c1cccc2 34a_100138415774_200000742921 [0,0,0,0,1,0|3,0,0]=4 2231 B13R2.1 CSCc1csc2c1cccc2 62a_200000210301_200000742921 [0,0,0,0,1,0|3,0,0]=4 2232 B13R2.1 CSCc1csc2c1cccc2 62a_200000742921_200000210301 [0,0,0,0,1,0|3,0,0]=4 2233 B13R2.1 FCOc1csc2c1cccc2 34a_100000077758_100015361967 [0,0,0,0,1,0|2,0,0]=3 2234 B13R2.1 FCOc1csc2c1cccc2 7a_100000077758_100015361967 [0,0,0,0,1,0|2,0,0]=3 2235 B13R2.1 FCSc1coc2c1cccc2 62a_100015361967_100009812202 [0,0,0,0,1,0|2,1,0]=4 2236 B13R2.1 FCSc1csc2c1cccc2 62a_100015361967_100009813928 [0,0,0,0,1,0|2,1,0]=4 2237 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [0,0,0,0,1,0|3,0,0]=4 2238 B13R2.1 [13CH3]OCc1csc2c1cccc2 34a_100011219454_200025704644 [0,0,0,0,1,0|3,0,0]=4 2239 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200000742921_200025704644 [0,0,0,0,1,0|3,0,0]=4 2240 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200025704644_200000742921 [0,0,0,0,1,0|3,0,0]=4 2241 B13R2.26 CC=Cc1cc2ccccc2[nH]1 271570a_100016259895_100010232065 [0,0,0,0,1,0|2,0,1]=4 2242 B13R2.26 CC=Cc1cc2ccccc2o1 271570a_100016259895_100010159458 [0,0,0,0,1,0|2,0,1]=4 2243 B13R2.26 CC=Cc1cc2ccccc2s1 271570a_100016259895_100009816949 [0,0,0,0,1,0|2,0,1]=4 2244 B13R2.26 CCNc1nc2ccccc2[nH]1 27a_100015525214_100009814255 [0,0,0,0,1,0|3,0,0]=4 2245 B13R2.26 CCNc1nc2ccccc2s1 27a_100015525214_100000751744 [0,0,0,0,1,0|3,0,0]=4 2246 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,0,0,0,1,0|0,0,3]=4 2247 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,0,0,0,1,0|0,0,3]=4 2248 B13R2.26 CCSc1cc2ccccc2[nH]1 62a_100000210202_100010232065 [0,0,0,0,1,0|1,1,0]=3 2249 B13R2.26 CCSc1cc2ccccc2o1 62a_100000210202_100010159458 [0,0,0,0,1,0|1,1,0]=3 2250 B13R2.26 CCSc1cc2ccccc2s1 62a_100000210202_100009816949 [0,0,0,0,1,0|1,1,0]=3 2251 B13R2.26 CCSc1cc2cccnc2[nH]1 62a_100000210202_100010079843 [0,0,0,0,1,0|2,1,0]=4 2252 B13R2.26 CCSc1cn2ccccc2n1 62a_100000210202_100009819586 [0,0,0,0,1,0|2,1,0]=4 2253 B13R2.26 CCSc1nc2ccccc2[nH]1 62a_100000210202_100009814255 [0,0,0,0,1,0|2,1,0]=4 2254 B13R2.26 CCSc1nc2ccccc2s1 62a_100000210202_100000751744 [0,0,0,0,1,0|2,1,0]=4 2255 B13R2.26 CNCc1cc2ccccc2[nH]1 270004a_106832991635_100000051030 [0,0,0,0,1,0|3,0,0]=4 2256 B13R2.26 CNCc1cc2ccccc2o1 207a_100102657272_100000229944 [0,0,0,0,1,0|3,0,0]=4 2257 B13R2.26 CNCc1cc2ccccc2o1 270004a_106832991635_100000229944 [0,0,0,0,1,0|3,0,0]=4 2258 B13R2.26 CNCc1cc2ccccc2s1 207a_100102657272_100000686906 [0,0,0,0,1,0|3,0,0]=4 2259 B13R2.26 CNCc1cc2ccccc2s1 2230a_100015187092_200000210301 [0,0,0,0,1,0|3,0,0]=4 2260 B13R2.26 CNCc1cc2ccccc2s1 270004a_106832991635_100000686906 [0,0,0,0,1,0|3,0,0]=4 2261 B13R2.26 COCc1cc2ccccc2o1 34a_100000233474_200000210301 [0,0,0,0,1,0|3,0,0]=4 2262 B13R2.26 COCc1cc2ccccc2o1 7a_100000233474_200000210301 [0,0,0,0,1,0|3,0,0]=4 2263 B13R2.26 FCSc1cc2ccccc2[nH]1 62a_100015361967_100010232065 [0,0,0,0,1,0|2,1,0]=4 2264 B13R2.26 FCSc1cc2ccccc2o1 62a_100015361967_100010159458 [0,0,0,0,1,0|2,1,0]=4 2265 B13R2.26 FCSc1cc2ccccc2s1 62a_100015361967_100009816949 [0,0,0,0,1,0|2,1,0]=4 2266 B13R2.26 [13CH3]NCc1cc2ccccc2s1 2230a_100015187092_200025704644 [0,0,0,0,1,0|3,0,0]=4 2267 B13R2.26 [13CH3]OCc1cc2ccccc2o1 34a_100000233474_200025704644 [0,0,0,0,1,0|3,0,0]=4 2268 B13R2.26 [13CH3]OCc1cc2ccccc2o1 7a_100000233474_200025704644 [0,0,0,0,1,0|3,0,0]=4 2269 B13R2.449 CC=Cc1ccc2[nH]ccc2c1 271570a_100016259895_100000211741 [0,0,0,0,1,0|2,0,1]=4 2270 B13R2.449 CC=Cc1ccc2c(c1)C=CC2 271570a_100016259895_100009814306 [0,0,0,0,1,0|1,0,2]=4 2271 B13R2.449 CC=Cc1ccc2c(c1)CC=C2 271570a_100016259895_200009818231 [0,0,0,0,1,0|1,0,2]=4 2272 B13R2.449 CC=Cc1ccc2cc[nH]c2c1 271570a_100016259895_100000743809 [0,0,0,0,1,0|2,0,1]=4 2273 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,0,0,0,1,0|2,0,1]=4 2274 B13R2.449 CC=Cc1ccc2ccsc2c1 271570a_100016259895_100009888917 [0,0,0,0,1,0|2,0,1]=4 2275 B13R2.449 CC=Cc1ccc2cscc2c1 271570a_100016259895_200010760811 [0,0,0,0,1,0|2,0,1]=4 2276 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,0,0,0,1,0|2,0,1]=4 2277 B13R2.449 CC=Cc1ccc2sccc2c1 271570a_100016259895_100009814439 [0,0,0,0,1,0|2,0,1]=4 2278 B13R2.449 CCNc1ccc2ccoc2c1 34a_100000102395_100000210202 [0,0,0,0,1,0|2,0,0]=3 2279 B13R2.449 CCNc1ccc2cnoc2c1 34a_100000084182_100000210202 [0,0,0,0,1,0|3,0,0]=4 2280 B13R2.449 CCNc1ccc2ncoc2c1 34a_100011248239_100000210202 [0,0,0,0,1,0|3,0,0]=4 2281 B13R2.449 CCNc1ccc2ncsc2c1 34a_100011215093_100000210202 [0,0,0,0,1,0|3,0,0]=4 2282 B13R2.449 CCNc1ccc2occc2c1 34a_106430523501_100000210202 [0,0,0,0,1,0|2,0,0]=3 2283 B13R2.449 CCNc1ccc2ocnc2c1 34a_100011219863_100000210202 [0,0,0,0,1,0|3,0,0]=4 2284 B13R2.449 CCNc1ccc2oncc2c1 34a_100000037595_100000210202 [0,0,0,0,1,0|3,0,0]=4 2285 B13R2.449 CCNc1ccc2sccc2c1 34a_100000681076_100000210202 [0,0,0,0,1,0|2,0,0]=3 2286 B13R2.449 CCNc1ccc2sccc2n1 27a_100015525214_100012000956 [0,0,0,0,1,0|3,0,0]=4 2287 B13R2.449 CCNc1ccc2scnc2c1 34a_100000047738_100000210202 [0,0,0,0,1,0|3,0,0]=4 2288 B13R2.449 CCNc1ccc2sncc2c1 34a_100000077742_100000210202 [0,0,0,0,1,0|3,0,0]=4 2289 B13R2.449 CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210202 [0,0,0,0,1,0|1,0,0]=2 2290 B13R2.449 CCOc1ccc2c(c1)CCC2 34a_100000209987_100000210202 [0,0,0,0,1,0|0,0,3]=4 2291 B13R2.449 CCOc1ccc2c(c1)CCC2 7a_100000209987_100000210202 [0,0,0,0,1,0|0,0,3]=4 2292 B13R2.449 CCOc1ccc2c(c1)CCN2 34a_100020636429_100000210202 [0,0,0,0,1,0|1,0,2]=4 2293 B13R2.449 CCOc1ccc2c(c1)CNC2 34a_100015195982_100000210202 [0,0,0,0,1,0|1,0,2]=4 2294 B13R2.449 CCOc1ccc2c(c1)NCC2 34a_100020636427_100000210202 [0,0,0,0,1,0|1,0,2]=4 2295 B13R2.449 CCOc1ccc2c(c1)OCO2 34a_100000210298_100000210202 [0,0,0,0,1,0|2,0,1]=4 2296 B13R2.449 CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210202 [0,0,0,0,1,0|1,0,0]=2 2297 B13R2.449 CCOc1ccc2ccoc2c1 34a_100000089557_100000210202 [0,0,0,0,1,0|1,0,0]=2 2298 B13R2.449 CCOc1ccc2ccoc2c1 7a_100000089557_100000210202 [0,0,0,0,1,0|1,0,0]=2 2299 B13R2.449 CCOc1ccc2cnoc2c1 34a_100000098417_100000210202 [0,0,0,0,1,0|2,0,0]=3 2300 B13R2.449 CCOc1ccc2cnoc2c1 7a_100000098417_100000210202 [0,0,0,0,1,0|2,0,0]=3 2301 B13R2.449 CCOc1ccc2ncsc2c1 34a_100011995850_100000210202 [0,0,0,0,1,0|2,0,0]=3 2302 B13R2.449 CCOc1ccc2ncsc2c1 7a_100011995850_100000210202 [0,0,0,0,1,0|2,0,0]=3 2303 B13R2.449 CCOc1ccc2nonc2c1 34a_100000036933_100000210202 [0,0,0,0,1,0|3,0,0]=4 2304 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [0,0,0,0,1,0|1,0,0]=2 2305 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [0,0,0,0,1,0|1,0,0]=2 2306 B13R2.449 CCOc1ccc2sccc2c1 34a_100012180905_100000210202 [0,0,0,0,1,0|1,0,0]=2 2307 B13R2.449 CCOc1ccc2sccc2c1 7a_100012180905_100000210202 [0,0,0,0,1,0|1,0,0]=2 2308 B13R2.449 CCOc1ccc2scnc2c1 34a_200009850626_100000210202 [0,0,0,0,1,0|2,0,0]=3 2309 B13R2.449 CCOc1ccc2scnc2c1 7a_200009850626_100000210202 [0,0,0,0,1,0|2,0,0]=3 2310 B13R2.449 CCOc1ccn2ccnc2c1 34a_100009863278_100000210202 [0,0,0,0,1,0|2,0,0]=3 2311 B13R2.449 CCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210202 [0,0,0,0,1,0|2,0,0]=3 2312 B13R2.449 CCSc1cc2[nH]ccc2cn1 62a_100000210202_100000089685 [0,0,0,0,1,0|2,1,0]=4 2313 B13R2.449 CCSc1cc2cc[nH]c2cn1 62a_100000210202_100009864809 [0,0,0,0,1,0|2,1,0]=4 2314 B13R2.449 CCSc1cc2sccc2cn1 62a_100000210202_200016184645 [0,0,0,0,1,0|2,1,0]=4 2315 B13R2.449 CCSc1ccc2[nH]ccc2c1 62a_100000210202_100000035808 [0,0,0,0,1,0|1,1,0]=3 2316 B13R2.449 CCSc1ccc2[nH]ccc2n1 62a_100000210202_100000087148 [0,0,0,0,1,0|2,1,0]=4 2317 B13R2.449 CCSc1ccc2[nH]cnc2c1 62a_100000210202_100011265325 [0,0,0,0,1,0|2,1,0]=4 2318 B13R2.449 CCSc1ccc2[nH]ncc2c1 62a_100000210202_100000049815 [0,0,0,0,1,0|2,1,0]=4 2319 B13R2.449 CCSc1ccc2c(c1)C=CC2 62a_100000210202_100009814306 [0,0,0,0,1,0|0,1,1]=3 2320 B13R2.449 CCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210202 [0,0,0,0,1,0|0,1,1]=3 2321 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_100000210202_200009818231 [0,0,0,0,1,0|0,1,1]=3 2322 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210202 [0,0,0,0,1,0|0,1,1]=3 2323 B13R2.449 CCSc1ccc2cc[nH]c2c1 62a_100000210202_100000743809 [0,0,0,0,1,0|1,1,0]=3 2324 B13R2.449 CCSc1ccc2cc[nH]c2n1 62a_100000210202_100009814870 [0,0,0,0,1,0|2,1,0]=4 2325 B13R2.449 CCSc1ccc2ccnn2c1 62a_100000210202_100009820231 [0,0,0,0,1,0|2,1,0]=4 2326 B13R2.449 CCSc1ccc2ccoc2c1 62a_100000210202_100000759542 [0,0,0,0,1,0|1,1,0]=3 2327 B13R2.449 CCSc1ccc2ccsc2c1 62a_100000210202_100009888917 [0,0,0,0,1,0|1,1,0]=3 2328 B13R2.449 CCSc1ccc2cn[nH]c2c1 62a_100000210202_100000049514 [0,0,0,0,1,0|2,1,0]=4 2329 B13R2.449 CCSc1ccc2cncn2c1 62a_100000210202_100009887162 [0,0,0,0,1,0|2,1,0]=4 2330 B13R2.449 CCSc1ccc2cnoc2c1 62a_100000210202_100009817722 [0,0,0,0,1,0|2,1,0]=4 2331 B13R2.449 CCSc1ccc2cscc2c1 62a_100000210202_200010760811 [0,0,0,0,1,0|1,1,0]=3 2332 B13R2.449 CCSc1ccc2csnc2c1 62a_100000210202_100010170880 [0,0,0,0,1,0|2,1,0]=4 2333 B13R2.449 CCSc1ccc2nccn2c1 62a_100000210202_100000746083 [0,0,0,0,1,0|2,1,0]=4 2334 B13R2.449 CCSc1ccc2nccn2c1 62a_100000746083_100000210202 [0,0,0,0,1,0|2,1,0]=4 2335 B13R2.449 CCSc1ccc2ncoc2c1 62a_100000210202_100009817590 [0,0,0,0,1,0|2,1,0]=4 2336 B13R2.449 CCSc1ccc2ncsc2c1 62a_100000210202_100009816678 [0,0,0,0,1,0|2,1,0]=4 2337 B13R2.449 CCSc1ccc2ncsc2c1 62a_100009816678_100000210202 [0,0,0,0,1,0|2,1,0]=4 2338 B13R2.449 CCSc1ccc2occc2c1 62a_100000210202_100000691453 [0,0,0,0,1,0|1,1,0]=3 2339 B13R2.449 CCSc1ccc2occc2n1 62a_100000210202_100009851292 [0,0,0,0,1,0|2,1,0]=4 2340 B13R2.449 CCSc1ccc2ocnc2c1 62a_100000210202_100009816175 [0,0,0,0,1,0|2,1,0]=4 2341 B13R2.449 CCSc1ccc2oncc2c1 62a_100000210202_100009817723 [0,0,0,0,1,0|2,1,0]=4 2342 B13R2.449 CCSc1ccc2sccc2c1 62a_100000210202_100009814439 [0,0,0,0,1,0|1,1,0]=3 2343 B13R2.449 CCSc1ccc2sccc2n1 62a_100000210202_100012000956 [0,0,0,0,1,0|2,1,0]=4 2344 B13R2.449 CCSc1ccc2scnc2c1 62a_100000210202_100010005895 [0,0,0,0,1,0|2,1,0]=4 2345 B13R2.449 CCSc1ccn2ccnc2c1 62a_100000210202_100000087792 [0,0,0,0,1,0|2,1,0]=4 2346 B13R2.449 CCSc1ccn2nccc2c1 62a_100000210202_100000763084 [0,0,0,0,1,0|2,1,0]=4 2347 B13R2.449 CCSc1cnc2[nH]ccc2c1 62a_100000210202_100000760471 [0,0,0,0,1,0|2,1,0]=4 2348 B13R2.449 CCSc1cnc2cc[nH]c2c1 62a_100000210202_100009818992 [0,0,0,0,1,0|2,1,0]=4 2349 B13R2.449 CCSc1cnc2sccc2c1 62a_100000210202_100010135160 [0,0,0,0,1,0|2,1,0]=4 2350 B13R2.449 CNCc1ccc2[nH]ccc2c1 207a_100102657272_100011197475 [0,0,0,0,1,0|3,0,0]=4 2351 B13R2.449 CNCc1ccc2[nH]ccc2c1 270004a_106832991635_100011197475 [0,0,0,0,1,0|3,0,0]=4 2352 B13R2.449 CNCc1ccc2cc[nH]c2c1 207a_100102657272_100011218920 [0,0,0,0,1,0|3,0,0]=4 2353 B13R2.449 CNCc1ccc2cc[nH]c2c1 270004a_106832991635_100011218920 [0,0,0,0,1,0|3,0,0]=4 2354 B13R2.449 CNCc1ccc2ccsc2c1 207a_100102657272_100000112508 [0,0,0,0,1,0|3,0,0]=4 2355 B13R2.449 CNCc1ccc2ccsc2c1 270004a_106832991635_100000112508 [0,0,0,0,1,0|3,0,0]=4 2356 B13R2.449 CNCc1ccc2occc2c1 207a_100102657272_100000040644 [0,0,0,0,1,0|3,0,0]=4 2357 B13R2.449 CNCc1ccc2occc2c1 2230a_100020591328_200000210301 [0,0,0,0,1,0|3,0,0]=4 2358 B13R2.449 CNCc1ccc2occc2c1 26a_100102657272_100000070125 [0,0,0,0,1,0|3,0,0]=4 2359 B13R2.449 CNCc1ccc2occc2c1 270004a_106832991635_100000040644 [0,0,0,0,1,0|3,0,0]=4 2360 B13R2.449 CNCc1ccc2occc2c1 34a_100020591328_200000210301 [0,0,0,0,1,0|3,0,0]=4 2361 B13R2.449 CNCc1ccc2sccc2c1 207a_100102657272_100000050658 [0,0,0,0,1,0|3,0,0]=4 2362 B13R2.449 CNCc1ccc2sccc2c1 2230a_100000732457_200000210301 [0,0,0,0,1,0|3,0,0]=4 2363 B13R2.449 CNCc1ccc2sccc2c1 270004a_106832991635_100000050658 [0,0,0,0,1,0|3,0,0]=4 2364 B13R2.449 CNCc1ccc2sccc2c1 34a_100000732457_200000210301 [0,0,0,0,1,0|3,0,0]=4 2365 B13R2.449 COCc1ccc2ccoc2c1 34a_200009859634_200000210301 [0,0,0,0,1,0|3,0,0]=4 2366 B13R2.449 COCc1ccc2ccoc2c1 7a_200009859634_200000210301 [0,0,0,0,1,0|3,0,0]=4 2367 B13R2.449 COCc1ccc2ccsc2c1 34a_100010262773_200000210301 [0,0,0,0,1,0|3,0,0]=4 2368 B13R2.449 COCc1ccc2ccsc2c1 7a_100010262773_200000210301 [0,0,0,0,1,0|3,0,0]=4 2369 B13R2.449 COCc1ccc2occc2c1 34a_100000067418_200000210301 [0,0,0,0,1,0|3,0,0]=4 2370 B13R2.449 COCc1ccc2occc2c1 7a_100000067418_200000210301 [0,0,0,0,1,0|3,0,0]=4 2371 B13R2.449 COCc1ccc2sccc2c1 34a_100000068000_200000210301 [0,0,0,0,1,0|3,0,0]=4 2372 B13R2.449 COCc1ccc2sccc2c1 7a_100000068000_200000210301 [0,0,0,0,1,0|3,0,0]=4 2373 B13R2.449 FCNc1ccc2ccoc2c1 34a_100000102395_100015361967 [0,0,0,0,1,0|3,0,0]=4 2374 B13R2.449 FCNc1ccc2occc2c1 34a_106430523501_100015361967 [0,0,0,0,1,0|3,0,0]=4 2375 B13R2.449 FCNc1ccc2sccc2c1 34a_100000681076_100015361967 [0,0,0,0,1,0|3,0,0]=4 2376 B13R2.449 FCOc1ccc2[nH]ccc2c1 34a_100000756620_100015361967 [0,0,0,0,1,0|2,0,0]=3 2377 B13R2.449 FCOc1ccc2cc[nH]c2c1 34a_100000036713_100015361967 [0,0,0,0,1,0|2,0,0]=3 2378 B13R2.449 FCOc1ccc2ccoc2c1 34a_100000089557_100015361967 [0,0,0,0,1,0|2,0,0]=3 2379 B13R2.449 FCOc1ccc2ccoc2c1 7a_100000089557_100015361967 [0,0,0,0,1,0|2,0,0]=3 2380 B13R2.449 FCOc1ccc2cnoc2c1 34a_100000098417_100015361967 [0,0,0,0,1,0|3,0,0]=4 2381 B13R2.449 FCOc1ccc2cnoc2c1 7a_100000098417_100015361967 [0,0,0,0,1,0|3,0,0]=4 2382 B13R2.449 FCOc1ccc2ncsc2c1 34a_100011995850_100015361967 [0,0,0,0,1,0|3,0,0]=4 2383 B13R2.449 FCOc1ccc2ncsc2c1 7a_100011995850_100015361967 [0,0,0,0,1,0|3,0,0]=4 2384 B13R2.449 FCOc1ccc2occc2c1 34a_100000070125_100015361967 [0,0,0,0,1,0|2,0,0]=3 2385 B13R2.449 FCOc1ccc2occc2c1 7a_100000070125_100015361967 [0,0,0,0,1,0|2,0,0]=3 2386 B13R2.449 FCOc1ccc2sccc2c1 34a_100012180905_100015361967 [0,0,0,0,1,0|2,0,0]=3 2387 B13R2.449 FCOc1ccc2sccc2c1 7a_100012180905_100015361967 [0,0,0,0,1,0|2,0,0]=3 2388 B13R2.449 FCOc1ccc2scnc2c1 34a_200009850626_100015361967 [0,0,0,0,1,0|3,0,0]=4 2389 B13R2.449 FCOc1ccc2scnc2c1 7a_200009850626_100015361967 [0,0,0,0,1,0|3,0,0]=4 2390 B13R2.449 FCOc1ccn2ccnc2c1 34a_100009863278_100015361967 [0,0,0,0,1,0|3,0,0]=4 2391 B13R2.449 FCOc1cnc2[nH]ccc2c1 34a_100000087691_100015361967 [0,0,0,0,1,0|3,0,0]=4 2392 B13R2.449 FCSc1ccc2[nH]ccc2c1 62a_100015361967_100000035808 [0,0,0,0,1,0|2,1,0]=4 2393 B13R2.449 FCSc1ccc2c(c1)C=CC2 62a_100009814306_100015361967 [0,0,0,0,1,0|1,1,1]=4 2394 B13R2.449 FCSc1ccc2c(c1)C=CC2 62a_100015361967_100009814306 [0,0,0,0,1,0|1,1,1]=4 2395 B13R2.449 FCSc1ccc2c(c1)CC=C2 62a_100015361967_200009818231 [0,0,0,0,1,0|1,1,1]=4 2396 B13R2.449 FCSc1ccc2c(c1)CC=C2 62a_200009818231_100015361967 [0,0,0,0,1,0|1,1,1]=4 2397 B13R2.449 FCSc1ccc2cc[nH]c2c1 62a_100015361967_100000743809 [0,0,0,0,1,0|2,1,0]=4 2398 B13R2.449 FCSc1ccc2ccoc2c1 62a_100015361967_100000759542 [0,0,0,0,1,0|2,1,0]=4 2399 B13R2.449 FCSc1ccc2ccsc2c1 62a_100015361967_100009888917 [0,0,0,0,1,0|2,1,0]=4 2400 B13R2.449 FCSc1ccc2cscc2c1 62a_100015361967_200010760811 [0,0,0,0,1,0|2,1,0]=4 2401 B13R2.449 FCSc1ccc2occc2c1 62a_100015361967_100000691453 [0,0,0,0,1,0|2,1,0]=4 2402 B13R2.449 FCSc1ccc2sccc2c1 62a_100015361967_100009814439 [0,0,0,0,1,0|2,1,0]=4 2403 B13R2.449 [13CH3]NCc1ccc2occc2c1 2230a_100020591328_200025704644 [0,0,0,0,1,0|3,0,0]=4 2404 B13R2.449 [13CH3]NCc1ccc2occc2c1 34a_100020591328_200025704644 [0,0,0,0,1,0|3,0,0]=4 2405 B13R2.449 [13CH3]NCc1ccc2sccc2c1 2230a_100000732457_200025704644 [0,0,0,0,1,0|3,0,0]=4 2406 B13R2.449 [13CH3]NCc1ccc2sccc2c1 34a_100000732457_200025704644 [0,0,0,0,1,0|3,0,0]=4 2407 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 34a_200009859634_200025704644 [0,0,0,0,1,0|3,0,0]=4 2408 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 7a_200009859634_200025704644 [0,0,0,0,1,0|3,0,0]=4 2409 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 34a_100010262773_200025704644 [0,0,0,0,1,0|3,0,0]=4 2410 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 7a_100010262773_200025704644 [0,0,0,0,1,0|3,0,0]=4 2411 B13R2.449 [13CH3]OCc1ccc2occc2c1 34a_100000067418_200025704644 [0,0,0,0,1,0|3,0,0]=4 2412 B13R2.449 [13CH3]OCc1ccc2occc2c1 7a_100000067418_200025704644 [0,0,0,0,1,0|3,0,0]=4 2413 B13R2.449 [13CH3]OCc1ccc2sccc2c1 34a_100000068000_200025704644 [0,0,0,0,1,0|3,0,0]=4 2414 B13R2.449 [13CH3]OCc1ccc2sccc2c1 7a_100000068000_200025704644 [0,0,0,0,1,0|3,0,0]=4 2415 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [1,0,1,0,0,0|1,0,1]=4 2416 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [1,0,1,0,0,0|1,0,1]=4 2417 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [1,0,1,0,0,0|1,0,1]=4 2418 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [1,0,1,0,0,0|1,0,1]=4 2419 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [1,0,1,0,0,0|1,0,1]=4 2420 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [1,0,1,0,0,0|0,0,1]=3 2421 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [1,0,1,0,0,0|0,0,1]=3 2422 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [1,0,1,0,0,0|1,0,1]=4 2423 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [1,0,1,0,0,0|0,1,1]=4 2424 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [1,0,1,0,0,0|0,1,1]=4 2425 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [1,0,1,0,0,0|1,0,1]=4 2426 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,0,1,0,0,0|1,0,0]=3 2427 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [1,0,1,0,0,0|2,0,0]=4 2428 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [1,0,1,0,0,0|2,0,0]=4 2429 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [1,0,1,0,0,0|2,0,0]=4 2430 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,0,1,0,0,0|2,0,0]=4 2431 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,0,1,0,0,0|2,0,0]=4 2432 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,0,1,0,0,0|2,0,0]=4 2433 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [1,0,1,0,0,0|1,0,1]=4 2434 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [1,0,1,0,0,0|1,0,1]=4 2435 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [1,0,1,0,0,0|1,0,1]=4 2436 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [1,0,1,0,0,0|1,0,1]=4 2437 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [1,0,1,0,0,0|1,0,1]=4 2438 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [1,0,1,0,0,0|1,0,1]=4 2439 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [1,0,1,0,0,0|1,0,1]=4 2440 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [1,0,1,0,0,0|1,0,1]=4 2441 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [1,0,1,0,0,0|1,0,1]=4 2442 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [1,0,1,0,0,0|1,1,0]=4 2443 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [1,0,1,0,0,0|1,1,0]=4 2444 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [1,0,1,0,0,0|1,1,0]=4 2445 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [1,0,1,0,0,0|1,1,0]=4 2446 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [1,0,1,0,0,0|0,1,1]=4 2447 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [1,0,1,0,0,0|0,1,1]=4 2448 B12R1.116 C=C=Cc1ccc(cc1)CCC 271570a_100015277604_100000750032 [1,0,1,0,0,0|1,0,1]=4 2449 B12R1.116 C=C=Cc1ccc(cc1)NCC 271570a_100015277604_100000219632 [1,0,1,0,0,0|1,0,1]=4 2450 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [1,0,1,0,0,0|0,0,1]=3 2451 B12R1.116 C=C=Cc1ccc(cc1)SCC 271570a_100015277604_200009811893 [1,0,1,0,0,0|0,1,1]=4 2452 B12R1.116 C=C=Cc1ccc(cn1)OCC 271570a_100015277604_100000753957 [1,0,1,0,0,0|1,0,1]=4 2453 B12R1.116 C=C=Cc1ccc(nc1)OCC 271570a_100015277604_100011219444 [1,0,1,0,0,0|1,0,1]=4 2454 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [1,0,1,0,0,0|0,0,1]=3 2455 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [1,0,1,0,0,0|0,0,1]=3 2456 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [1,0,1,0,0,0|1,0,1]=4 2457 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [1,0,1,0,0,0|1,0,1]=4 2458 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [1,0,1,0,0,0|1,1,0]=4 2459 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [1,0,1,0,0,0|1,1,0]=4 2460 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [1,0,1,0,0,0|1,0,1]=4 2461 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [1,0,1,0,0,0|1,0,1]=4 2462 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [1,0,1,0,0,0|0,0,1]=3 2463 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [1,0,1,0,0,0|0,1,1]=4 2464 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [1,0,1,0,0,0|1,0,1]=4 2465 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [1,0,1,0,0,0|1,0,1]=4 2466 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [1,0,1,0,0,0|1,1,0]=4 2467 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [1,0,1,0,0,0|1,1,0]=4 2468 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [1,0,1,0,0,0|0,0,1]=3 2469 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [1,0,1,0,0,0|0,0,1]=3 2470 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [1,0,1,0,0,0|0,0,1]=3 2471 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [1,0,1,0,0,0|1,0,1]=4 2472 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [1,0,1,0,0,0|1,0,1]=4 2473 B12R1.121 C=Cc1ccccc1CSCC 271570a_100011290941_200000173030 [1,0,1,0,0,0|0,1,1]=4 2474 B12R1.121 C=Cc1ccccc1NCCC 34a_100012022501_100000210303 [1,0,1,0,0,0|1,0,1]=4 2475 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [1,0,1,0,0,0|1,0,1]=4 2476 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [1,0,1,0,0,0|1,0,1]=4 2477 B12R1.121 C=Cc1ccccc1SCCC 62a_100000210303_100011218376 [1,0,1,0,0,0|1,0,1]=4 2478 B12R1.121 C=Cc1ccccc1SCCC 62a_100011218376_100000210303 [1,0,1,0,0,0|1,0,1]=4 2479 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [1,0,1,0,0,0|1,0,1]=4 2480 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [1,0,1,0,0,0|1,0,1]=4 2481 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [1,0,1,0,0,0|1,0,1]=4 2482 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [1,0,1,0,0,0|1,0,1]=4 2483 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [1,0,1,0,0,0|0,0,2]=4 2484 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [1,0,1,0,0,0|1,0,1]=4 2485 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [1,0,1,0,0,0|1,0,1]=4 2486 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [1,0,1,0,0,0|1,0,1]=4 2487 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,0,1,0,0,0|1,0,1]=4 2488 B12R1.267 CCOC=Cc1c[nH]ccc1=O 271570a_100016256518_100009998708 [1,0,1,0,0,0|2,0,0]=4 2489 B12R1.267 CCOC=Cc1c[nH]ccc1=S 271570a_100016256518_200012280681 [1,0,1,0,0,0|2,0,0]=4 2490 B12R1.267 CCOC=Cc1ccc[nH]c1=O 271570a_100016256518_100000050042 [1,0,1,0,0,0|2,0,0]=4 2491 B12R1.267 CCOC=Cc1cccc[n+]1C 271570a_100016256518_100000212160 [1,0,1,0,0,0|1,0,1]=4 2492 B12R1.267 CCOC=Cc1cccc[n+]1[O-] 271570a_100016256518_200000042595 [1,0,1,0,0,0|2,0,0]=4 2493 B12R1.267 CCOC=Cc1ccccc1Br 271570a_100016256518_100000695589 [1,0,1,0,0,0|1,0,0]=3 2494 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [1,0,1,0,0,0|0,0,1]=3 2495 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [1,0,1,0,0,0|1,0,0]=3 2496 B12R1.267 CCOC=Cc1ccccc1F 271570a_100016256518_100011215700 [1,0,1,0,0,0|1,0,0]=3 2497 B12R1.267 CCOC=Cc1ccccc1N 271570a_100016256518_100000210017 [1,0,1,0,0,0|1,0,0]=3 2498 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [1,0,1,0,0,0|1,0,0]=3 2499 B12R1.267 CCOC=Cc1cccnc1Br 271570a_100016256518_100010202626 [1,0,1,0,0,0|2,0,0]=4 2500 B12R1.267 CCOC=Cc1cccnc1C 271570a_100016256518_100000751574 [1,0,1,0,0,0|1,0,1]=4 2501 B12R1.267 CCOC=Cc1cccnc1Cl 271570a_100016256518_100000036424 [1,0,1,0,0,0|2,0,0]=4 2502 B12R1.267 CCOC=Cc1cccnc1F 271570a_100016256518_100009816115 [1,0,1,0,0,0|2,0,0]=4 2503 B12R1.267 CCOC=Cc1cccnc1N 271570a_100016256518_100000045569 [1,0,1,0,0,0|2,0,0]=4 2504 B12R1.267 CCOC=Cc1ccncc1Br 271570a_100016256518_100000726257 [1,0,1,0,0,0|2,0,0]=4 2505 B12R1.267 CCOC=Cc1ccncc1C 271570a_100016256518_100015191297 [1,0,1,0,0,0|1,0,1]=4 2506 B12R1.267 CCOC=Cc1ccncc1Cl 271570a_100016256518_100000708259 [1,0,1,0,0,0|2,0,0]=4 2507 B12R1.267 CCOC=Cc1ccncc1F 271570a_100016256518_100000047030 [1,0,1,0,0,0|2,0,0]=4 2508 B12R1.267 CCOC=Cc1ccncc1N 271570a_100016256518_100009815883 [1,0,1,0,0,0|2,0,0]=4 2509 B12R1.267 CCOC=Cc1ccncc1O 271570a_100016256518_100009817591 [1,0,1,0,0,0|2,0,0]=4 2510 B12R1.267 CCOC=Cc1cnccc1Br 271570a_100016256518_100010138639 [1,0,1,0,0,0|2,0,0]=4 2511 B12R1.267 CCOC=Cc1cnccc1C 271570a_100016256518_100000761580 [1,0,1,0,0,0|1,0,1]=4 2512 B12R1.267 CCOC=Cc1cnccc1Cl 271570a_100016256518_100009995489 [1,0,1,0,0,0|2,0,0]=4 2513 B12R1.267 CCOC=Cc1cnccc1F 271570a_100016256518_100009820683 [1,0,1,0,0,0|2,0,0]=4 2514 B12R1.267 CCOC=Cc1cnccc1N 271570a_100016256518_100000047001 [1,0,1,0,0,0|2,0,0]=4 2515 B12R1.267 CCOC=Cc1ncccc1Br 271570a_100016256518_100000696092 [1,0,1,0,0,0|2,0,0]=4 2516 B12R1.267 CCOC=Cc1ncccc1C 271570a_100016256518_100000751373 [1,0,1,0,0,0|1,0,1]=4 2517 B12R1.267 CCOC=Cc1ncccc1Cl 271570a_100016256518_100011356963 [1,0,1,0,0,0|2,0,0]=4 2518 B12R1.267 CCOC=Cc1ncccc1F 271570a_100016256518_100000685392 [1,0,1,0,0,0|2,0,0]=4 2519 B12R1.267 CCOC=Cc1ncccc1N 271570a_100016256518_100000688686 [1,0,1,0,0,0|2,0,0]=4 2520 B12R1.267 CCOC=Cc1ncccc1O 271570a_100016256518_100000034122 [1,0,1,0,0,0|2,0,0]=4 2521 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [1,0,1,0,0,0|1,0,1]=4 2522 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [1,0,1,0,0,0|0,0,2]=4 2523 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [1,0,1,0,0,0|1,0,1]=4 2524 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [1,0,1,0,0,0|1,0,1]=4 2525 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [1,0,1,0,0,0|1,0,1]=4 2526 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [1,0,1,0,0,0|1,0,1]=4 2527 B12R1.270 C=C=Cc1cc(ccc1Br)OC 271570a_100015277604_100009992028 [1,0,1,0,0,0|1,0,1]=4 2528 B12R1.270 C=C=Cc1cc(ccc1C)OC 271570a_100015277604_100012349166 [1,0,1,0,0,0|0,0,2]=4 2529 B12R1.270 C=C=Cc1cc(ccc1Cl)OC 271570a_100015277604_100011356938 [1,0,1,0,0,0|1,0,1]=4 2530 B12R1.270 C=C=Cc1cc(ccc1F)CC 271570a_100015277604_200010244628 [1,0,1,0,0,0|1,0,1]=4 2531 B12R1.270 C=C=Cc1cc(ccc1F)OC 271570a_100015277604_100000699733 [1,0,1,0,0,0|1,0,1]=4 2532 B12R1.270 C=C=Cc1cc(ccc1N)CC 271570a_100015277604_100012339725 [1,0,1,0,0,0|1,0,1]=4 2533 B12R1.270 C=C=Cc1cc(ccc1N)OC 271570a_100015277604_100015195136 [1,0,1,0,0,0|1,0,1]=4 2534 B12R1.270 C=C=Cc1cc(ccc1O)CC 271570a_100015277604_100012339963 [1,0,1,0,0,0|1,0,1]=4 2535 B12R1.270 C=C=Cc1cc(ccc1O)OC 271570a_100015277604_100000685887 [1,0,1,0,0,0|1,0,1]=4 2536 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [1,0,1,0,0,0|1,0,1]=4 2537 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [1,0,1,0,0,0|0,0,2]=4 2538 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [1,0,1,0,0,0|1,0,1]=4 2539 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [1,0,1,0,0,0|1,0,1]=4 2540 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [1,0,1,0,0,0|1,0,1]=4 2541 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [1,0,1,0,0,0|1,0,1]=4 2542 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [1,0,1,0,0,0|1,0,1]=4 2543 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [1,0,1,0,0,0|1,0,1]=4 2544 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [1,0,1,0,0,0|1,0,1]=4 2545 B12R1.278 C=C=Cc1cc(ccn1)OCC 271570a_100015277604_100011922638 [1,0,1,0,0,0|1,0,1]=4 2546 B12R1.278 C=C=Cc1cccc(c1)CCC 271570a_100015277604_100000694964 [1,0,1,0,0,0|1,0,1]=4 2547 B12R1.278 C=C=Cc1cccc(c1)NCC 271570a_100015277604_100000738899 [1,0,1,0,0,0|1,0,1]=4 2548 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [1,0,1,0,0,0|0,0,1]=3 2549 B12R1.278 C=C=Cc1cccc(c1)SCC 271570a_100015277604_100000703699 [1,0,1,0,0,0|0,1,1]=4 2550 B12R1.278 C=C=Cc1cccc(n1)OCC 271570a_100015277604_100000752924 [1,0,1,0,0,0|1,0,1]=4 2551 B12R1.278 C=C=Cc1ccnc(c1)OCC 271570a_100015277604_100009995528 [1,0,1,0,0,0|1,0,1]=4 2552 B12R1.278 C=C=Cc1cncc(c1)OCC 271570a_100015277604_100012029586 [1,0,1,0,0,0|1,0,1]=4 2553 B12R1.278 C=CCc1cccc(c1)SCC 62a_100000210202_100009816576 [1,0,1,0,0,0|0,1,1]=4 2554 B12R1.278 C=CCc1cccc(c1)SCC 62a_100009816576_100000210202 [1,0,1,0,0,0|0,1,1]=4 2555 B12R1.278 CC=Cc1cc(ccn1)OCC 271570a_100016259895_100011922638 [1,0,1,0,0,0|1,0,1]=4 2556 B12R1.278 CC=Cc1cccc(c1)CCC 271570a_100016259895_100000694964 [1,0,1,0,0,0|1,0,1]=4 2557 B12R1.278 CC=Cc1cccc(c1)NCC 271570a_100016259895_100000738899 [1,0,1,0,0,0|1,0,1]=4 2558 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [1,0,1,0,0,0|0,0,1]=3 2559 B12R1.278 CC=Cc1cccc(c1)SCC 271570a_100016259895_100000703699 [1,0,1,0,0,0|0,1,1]=4 2560 B12R1.278 CC=Cc1cccc(n1)OCC 271570a_100016259895_100000752924 [1,0,1,0,0,0|1,0,1]=4 2561 B12R1.278 CC=Cc1ccnc(c1)OCC 271570a_100016259895_100009995528 [1,0,1,0,0,0|1,0,1]=4 2562 B12R1.278 CC=Cc1cncc(c1)OCC 271570a_100016259895_100012029586 [1,0,1,0,0,0|1,0,1]=4 2563 B12R1.286 C=Cc1cc(ccc1C)OCC 271570a_100011290941_100011099959 [1,0,1,0,0,0|0,0,1]=3 2564 B12R1.286 C=Cc1cc(ccc1F)SCC 62a_100000210202_100000688377 [1,0,1,0,0,0|1,1,0]=4 2565 B12R1.286 C=Cc1cc(ccc1F)SCC 62a_100000688377_100000210202 [1,0,1,0,0,0|1,1,0]=4 2566 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [1,0,1,0,0,0|2,0,0]=4 2567 B12R1.78 C=Cc1cc(ccc1C#N)CC 271570a_100011290941_100010295696 [1,0,1,0,0,0|1,0,1]=4 2568 B12R1.78 C=Cc1cc(ccc1C#N)OC 271570a_100011290941_100012355471 [1,0,1,0,0,0|1,0,1]=4 2569 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [1,0,1,0,0,0|1,0,0]=3 2570 B12R1.78 C=Cc1cc(ccc1CO)OC 271570a_100011290941_100011982768 [1,0,1,0,0,0|1,0,1]=4 2571 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [1,0,1,0,0,0|1,0,1]=4 2572 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [1,0,1,0,0,0|1,0,1]=4 2573 B12R1.78 C=Cc1cc(cnc1C=O)OC 271570a_100011290941_200010135874 [1,0,1,0,0,0|2,0,0]=4 2574 B12R1.78 C=Cc1ccc(cc1C#N)OC 271570a_100011290941_100000748272 [1,0,1,0,0,0|1,0,1]=4 2575 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [1,0,1,0,0,0|1,0,0]=3 2576 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [1,0,1,0,0,0|0,0,2]=4 2577 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [1,0,1,0,0,0|1,0,1]=4 2578 B12R1.78 C=Cc1ccc(cc1CO)OC 271570a_100011290941_200011273942 [1,0,1,0,0,0|1,0,1]=4 2579 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [1,0,1,0,0,0|1,0,1]=4 2580 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [1,0,1,0,0,0|1,0,1]=4 2581 B12R1.78 C=Cc1ccc(nc1C=O)OC 271570a_100011290941_200010173843 [1,0,1,0,0,0|2,0,0]=4 2582 B12R1.78 C=Cc1cnc(cc1C=O)OC 271570a_100011290941_100010171658 [1,0,1,0,0,0|2,0,0]=4 2583 B12R1.78 C=Cc1nc(ccc1C=O)OC 271570a_100011290941_100012351648 [1,0,1,0,0,0|2,0,0]=4 2584 B12R1.288 C=Cc1ccc(cc1C)NCC 271570a_100011290941_100015183089 [1,0,1,0,0,0|1,0,1]=4 2585 B12R1.288 C=Cc1ccc(cc1C)OCC 271570a_100011290941_100012344538 [1,0,1,0,0,0|0,0,1]=3 2586 B12R1.288 C=Cc1ccc(cc1F)CCC 271570a_100011290941_200010686677 [1,0,1,0,0,0|2,0,0]=4 2587 B12R1.288 C=Cc1ccc(cc1F)OCC 271570a_100011290941_100000692347 [1,0,1,0,0,0|1,0,0]=3 2588 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100000210202_100011935271 [1,0,1,0,0,0|1,1,0]=4 2589 B12R1.288 C=Cc1ccc(cc1F)SCC 62a_100011935271_100000210202 [1,0,1,0,0,0|1,1,0]=4 2590 B12R1.288 C=Cc1cnc(cc1C)OCC 271570a_100011290941_200012351029 [1,0,1,0,0,0|1,0,1]=4 2591 B12R1.288 CCOc1ccc(c(c1)O)C=O 271570a_203496583355_200012721597 [1,0,1,0,0,0|2,0,0]=4 2592 B12R1.114 C=C=Cc1ccc(cc1Br)CC 271570a_100015277604_200009997437 [1,0,1,0,0,0|1,0,1]=4 2593 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [1,0,1,0,0,0|1,0,1]=4 2594 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [1,0,1,0,0,0|0,0,2]=4 2595 B12R1.114 C=C=Cc1ccc(cc1F)CC 271570a_100015277604_200010339503 [1,0,1,0,0,0|1,0,1]=4 2596 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [1,0,1,0,0,0|1,0,1]=4 2597 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [1,0,1,0,0,0|1,0,1]=4 2598 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [1,0,1,0,0,0|1,0,1]=4 2599 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [1,0,1,0,0,0|1,0,1]=4 2600 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [1,0,1,0,0,0|1,0,1]=4 2601 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [1,0,1,0,0,0|0,0,2]=4 2602 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [1,0,1,0,0,0|1,0,1]=4 2603 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [1,0,1,0,0,0|1,0,1]=4 2604 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [1,0,1,0,0,0|1,0,1]=4 2605 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [1,0,1,0,0,0|1,0,1]=4 2606 B12R1.382 C=CCNc1cccc(c1)CC 2230a_100000211250_100000210623 [1,0,1,0,0,0|1,0,1]=4 2607 B12R1.382 C=CCNc1cccc(c1)CC 34a_100000211250_100015514636 [1,0,1,0,0,0|1,0,1]=4 2608 B12R1.382 C=CCNc1cccc(c1)CC 7a_100000211250_100015514636 [1,0,1,0,0,0|1,0,1]=4 2609 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [1,0,1,0,0,0|1,0,1]=4 2610 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [1,0,1,0,0,0|1,0,1]=4 2611 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [1,0,1,0,0,0|1,0,1]=4 2612 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [1,0,1,0,0,0|1,0,1]=4 2613 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [1,0,1,0,0,0|1,0,1]=4 2614 B12R1.382 C=CCSc1cccc(c1)CC 62a_100000210623_100011263222 [1,0,1,0,0,0|1,0,1]=4 2615 B12R1.382 C=CCSc1cccc(c1)CC 62a_100011263222_100000210623 [1,0,1,0,0,0|1,0,1]=4 2616 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [1,0,1,0,0,0|1,0,1]=4 2617 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [2,0,0,0,0,0|1,0,0]=3 2618 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [2,0,0,0,0,0|0,0,0]=2 2619 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [2,0,0,0,0,0|1,0,0]=3 2620 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [2,0,0,0,0,0|1,0,0]=3 2621 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [2,0,0,0,0,0|2,0,0]=4 2622 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [2,0,0,0,0,0|1,0,0]=3 2623 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [2,0,0,0,0,0|2,0,0]=4 2624 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [2,0,0,0,0,0|1,0,0]=3 2625 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [2,0,0,0,0,0|2,0,0]=4 2626 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [2,0,0,0,0,0|2,0,0]=4 2627 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [2,0,0,0,0,0|1,0,0]=3 2628 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [2,0,0,0,0,0|2,0,0]=4 2629 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [2,0,0,0,0,0|2,0,0]=4 2630 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [2,0,0,0,0,0|2,0,0]=4 2631 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [2,0,0,0,0,0|2,0,0]=4 2632 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [2,0,0,0,0,0|1,0,0]=3 2633 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [2,0,0,0,0,0|2,0,0]=4 2634 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [2,0,0,0,0,0|2,0,0]=4 2635 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [2,0,0,0,0,0|2,0,0]=4 2636 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [0,1,1,0,0,0|2,0,0]=4 2637 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [0,1,1,0,0,0|2,0,0]=4 2638 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [0,1,1,0,0,0|2,0,0]=4 2639 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [0,1,1,0,0,0|2,0,0]=4 2640 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [0,1,1,0,0,0|1,0,0]=3 2641 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccn1 271570a_100050291487_100011216584 [0,1,1,0,0,0|2,0,0]=4 2642 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnc1 271570a_100050291487_100000752921 [0,1,1,0,0,0|2,0,0]=4 2643 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncc1 271570a_100050291487_100000035832 [0,1,1,0,0,0|2,0,0]=4 2644 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,1,1,0,0,0|1,0,1]=4 2645 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210303 [0,1,1,0,0,0|2,0,0]=4 2646 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215381 [0,1,1,0,0,0|2,0,0]=4 2647 B14R1.32 CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210303 [0,1,1,0,0,0|2,0,0]=4 2648 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210303 [0,1,1,0,0,0|2,0,0]=4 2649 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210303 [0,1,1,0,0,0|2,0,0]=4 2650 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215381 [0,1,1,0,0,0|2,0,0]=4 2651 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210303 [0,1,1,0,0,0|2,0,0]=4 2652 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215381 [0,1,1,0,0,0|2,0,0]=4 2653 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [0,1,1,0,0,0|2,0,0]=4 2654 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 11a_100015525214_100016258244 [0,1,1,0,0,0|2,0,0]=4 2655 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 240690a_100015525214_100016258244 [0,1,1,0,0,0|2,0,0]=4 2656 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 11a_100015525214_100000690095 [0,1,1,0,0,0|2,0,0]=4 2657 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 240690a_100015525214_100000690095 [0,1,1,0,0,0|2,0,0]=4 2658 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 11a_100015525214_100000184502 [0,1,1,0,0,0|2,0,0]=4 2659 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015525214_100000184502 [0,1,1,0,0,0|2,0,0]=4 2660 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 11a_100015525214_100000718793 [0,1,1,0,0,0|2,0,0]=4 2661 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 240690a_100015525214_100000718793 [0,1,1,0,0,0|2,0,0]=4 2662 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 11a_100015525214_100020647043 [0,1,1,0,0,0|2,0,0]=4 2663 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 240690a_100015525214_100020647043 [0,1,1,0,0,0|2,0,0]=4 2664 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [0,1,1,0,0,0|1,0,0]=3 2665 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)C 271570a_100010199719_100000750283 [0,1,1,0,0,0|2,0,0]=4 2666 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)Cl 271570a_100010199719_100010167805 [0,1,1,0,0,0|2,0,0]=4 2667 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)F 271570a_100010199719_100009817058 [0,1,1,0,0,0|2,0,0]=4 2668 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)N 271570a_100010199719_100009814236 [0,1,1,0,0,0|2,0,0]=4 2669 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [0,1,1,0,0,0|2,0,0]=4 2670 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [0,1,1,0,0,0|2,0,0]=4 2671 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)C 271570a_100010199719_100009996589 [0,1,1,0,0,0|2,0,0]=4 2672 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)[O-] 271570a_100010199719_100009815978 [0,1,1,0,0,0|2,0,0]=4 2673 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [0,1,1,0,0,0|2,0,0]=4 2674 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [0,1,1,0,0,0|1,0,0]=3 2675 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [0,1,1,0,0,0|1,0,0]=3 2676 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [0,1,1,0,0,0|1,0,0]=3 2677 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [0,1,1,0,0,0|1,0,0]=3 2678 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [0,1,1,0,0,0|1,0,0]=3 2679 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [0,1,1,0,0,0|1,0,0]=3 2680 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [0,1,1,0,0,0|1,0,0]=3 2681 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [0,1,1,0,0,0|2,0,0]=4 2682 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [0,1,1,0,0,0|2,0,0]=4 2683 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [0,1,1,0,0,0|2,0,0]=4 2684 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [0,1,1,0,0,0|2,0,0]=4 2685 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Br 271570a_100010199719_100009814637 [0,1,1,0,0,0|2,0,0]=4 2686 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)C 271570a_100010199719_100000758586 [0,1,1,0,0,0|2,0,0]=4 2687 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl 271570a_100010199719_100000035001 [0,1,1,0,0,0|2,0,0]=4 2688 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)F 271570a_100010199719_100009816116 [0,1,1,0,0,0|2,0,0]=4 2689 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)N 271570a_100010199719_100000744379 [0,1,1,0,0,0|2,0,0]=4 2690 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Br 271570a_100010199719_100000728054 [0,1,1,0,0,0|2,0,0]=4 2691 B14R1.32 CCOC(=O)C=Cc1cncc(c1)C 271570a_100010199719_100000760492 [0,1,1,0,0,0|2,0,0]=4 2692 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Cl 271570a_100010199719_100000049639 [0,1,1,0,0,0|2,0,0]=4 2693 B14R1.32 CCOC(=O)C=Cc1cncc(c1)F 271570a_100010199719_100000744099 [0,1,1,0,0,0|2,0,0]=4 2694 B14R1.32 CCOC(=O)C=Cc1cncc(c1)N 271570a_100010199719_100000687067 [0,1,1,0,0,0|2,0,0]=4 2695 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [0,1,1,0,0,0|2,0,0]=4 2696 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [0,1,1,0,0,0|2,0,0]=4 2697 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [0,1,1,0,0,0|2,0,0]=4 2698 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [0,1,1,0,0,0|2,0,0]=4 2699 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 11a_100015525214_100016990649 [0,1,1,0,0,0|2,0,0]=4 2700 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 527a_100015525214_100016990649 [0,1,1,0,0,0|2,0,0]=4 2701 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015525214_200020598536 [0,1,1,0,0,0|2,0,0]=4 2702 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015525214_200020598536 [0,1,1,0,0,0|2,0,0]=4 2703 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015525214_200020598536 [0,1,1,0,0,0|2,0,0]=4 2704 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 11a_100015525214_100020889036 [0,1,1,0,0,0|2,0,0]=4 2705 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 527a_100015525214_100020889036 [0,1,1,0,0,0|2,0,0]=4 2706 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [0,1,1,0,0,0|2,0,0]=4 2707 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [0,1,1,0,0,0|2,0,0]=4 2708 B14R1.156 C=C(CNc1ccccc1)OCOC 34a_100000106764_100000042856 [0,1,1,0,0,0|1,0,1]=4 2709 B14R1.156 C=C(COc1ccccc1)OCOC 34a_100000210340_100000042856 [0,1,1,0,0,0|1,0,1]=4 2710 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000042856_100000041952 [0,1,1,0,0,0|1,0,1]=4 2711 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000719477_100000042856 [0,1,1,0,0,0|1,0,1]=4 2712 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [0,1,1,0,0,0|2,0,0]=4 2713 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [0,1,1,0,0,0|2,0,0]=4 2714 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [0,1,1,0,0,0|2,0,0]=4 2715 B14R1.156 CCNN=C(C)C=Cc1ccccc1 4a_100000756455_100000204604 [0,1,1,0,0,0|1,0,1]=4 2716 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [0,1,1,0,0,0|2,0,0]=4 2717 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [0,1,1,0,0,0|2,0,0]=4 2718 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [0,1,1,0,0,0|2,0,0]=4 2719 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [0,1,1,0,0,0|2,0,0]=4 2720 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,1,1,0,0,0|2,0,0]=4 2721 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [0,1,1,0,0,0|2,0,0]=4 2722 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [0,1,1,0,0,0|2,0,0]=4 2723 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [0,1,1,0,0,0|2,0,0]=4 2724 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [0,1,1,0,0,0|2,0,0]=4 2725 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [0,1,1,0,0,0|2,0,0]=4 2726 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [0,1,1,0,0,0|2,0,0]=4 2727 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [0,1,1,0,0,0|2,0,0]=4 2728 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [0,1,1,0,0,0|2,0,0]=4 2729 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [0,1,1,0,0,0|2,0,0]=4 2730 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [0,1,1,0,0,0|2,0,0]=4 2731 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [0,1,1,0,0,0|2,0,0]=4 2732 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [0,1,1,0,0,0|2,0,0]=4 2733 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [0,1,1,0,0,0|2,0,0]=4 2734 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [0,1,1,0,0,0|2,0,0]=4 2735 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [0,1,1,0,0,0|2,0,0]=4 2736 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [0,1,1,0,0,0|2,0,0]=4 2737 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [0,1,1,0,0,0|2,0,0]=4 2738 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [0,1,1,0,0,0|2,0,0]=4 2739 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [0,1,1,0,0,0|2,0,0]=4 2740 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [0,1,1,0,0,0|2,0,0]=4 2741 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [0,1,1,0,0,0|1,0,0]=3 2742 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [0,1,1,0,0,0|2,0,0]=4 2743 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [0,1,1,0,0,0|2,0,0]=4 2744 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [0,1,1,0,0,0|1,0,0]=3 2745 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [0,1,1,0,0,0|1,0,0]=3 2746 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [0,1,1,0,0,0|1,0,0]=3 2747 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [0,1,1,0,0,0|1,0,0]=3 2748 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [0,1,1,0,0,0|1,0,0]=3 2749 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [0,1,1,0,0,0|1,0,0]=3 2750 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [0,1,1,0,0,0|2,0,0]=4 2751 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [0,1,1,0,0,0|2,0,0]=4 2752 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [0,1,1,0,0,0|2,0,0]=4 2753 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [0,1,1,0,0,0|2,0,0]=4 2754 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [0,1,1,0,0,0|2,0,0]=4 2755 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [0,1,1,0,0,0|2,0,0]=4 2756 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [0,1,1,0,0,0|2,0,0]=4 2757 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [0,1,1,0,0,0|2,0,0]=4 2758 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [0,1,1,0,0,0|2,0,0]=4 2759 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [0,1,1,0,0,0|2,0,0]=4 2760 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [0,1,1,0,0,0|2,0,0]=4 2761 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [0,1,1,0,0,0|2,0,0]=4 2762 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [0,1,1,0,0,0|2,0,0]=4 2763 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [0,1,1,0,0,0|2,0,0]=4 2764 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [0,1,1,0,0,0|2,0,0]=4 2765 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [0,1,1,0,0,0|2,0,0]=4 2766 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [0,1,1,0,0,0|2,0,0]=4 2767 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [0,1,1,0,0,0|2,0,0]=4 2768 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [0,1,1,0,0,0|2,0,0]=4 2769 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [0,1,1,0,0,0|2,0,0]=4 2770 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [0,1,1,0,0,0|2,0,0]=4 2771 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [0,1,1,0,0,0|1,0,0]=3 2772 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [0,1,1,0,0,0|2,0,0]=4 2773 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [0,1,1,0,0,0|2,0,0]=4 2774 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [0,1,1,0,0,0|2,0,0]=4 2775 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [0,1,1,0,0,0|2,0,0]=4 2776 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [0,1,1,0,0,0|2,0,0]=4 2777 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [0,1,1,0,0,0|2,0,0]=4 2778 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [0,1,1,0,0,0|1,0,0]=3 2779 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [0,1,1,0,0,0|1,0,0]=3 2780 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [0,1,1,0,0,0|1,0,0]=3 2781 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [0,1,1,0,0,0|1,0,0]=3 2782 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [0,1,1,0,0,0|1,0,0]=3 2783 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [0,1,1,0,0,0|1,0,0]=3 2784 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [0,1,1,0,0,0|2,0,0]=4 2785 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [0,1,1,0,0,0|2,0,0]=4 2786 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [0,1,1,0,0,0|2,0,0]=4 2787 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [0,1,1,0,0,0|2,0,0]=4 2788 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [0,1,1,0,0,0|2,0,0]=4 2789 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [0,1,1,0,0,0|2,0,0]=4 2790 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [0,1,1,0,0,0|2,0,0]=4 2791 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [0,1,1,0,0,0|2,0,0]=4 2792 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [0,1,1,0,0,0|2,0,0]=4 2793 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [0,1,1,0,0,0|2,0,0]=4 2794 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [0,1,1,0,0,0|2,0,0]=4 2795 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [0,1,1,0,0,0|2,0,0]=4 2796 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [0,1,1,0,0,0|2,0,0]=4 2797 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [0,1,1,0,0,0|2,0,0]=4 2798 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [0,1,1,0,0,0|2,0,0]=4 2799 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [0,1,1,0,0,0|2,0,0]=4 2800 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [0,1,1,0,0,0|2,0,0]=4 2801 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [0,1,1,0,0,0|2,0,0]=4 2802 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [0,1,1,0,0,0|2,0,0]=4 2803 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [0,1,1,0,0,0|2,0,0]=4 2804 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [0,1,1,0,0,0|2,0,0]=4 2805 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [0,1,1,0,0,0|2,0,0]=4 2806 B14R1.756 CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000758301 [0,1,1,0,0,0|2,0,0]=4 2807 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 11a_100000225621_100000210462 [0,1,1,0,0,0|2,0,0]=4 2808 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225621_100000210462 [0,1,1,0,0,0|2,0,0]=4 2809 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [0,1,1,0,0,0|2,0,0]=4 2810 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [0,1,1,0,0,0|2,0,0]=4 2811 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [0,1,1,0,0,0|2,0,0]=4 2812 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [0,1,1,0,0,0|2,0,0]=4 2813 B14R1.24 C=CC(=O)Cc1ccc(cc1)CCC 1458a_100000185746_100011982809 [0,1,1,0,0,0|1,0,1]=4 2814 B14R1.24 C=CC(=O)Nc1ccc(cc1)CCC 1626a_100000211780_100000185746 [0,1,1,0,0,0|2,0,0]=4 2815 B14R1.24 C=CC(=O)Nc1ccc(cc1)CCC 22a_100000211780_100000185746 [0,1,1,0,0,0|2,0,0]=4 2816 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 1626a_100000739623_100000185746 [0,1,1,0,0,0|1,0,0]=3 2817 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 22a_100000739623_100000185746 [0,1,1,0,0,0|1,0,0]=3 2818 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 34a_100011235904_100000210202 [0,1,1,0,0,0|1,0,0]=3 2819 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCF 34a_100011235904_100015361967 [0,1,1,0,0,0|2,0,0]=4 2820 B14R1.24 C=CC(=O)Nc1ccc(cc1)SCC 1626a_100015187087_100000185746 [0,1,1,0,0,0|1,1,0]=4 2821 B14R1.24 C=CC(=O)Nc1ccc(cc1)SCC 22a_100015187087_100000185746 [0,1,1,0,0,0|1,1,0]=4 2822 B14R1.24 C=CC(C)Sc1ccc(cc1)OCC 62a_100011215867_100000171712 [0,1,1,0,0,0|1,0,1]=4 2823 B14R1.25 C=CCC(=O)c1ccc(cc1)CCC 1458a_100011207308_100000210623 [0,1,1,0,0,0|1,0,1]=4 2824 B14R1.25 C=CCC(=O)c1ccc(cc1)OCC 1458a_100000181891_100000210623 [0,1,1,0,0,0|0,0,1]=3 2825 B14R1.25 C=CCC(=O)c1ccc(cc1)SCC 1458a_100000244969_100000210623 [0,1,1,0,0,0|0,1,1]=4 2826 B14R1.25 C=CCN(C)c1ccc(cc1)OCC 2230a_100025784348_100000210623 [0,1,1,0,0,0|1,0,1]=4 2827 B14R1.25 C=CCN(C)c1ccc(cc1)OCC 269982a_100025784348_100000210623 [0,1,1,0,0,0|1,0,1]=4 2828 B14R1.25 C=CCN(C)c1ccc(cc1)OCC 34a_100025784348_100015514636 [0,1,1,0,0,0|1,0,1]=4 2829 B14R1.25 CCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_100000210202_200020603514 [0,1,1,0,0,0|1,1,0]=4 2830 B14R1.25 CCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_100000210202 [0,1,1,0,0,0|1,1,0]=4 2831 B14R1.68 C=CCNc1ccc(cc1)OC(C)C 2230a_100011194259_100000210623 [0,1,1,0,0,0|1,0,1]=4 2832 B14R1.68 C=CCNc1ccc(cc1)OC(C)C 34a_100011194259_100015514636 [0,1,1,0,0,0|1,0,1]=4 2833 B14R1.68 C=CCOc1ccc(cc1)OC(C)C 34a_100000757185_100015514636 [0,1,1,0,0,0|1,0,1]=4 2834 B14R1.68 C=CCOc1ccc(cc1)OC(C)C 7a_100000757185_100015514636 [0,1,1,0,0,0|1,0,1]=4 2835 B14R1.68 C=CCSc1ccc(cc1)OC(C)C 62a_100000169947_100000210623 [0,1,1,0,0,0|1,0,1]=4 2836 B14R1.68 C=CCSc1ccc(cc1)OC(C)C 62a_100000210623_100000169947 [0,1,1,0,0,0|1,0,1]=4 2837 B14R1.68 CC(C)Sc1ccc(cc1)/C=C/C=O 62a_100000210206_100016291818 [0,1,1,0,0,0|1,1,0]=4 2838 B14R1.68 CC(C)Sc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210206 [0,1,1,0,0,0|1,1,0]=4 2839 B14R1.70 C=CCNc1ccc(cc1)OCCC 34a_100000748631_100015514636 [0,1,1,0,0,0|1,0,1]=4 2840 B14R1.70 C=CCNc1ccc(cc1)OCCF 34a_100012282086_100015514636 [0,1,1,0,0,0|1,0,1]=4 2841 B14R1.70 C=CCNc1ccc(cc1)OCCO 2230a_100000754363_100000210623 [0,1,1,0,0,0|1,0,1]=4 2842 B14R1.70 C=CCNc1ccc(cc1)OCCO 34a_100000754363_100015514636 [0,1,1,0,0,0|1,0,1]=4 2843 B14R1.70 C=CCOc1ccc(cc1)OCCC 34a_100000185468_100015514636 [0,1,1,0,0,0|1,0,1]=4 2844 B14R1.70 C=CCOc1ccc(cc1)OCCC 7a_100000185468_100015514636 [0,1,1,0,0,0|1,0,1]=4 2845 B14R1.70 C=CCOc1ccc(cc1)OCOC 34a_200012265912_100015514636 [0,1,1,0,0,0|1,0,1]=4 2846 B14R1.70 C=CCSc1ccc(cc1)COCC 62a_100000210623_100000758564 [0,1,1,0,0,0|1,0,1]=4 2847 B14R1.70 C=CCSc1ccc(cc1)COCC 62a_100000758564_100000210623 [0,1,1,0,0,0|1,0,1]=4 2848 B14R1.70 C=CCSc1ccc(cc1)OCCC 62a_100000169948_100000210623 [0,1,1,0,0,0|1,0,1]=4 2849 B14R1.70 C=CCSc1ccc(cc1)OCCC 62a_100000210623_100000169948 [0,1,1,0,0,0|1,0,1]=4 2850 B14R1.70 C=CCSc1ccc(cc1)OCCF 62a_100000210623_100012347556 [0,1,1,0,0,0|1,0,1]=4 2851 B14R1.70 C=CCSc1ccc(cc1)OCCF 62a_100012347556_100000210623 [0,1,1,0,0,0|1,0,1]=4 2852 B14R1.70 C=CCSc1ccc(cc1)OCCN 62a_100000210623_100000746992 [0,1,1,0,0,0|1,0,1]=4 2853 B14R1.70 C=CCSc1ccc(cc1)OCCN 62a_100000746992_100000210623 [0,1,1,0,0,0|1,0,1]=4 2854 B14R1.70 C=CCSc1ccc(cc1)OCCO 62a_100000210623_100000686261 [0,1,1,0,0,0|1,0,1]=4 2855 B14R1.70 C=CCSc1ccc(cc1)OCCO 62a_100000686261_100000210623 [0,1,1,0,0,0|1,0,1]=4 2856 B14R1.70 C=CCSc1ccc(cc1)OCOC 62a_100000210623_100012265687 [0,1,1,0,0,0|1,0,1]=4 2857 B14R1.70 C=CCSc1ccc(cc1)OCOC 62a_100012265687_100000210623 [0,1,1,0,0,0|1,0,1]=4 2858 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100000210303_100016291818 [0,1,1,0,0,0|1,1,0]=4 2859 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210303 [0,1,1,0,0,0|1,1,0]=4 2860 B14R1.70 COCSc1ccc(cc1)/C=C/C=O 62a_100000766300_100016291818 [0,1,1,0,0,0|1,1,0]=4 2861 B14R1.70 COCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000766300 [0,1,1,0,0,0|1,1,0]=4 2862 B14R1.70 CSCSc1ccc(cc1)/C=C/C=O 62a_100011218213_100016291818 [0,1,1,0,0,0|1,1,0]=4 2863 B14R1.70 CSCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011218213 [0,1,1,0,0,0|1,1,0]=4 2864 B14R1.70 O=C/C=C/c1ccc(cc1)SCCF 62a_100011217306_100016291818 [0,1,1,0,0,0|1,1,0]=4 2865 B14R1.70 O=C/C=C/c1ccc(cc1)SCCF 62a_100016291818_100011217306 [0,1,1,0,0,0|1,1,0]=4 2866 B14R1.70 O=C/C=C/c1ccc(cc1)SCCO 62a_100000211926_100016291818 [0,1,1,0,0,0|1,1,0]=4 2867 B14R1.70 O=C/C=C/c1ccc(cc1)SCCO 62a_100016291818_100000211926 [0,1,1,0,0,0|1,1,0]=4 2868 B14R1.142 C=C(C)CNc1ccc(cc1)OCC 2230a_100000739623_100000748629 [0,1,1,0,0,0|1,0,1]=4 2869 B14R1.142 C=C(C)CNc1ccc(cc1)OCC 34a_100000739623_100000748629 [0,1,1,0,0,0|1,0,1]=4 2870 B14R1.142 C=C(C)COc1ccc(cc1)OCC 34a_100000185467_100000748629 [0,1,1,0,0,0|1,0,1]=4 2871 B14R1.142 C=C(C)CSc1ccc(cc1)OCC 62a_100000748629_100000171712 [0,1,1,0,0,0|1,0,1]=4 2872 B14R1.142 C=C(F)CNc1ccc(cc1)OCC 2230a_100000739623_100009893438 [0,1,1,0,0,0|1,0,1]=4 2873 B14R1.142 C=C(F)CNc1ccc(cc1)OCC 34a_100000739623_100009893438 [0,1,1,0,0,0|1,0,1]=4 2874 B14R1.142 C=C(F)COc1ccc(cc1)OCC 34a_100000185467_100009893438 [0,1,1,0,0,0|1,0,1]=4 2875 B14R1.142 C=C(F)CSc1ccc(cc1)OCC 62a_100000042424_100000171712 [0,1,1,0,0,0|1,0,1]=4 2876 B14R1.142 CC(=O)/C=C/c1ccc(cc1)OCF 34a_100000189429_100015361967 [0,1,1,0,0,0|1,0,1]=4 2877 B14R1.142 CCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000210202 [0,1,1,0,0,0|0,0,1]=3 2878 B14R1.142 CCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210202 [0,1,1,0,0,0|2,0,0]=4 2879 B14R1.142 CCOc1ccc(cc1)C=CC(=O)C 1458a_100000690215_200000210301 [0,1,1,0,0,0|0,0,1]=3 2880 B14R1.142 CCOc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000690215_200025704644 [0,1,1,0,0,0|0,0,1]=3 2881 B14R1.142 CCOc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000169946 [0,1,1,0,0,0|0,0,2]=4 2882 B14R1.142 CCOc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000169946 [0,1,1,0,0,0|0,0,2]=4 2883 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_100000210202_200016259395 [0,1,1,0,0,0|0,1,1]=4 2884 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_100000210202 [0,1,1,0,0,0|0,1,1]=4 2885 B14R1.465 C/C=C/CNc1ccc(cc1)OCC 34a_100000739623_100102629194 [0,1,1,0,0,0|0,0,2]=4 2886 B14R1.465 C/C=C/COc1ccc(cc1)OCC 34a_100000185467_100102629194 [0,1,1,0,0,0|0,0,2]=4 2887 B14R1.465 C/C=C/CSc1ccc(cc1)OCC 62a_100102629194_100000171712 [0,1,1,0,0,0|0,0,2]=4 2888 B14R1.465 C=CCCNc1ccc(cc1)OCC 2230a_100000739623_100000754431 [0,1,1,0,0,0|0,0,2]=4 2889 B14R1.465 C=CCCNc1ccc(cc1)OCC 34a_100000739623_100000754431 [0,1,1,0,0,0|0,0,2]=4 2890 B14R1.465 C=CCCOc1ccc(cc1)OCC 34a_100000185467_100000754431 [0,1,1,0,0,0|0,0,2]=4 2891 B14R1.465 C=CCCSc1ccc(cc1)OCC 62a_100000754431_100000171712 [0,1,1,0,0,0|0,0,2]=4 2892 B14R1.465 C=CCNCc1ccc(cc1)OCC 2230a_100000185588_100000210623 [0,1,1,0,0,0|0,0,2]=4 2893 B14R1.465 C=CCNCc1ccc(cc1)OCC 270004a_100020586998_100000169836 [0,1,1,0,0,0|0,0,2]=4 2894 B14R1.465 C=CCNCc1ccc(cc1)OCC 34a_100000185588_100015514636 [0,1,1,0,0,0|0,0,2]=4 2895 B14R1.465 C=CCOCc1ccc(cc1)OCC 34a_100000173027_100015514636 [0,1,1,0,0,0|0,0,2]=4 2896 B14R1.465 C=CCOCc1ccc(cc1)OCC 7a_100000173027_100015514636 [0,1,1,0,0,0|0,0,2]=4 2897 B14R1.465 CC=CCNc1ccc(cc1)OCC 2230a_100000739623_100000070051 [0,1,1,0,0,0|0,0,2]=4 2898 B14R1.465 CC=CCNc1ccc(cc1)OCC 34a_100000739623_100000070051 [0,1,1,0,0,0|0,0,2]=4 2899 B14R1.465 CC=CCOc1ccc(cc1)OCC 34a_100000185467_100000070051 [0,1,1,0,0,0|0,0,2]=4 2900 B14R1.465 CC=CCSc1ccc(cc1)OCC 62a_100000070051_100000171712 [0,1,1,0,0,0|0,0,2]=4 2901 B14R1.465 CCCC=Cc1ccc(cc1)OCC 271570a_100016258520_100000169946 [0,1,1,0,0,0|0,0,2]=4 2902 B14R1.465 CCOC=Cc1ccc(cc1)OCC 271570a_100016256518_100000169946 [0,1,1,0,0,0|0,0,2]=4 2903 B14R1.465 CCOc1ccc(cc1)C=CCOC 271570a_100016286323_100000169946 [0,1,1,0,0,0|0,0,2]=4 2904 B14R1.795 C=CCNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000210623 [0,1,1,0,0,0|1,0,1]=4 2905 B14R1.795 C=CCNc1ccc(c(c1)Cl)OCC 34a_100000741444_100015514636 [0,1,1,0,0,0|1,0,1]=4 2906 B14R1.795 C=CCNc1ccc(c(c1)Cl)OCC 7a_100000741444_100015514636 [0,1,1,0,0,0|1,0,1]=4 2907 B14R1.795 C=CCOc1ccc(c(c1)F)OCC 34a_100012771078_100015514636 [0,1,1,0,0,0|1,0,1]=4 2908 B14R1.795 C=CCOc1ccc(c(c1)F)OCC 7a_100012771078_100015514636 [0,1,1,0,0,0|1,0,1]=4 2909 B14R1.795 C=CCSc1ccc(c(c1)C)OCC 62a_100000210623_100011308936 [0,1,1,0,0,0|1,0,1]=4 2910 B14R1.795 C=CCSc1ccc(c(c1)C)OCC 62a_100011308936_100000210623 [0,1,1,0,0,0|1,0,1]=4 2911 B14R1.795 C=CCSc1ccc(c(c1)F)OCC 62a_100000210623_200000171753 [0,1,1,0,0,0|1,0,1]=4 2912 B14R1.795 C=CCSc1ccc(c(c1)F)OCC 62a_200000171753_100000210623 [0,1,1,0,0,0|1,0,1]=4 2913 B14R1.795 C=CCSc1ccc(c(c1)N)OCC 62a_100000751366_100000210623 [0,1,1,0,0,0|1,0,1]=4 2914 B14R1.1356 C=CCNc1ccc(cc1C)OCC 2230a_100000742753_100000210623 [0,1,1,0,0,0|1,0,1]=4 2915 B14R1.1356 C=CCNc1ccc(cc1C)OCC 34a_100000742753_100015514636 [0,1,1,0,0,0|1,0,1]=4 2916 B14R1.1356 C=CCNc1ccc(cc1F)OCC 2230a_100015186438_100000210623 [0,1,1,0,0,0|1,0,1]=4 2917 B14R1.1356 C=CCNc1ccc(cc1F)OCC 34a_100015186438_100015514636 [0,1,1,0,0,0|1,0,1]=4 2918 B14R1.1356 C=CCSc1ccc(cc1C)OCC 62a_100000210623_100012344538 [0,1,1,0,0,0|1,0,1]=4 2919 B14R1.1356 C=CCSc1ccc(cc1F)OCC 62a_100000210623_100000692347 [0,1,1,0,0,0|1,0,1]=4 2920 B14R1.1356 C=CCSc1ccc(cc1F)OCC 62a_100000692347_100000210623 [0,1,1,0,0,0|1,0,1]=4 2921 B14R1.96 C=Cc1ccccc1C=NNC(C)C 4a_100000741168_200011996377 [0,1,1,0,0,0|2,0,0]=4 2922 B14R1.96 C=Cc1ccccc1NCOC(C)C 34a_100012022501_100000709892 [0,1,1,0,0,0|1,0,1]=4 2923 B14R1.96 C=Cc1ccccc1SCOC(C)C 62a_100000709892_100011218376 [0,1,1,0,0,0|1,0,1]=4 2924 B14R1.96 C=Cc1ccccc1SCOC(C)C 62a_100011218376_100000709892 [0,1,1,0,0,0|1,0,1]=4 2925 B14R1.96 CC(C)CC=Cc1ccccc1C=O 271570a_100016259101_100000211189 [0,1,1,0,0,0|2,0,0]=4 2926 B14R1.461 C=Cc1cc(ccc1SCOCC)F 62a_100000739092_100012356183 [0,1,1,0,0,0|1,0,1]=4 2927 B14R1.461 C=Cc1cc(ccc1SCOCC)F 62a_100012356183_100000739092 [0,1,1,0,0,0|1,0,1]=4 2928 B14R1.461 CCCC=Cc1ccc(cc1C=O)Br 271570a_100016258520_100010185651 [0,1,1,0,0,0|2,0,0]=4 2929 B14R1.461 CCCC=Cc1ccc(cc1C=O)C 271570a_100016258520_100011551863 [0,1,1,0,0,0|2,0,0]=4 2930 B14R1.461 CCCC=Cc1ccc(cc1C=O)Cl 271570a_100016258520_100010254386 [0,1,1,0,0,0|2,0,0]=4 2931 B14R1.461 CCCC=Cc1ccc(cc1C=O)F 271570a_100016258520_100011218309 [0,1,1,0,0,0|2,0,0]=4 2932 B14R1.461 CCCC=Cc1ccc(cc1C=O)O 271570a_100016258520_100000690577 [0,1,1,0,0,0|2,0,0]=4 2933 B14R1.461 CCOC=Cc1ccc(cc1C#N)Br 271570a_100016256518_100011219714 [0,1,1,0,0,0|1,0,1]=4 2934 B14R1.461 CCOC=Cc1ccc(cc1C#N)C 271570a_100016256518_100011935190 [0,1,1,0,0,0|1,0,1]=4 2935 B14R1.461 CCOC=Cc1ccc(cc1C#N)Cl 271570a_100016256518_200011356825 [0,1,1,0,0,0|1,0,1]=4 2936 B14R1.461 CCOC=Cc1ccc(cc1C#N)F 271570a_100016256518_100000747550 [0,1,1,0,0,0|1,0,1]=4 2937 B14R1.461 CCOC=Cc1ccc(cc1C#N)N 271570a_100016256518_100011934039 [0,1,1,0,0,0|1,0,1]=4 2938 B14R1.461 CCOC=Cc1ccc(cc1C#N)O 271570a_100016256518_100009818209 [0,1,1,0,0,0|1,0,1]=4 2939 B14R1.461 CCOC=Cc1ccc(cc1C=O)Br 271570a_100016256518_100010185651 [0,1,1,0,0,0|1,0,0]=3 2940 B14R1.461 CCOC=Cc1ccc(cc1C=O)C 271570a_100016256518_100011551863 [0,1,1,0,0,0|1,0,0]=3 2941 B14R1.461 CCOC=Cc1ccc(cc1C=O)Cl 271570a_100016256518_100010254386 [0,1,1,0,0,0|1,0,0]=3 2942 B14R1.461 CCOC=Cc1ccc(cc1C=O)F 271570a_100016256518_100011218309 [0,1,1,0,0,0|1,0,0]=3 2943 B14R1.461 CCOC=Cc1ccc(cc1C=O)O 271570a_100016256518_100000690577 [0,1,1,0,0,0|1,0,0]=3 2944 B14R1.461 CCOC=Cc1ccc(cc1CC)Br 271570a_100016256518_100011216195 [0,1,1,0,0,0|0,0,2]=4 2945 B14R1.461 CCOC=Cc1ccc(cc1CC)N 271570a_100016256518_100010109747 [0,1,1,0,0,0|0,0,2]=4 2946 B14R1.461 CCOC=Cc1ccc(cc1CN)F 271570a_100016256518_100000742738 [0,1,1,0,0,0|1,0,1]=4 2947 B14R1.461 CCOC=Cc1ccc(cc1CO)Br 271570a_100016256518_100011356890 [0,1,1,0,0,0|1,0,1]=4 2948 B14R1.461 CCOC=Cc1ccc(cc1CO)C 271570a_100016256518_100012361352 [0,1,1,0,0,0|1,0,1]=4 2949 B14R1.461 CCOC=Cc1ccc(cc1CO)F 271570a_100016256518_100011217561 [0,1,1,0,0,0|1,0,1]=4 2950 B14R1.461 CCOC=Cc1ccc(cc1CO)N 271570a_100016256518_100012347228 [0,1,1,0,0,0|1,0,1]=4 2951 B14R1.461 CCOC=Cc1ccc(cc1CO)O 271570a_100016256518_100012351483 [0,1,1,0,0,0|1,0,1]=4 2952 B14R1.461 CCOC=Cc1ccc(cc1NC)F 271570a_100016256518_100020633008 [0,1,1,0,0,0|1,0,1]=4 2953 B14R1.461 CCOC=Cc1ccc(cc1NN)F 271570a_100016256518_100012362518 [0,1,1,0,0,0|2,0,0]=4 2954 B14R1.461 CCOC=Cc1ccc(cc1OC)Br 271570a_100016256518_100010245111 [0,1,1,0,0,0|1,0,1]=4 2955 B14R1.461 CCOC=Cc1ccc(cc1OC)C 271570a_100016256518_100010200004 [0,1,1,0,0,0|1,0,1]=4 2956 B14R1.461 CCOC=Cc1ccc(cc1OC)Cl 271570a_100016256518_100000050115 [0,1,1,0,0,0|1,0,1]=4 2957 B14R1.461 CCOC=Cc1ccc(cc1OC)F 271570a_100016256518_100000757151 [0,1,1,0,0,0|1,0,1]=4 2958 B14R1.461 CCOC=Cc1ccc(cc1OC)N 271570a_100016256518_100000765947 [0,1,1,0,0,0|1,0,1]=4 2959 B14R1.461 CCOC=Cc1ccc(cc1OC)O 271570a_100016256518_100011827694 [0,1,1,0,0,0|1,0,1]=4 2960 B14R1.461 CCOC=Cc1ccc(cc1SC)C 271570a_100016256518_200010709736 [0,1,1,0,0,0|1,0,1]=4 2961 B14R1.461 CCOC=Cc1ccc(nc1C=O)C 271570a_100016256518_100010173661 [0,1,1,0,0,0|2,0,0]=4 2962 B14R1.461 CCOC=Cc1ncc(cc1C=O)C 271570a_100016256518_100000050350 [0,1,1,0,0,0|2,0,0]=4 2963 B14R1.461 CCOC=Cc1ncc(cc1C=O)F 271570a_100016256518_100000079965 [0,1,1,0,0,0|2,0,0]=4 2964 B14R1.476 C=Cc1ccccc1C=NNCCC 4a_100000740057_200011996377 [0,1,1,0,0,0|2,0,0]=4 2965 B14R1.476 C=Cc1ccccc1C=NNCCO 4a_100000210001_200011996377 [0,1,1,0,0,0|2,0,0]=4 2966 B14R1.476 C=Cc1ccccc1NC/C=C\CC 34a_100012022501_100103147603 [0,1,1,0,0,0|1,0,1]=4 2967 B14R1.476 C=Cc1ccccc1NCCOCC 34a_100012022501_100000210147 [0,1,1,0,0,0|0,0,2]=4 2968 B14R1.476 C=Cc1ccccc1SC/C=C\CC 62a_100011218376_100103147603 [0,1,1,0,0,0|1,0,1]=4 2969 B14R1.476 C=Cc1ccccc1SC/C=C\CC 62a_100103147603_100011218376 [0,1,1,0,0,0|1,0,1]=4 2970 B14R1.476 C=Cc1ccccc1SCCOCC 62a_100000210147_100011218376 [0,1,1,0,0,0|0,0,2]=4 2971 B14R1.476 C=Cc1ccccc1SCCOCC 62a_100011218376_100011215890 [0,1,1,0,0,0|0,0,2]=4 2972 B14R1.476 CCCCC=Cc1ccccc1C=O 271570a_100016275911_100000211189 [0,1,1,0,0,0|2,0,0]=4 2973 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,1,1,0,0,0|2,0,0]=4 2974 B14R1.883 C=Cc1ccc(cc1SCOCC)F 62a_100000739092_100012354420 [0,1,1,0,0,0|1,0,1]=4 2975 B14R1.883 C=Cc1ccc(cc1SCOCC)F 62a_100012354420_100000739092 [0,1,1,0,0,0|1,0,1]=4 2976 B14R1.883 CCCC=Cc1cc(ccc1C=O)Br 271570a_100016258520_100010146562 [0,1,1,0,0,0|2,0,0]=4 2977 B14R1.883 CCCC=Cc1cc(ccc1C=O)C 271570a_100016258520_100000692596 [0,1,1,0,0,0|2,0,0]=4 2978 B14R1.883 CCCC=Cc1cc(ccc1C=O)F 271570a_100016258520_100000752949 [0,1,1,0,0,0|2,0,0]=4 2979 B14R1.883 CCCC=Cc1cc(ccc1C=O)O 271570a_100016258520_100011236494 [0,1,1,0,0,0|2,0,0]=4 2980 B14R1.883 CCOC=Cc1cc(ccc1C#N)Br 271570a_100016256518_100010214477 [0,1,1,0,0,0|1,0,1]=4 2981 B14R1.883 CCOC=Cc1cc(ccc1C#N)C 271570a_100016256518_100000693804 [0,1,1,0,0,0|1,0,1]=4 2982 B14R1.883 CCOC=Cc1cc(ccc1C#N)Cl 271570a_100016256518_100012355178 [0,1,1,0,0,0|1,0,1]=4 2983 B14R1.883 CCOC=Cc1cc(ccc1C#N)F 271570a_100016256518_100000747196 [0,1,1,0,0,0|1,0,1]=4 2984 B14R1.883 CCOC=Cc1cc(ccc1C#N)N 271570a_100016256518_100000689153 [0,1,1,0,0,0|1,0,1]=4 2985 B14R1.883 CCOC=Cc1cc(ccc1C#N)O 271570a_100016256518_100012184851 [0,1,1,0,0,0|1,0,1]=4 2986 B14R1.883 CCOC=Cc1cc(ccc1C=O)Br 271570a_100016256518_100010146562 [0,1,1,0,0,0|1,0,0]=3 2987 B14R1.883 CCOC=Cc1cc(ccc1C=O)C 271570a_100016256518_100000692596 [0,1,1,0,0,0|1,0,0]=3 2988 B14R1.883 CCOC=Cc1cc(ccc1C=O)F 271570a_100016256518_100000752949 [0,1,1,0,0,0|1,0,0]=3 2989 B14R1.883 CCOC=Cc1cc(ccc1C=O)O 271570a_100016256518_100011236494 [0,1,1,0,0,0|1,0,0]=3 2990 B14R1.883 CCOC=Cc1cc(ccc1CN)F 271570a_100016256518_100000708791 [0,1,1,0,0,0|1,0,1]=4 2991 B14R1.883 CCOC=Cc1cc(ccc1CO)Br 271570a_100016256518_100010146605 [0,1,1,0,0,0|1,0,1]=4 2992 B14R1.883 CCOC=Cc1cc(ccc1CO)Cl 271570a_100016256518_100000722340 [0,1,1,0,0,0|1,0,1]=4 2993 B14R1.883 CCOC=Cc1cc(ccc1CO)F 271570a_100016256518_100000744086 [0,1,1,0,0,0|1,0,1]=4 2994 B14R1.883 CCOC=Cc1cc(ccc1CO)O 271570a_100016256518_100010146404 [0,1,1,0,0,0|1,0,1]=4 2995 B14R1.883 CCOC=Cc1cc(ccc1NC)C 271570a_100016256518_100000221369 [0,1,1,0,0,0|1,0,1]=4 2996 B14R1.883 CCOC=Cc1cc(ccc1NC)F 271570a_100016256518_100011246292 [0,1,1,0,0,0|1,0,1]=4 2997 B14R1.883 CCOC=Cc1cc(ccc1NN)C 271570a_100016256518_100016996181 [0,1,1,0,0,0|2,0,0]=4 2998 B14R1.883 CCOC=Cc1cc(ccc1OC)Br 271570a_100016256518_100012351588 [0,1,1,0,0,0|1,0,1]=4 2999 B14R1.883 CCOC=Cc1cc(ccc1OC)C 271570a_100016256518_100000186399 [0,1,1,0,0,0|1,0,1]=4 3000 B14R1.883 CCOC=Cc1cc(ccc1OC)Cl 271570a_100016256518_100011215930 [0,1,1,0,0,0|1,0,1]=4 3001 B14R1.883 CCOC=Cc1cc(ccc1OC)F 271570a_100016256518_100000171694 [0,1,1,0,0,0|1,0,1]=4 3002 B14R1.883 CCOC=Cc1cc(ccc1OC)N 271570a_100016256518_100000187427 [0,1,1,0,0,0|1,0,1]=4 3003 B14R1.883 CCOC=Cc1cc(ccc1OC)O 271570a_100016256518_100010084122 [0,1,1,0,0,0|1,0,1]=4 3004 B14R1.883 CCOC=Cc1cc(ccc1SC)C 271570a_100016256518_200010201864 [0,1,1,0,0,0|1,0,1]=4 3005 B14R1.883 CCOC=Cc1cc(ccc1SC)F 271570a_100016256518_100009817003 [0,1,1,0,0,0|1,0,1]=4 3006 B14R1.883 CCOC=Cc1cc(ncc1C=O)F 271570a_100016256518_100009862493 [0,1,1,0,0,0|2,0,0]=4 3007 B14R1.883 CCOC=Cc1nc(ccc1C=O)C 271570a_100016256518_100000085379 [0,1,1,0,0,0|2,0,0]=4 3008 B14R1.883 CCOC=Cc1nc(ccc1C=O)F 271570a_100016256518_100009846357 [0,1,1,0,0,0|2,0,0]=4 3009 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [0,1,1,0,0,0|1,0,1]=4 3010 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [0,1,1,0,0,0|2,0,0]=4 3011 B14R1.903 CCOC=Cc1ccccc1B(O)O 271570a_100016256518_100000693059 [0,1,1,0,0,0|2,0,0]=4 3012 B14R1.903 CCOC=Cc1ccccc1C(=O)C 271570a_100016256518_100000751169 [0,1,1,0,0,0|0,0,1]=3 3013 B14R1.903 CCOC=Cc1ccccc1C(=O)N 271570a_100016256518_100000162227 [0,1,1,0,0,0|1,0,0]=3 3014 B14R1.903 CCOC=Cc1ccccc1C(C)C 271570a_100016256518_100011218076 [0,1,1,0,0,0|0,0,2]=4 3015 B14R1.903 CCOC=Cc1ccccc1C(C)N 271570a_100016256518_100000181357 [0,1,1,0,0,0|0,0,2]=4 3016 B14R1.903 CCOC=Cc1ccccc1C(C)O 271570a_100016256518_100000702211 [0,1,1,0,0,0|0,0,2]=4 3017 B14R1.903 CCOC=Cc1ccccc1C(F)F 271570a_100016256518_100010169824 [0,1,1,0,0,0|1,0,1]=4 3018 B14R1.903 CCOC=Cc1ccccc1N(C)C 271570a_100016256518_100011290883 [0,1,1,0,0,0|1,0,1]=4 3019 B14R1.903 CCOC=Cc1ccccc1S(=O)C 271570a_100016256518_100000734199 [0,1,1,0,0,0|1,0,1]=4 3020 B14R1.903 CCOC=Cc1cccnc1C(=O)C 271570a_100016256518_100012348690 [0,1,1,0,0,0|1,0,1]=4 3021 B14R1.903 CCOC=Cc1cccnc1C(=O)N 271570a_100016256518_200012359670 [0,1,1,0,0,0|2,0,0]=4 3022 B14R1.903 CCOC=Cc1ccncc1C(=O)C 271570a_100016256518_100160469449 [0,1,1,0,0,0|1,0,1]=4 3023 B14R1.903 CCOC=Cc1ccncc1C(=O)N 271570a_100016256518_100000697804 [0,1,1,0,0,0|2,0,0]=4 3024 B14R1.903 CCOC=Cc1cnccc1C(=O)C 271570a_100016256518_100009993184 [0,1,1,0,0,0|1,0,1]=4 3025 B14R1.903 CCOC=Cc1cnccc1C(=O)N 271570a_100016256518_100010205435 [0,1,1,0,0,0|2,0,0]=4 3026 B14R1.903 CCOC=Cc1ncccc1C(=O)C 271570a_100016256518_100000753718 [0,1,1,0,0,0|1,0,1]=4 3027 B14R1.903 CCOC=Cc1ncccc1C(=O)N 271570a_100016256518_100000162199 [0,1,1,0,0,0|2,0,0]=4 3028 B14R1.904 C=CCc1ccccc1C=CCCC 271570a_100016258520_100009828059 [0,1,1,0,0,0|1,0,0]=3 3029 B14R1.904 C=CCc1ccccc1C=CCOC 271570a_100016286323_100009828059 [0,1,1,0,0,0|2,0,0]=4 3030 B14R1.904 C=CCc1ccccc1C=COCC 271570a_100016256518_100009828059 [0,1,1,0,0,0|0,0,0]=2 3031 B14R1.904 C=CCc1ccccc1C=NNCC 4a_100000756455_100010619294 [0,1,1,0,0,0|2,0,0]=4 3032 B14R1.904 C=CCc1ccccc1SCOCC 62a_100000739092_100009828059 [0,1,1,0,0,0|1,0,1]=4 3033 B14R1.904 C=CCc1ccccc1SCOCC 62a_100009828059_100000739092 [0,1,1,0,0,0|1,0,1]=4 3034 B14R1.904 CCNc1ccccc1C=COCC 271570a_100016256518_114873767003 [0,1,1,0,0,0|0,0,2]=4 3035 B14R1.904 CCOC=Cc1ccccc1CC#N 271570a_100016256518_100000033512 [0,1,1,0,0,0|0,0,2]=4 3036 B14R1.904 CCOC=Cc1ccccc1CCN 271570a_100016256518_100000747383 [0,1,1,0,0,0|0,0,2]=4 3037 B14R1.904 CCOC=Cc1ccccc1CCO 271570a_100016256518_100000731337 [0,1,1,0,0,0|0,0,2]=4 3038 B14R1.904 CCOC=Cc1ccccc1CNC 271570a_100016256518_100000184654 [0,1,1,0,0,0|0,0,2]=4 3039 B14R1.904 CCOC=Cc1ccccc1CNN 271570a_100016256518_200016993956 [0,1,1,0,0,0|1,0,1]=4 3040 B14R1.904 CCOC=Cc1ccccc1COC 271570a_100016256518_100011493684 [0,1,1,0,0,0|0,0,2]=4 3041 B14R1.904 CCOC=Cc1ccccc1CSC 271570a_100016256518_100000148299 [0,1,1,0,0,0|0,0,2]=4 3042 B14R1.904 CCOC=Cc1ccccc1N=[N+]=[N-] 271570a_100016256518_100000762926 [0,1,1,0,0,0|2,0,0]=4 3043 B14R1.904 CCOC=Cc1ccccc1OCC 271570a_100016256518_100000230754 [0,1,1,0,0,0|0,0,2]=4 3044 B14R1.904 CCOC=Cc1ccccc1SCC 271570a_100016256518_100000230856 [0,1,1,0,0,0|0,0,2]=4 3045 B14R1.939 C=Cc1ccccc1C(=O)CCCC 1458a_100011830265_100000210211 [0,1,1,0,0,0|1,0,1]=4 3046 B14R1.939 C=Cc1ccccc1C(=O)NCCC 1626a_100020643023_100011830265 [0,1,1,0,0,0|2,0,0]=4 3047 B14R1.939 C=Cc1ccccc1C(=O)NCCC 271570a_100011290941_200000152266 [0,1,1,0,0,0|2,0,0]=4 3048 B14R1.939 C=Cc1ccccc1C(=O)NNCC 22a_100000756455_100011830265 [0,1,1,0,0,0|2,0,0]=4 3049 B14R1.965 C=Cc1ccccc1CC(=O)NCC 271570a_100011290941_200009816148 [0,1,1,0,0,0|1,0,1]=4 3050 B14R1.965 C=Cc1ccccc1CC(=O)OCC 271570a_100011290941_100011218996 [0,1,1,0,0,0|0,0,1]=3 3051 B14R1.965 C=Cc1ccccc1NC(=O)CCC 11a_100012022501_100000211992 [0,1,1,0,0,0|2,0,0]=4 3052 B14R1.965 C=Cc1ccccc1NC(=O)CCC 1626a_100012022501_100000211992 [0,1,1,0,0,0|2,0,0]=4 3053 B14R1.965 C=Cc1ccccc1NC(=O)CCC 22a_100012022501_100000211992 [0,1,1,0,0,0|2,0,0]=4 3054 B14R1.965 C=Cc1ccccc1NC(=O)CCC 271570a_100011290941_100000153530 [0,1,1,0,0,0|2,0,0]=4 3055 B14R1.965 C=Cc1ccccc1NC(=O)NCC 2430a_100012022501_100015525214 [0,1,1,0,0,0|2,0,0]=4 3056 B14R1.965 C=Cc1cccnc1CC(=O)OCC 271570a_100011290941_100016306959 [0,1,1,0,0,0|1,0,1]=4 3057 B14R1.965 C=Cc1cnccc1CC(=O)OCC 271570a_100011290941_100010089795 [0,1,1,0,0,0|1,0,1]=4 3058 B14R1.965 C=Cc1ncccc1CC(=O)OCC 271570a_100011290941_100009886914 [0,1,1,0,0,0|1,0,1]=4 3059 B14R1.3381 CCCC=Cc1c(cccc1C=O)F 271570a_100016258520_100011998484 [0,1,1,0,0,0|2,0,0]=4 3060 B14R1.3381 CCCC=Cc1c(cccc1C=O)O 271570a_100016258520_100009816417 [0,1,1,0,0,0|2,0,0]=4 3061 B14R1.3381 CCOC=Cc1c(cccc1C#N)Br 271570a_100016256518_100000703783 [0,1,1,0,0,0|1,0,1]=4 3062 B14R1.3381 CCOC=Cc1c(cccc1C#N)C 271570a_100016256518_100011934862 [0,1,1,0,0,0|1,0,1]=4 3063 B14R1.3381 CCOC=Cc1c(cccc1C#N)Cl 271570a_100016256518_100010134094 [0,1,1,0,0,0|1,0,1]=4 3064 B14R1.3381 CCOC=Cc1c(cccc1C#N)F 271570a_100016256518_100011219237 [0,1,1,0,0,0|1,0,1]=4 3065 B14R1.3381 CCOC=Cc1c(cccc1C#N)N 271570a_100016256518_100009877206 [0,1,1,0,0,0|1,0,1]=4 3066 B14R1.3381 CCOC=Cc1c(cccc1C#N)O 271570a_100016256518_100009818990 [0,1,1,0,0,0|1,0,1]=4 3067 B14R1.3381 CCOC=Cc1c(cccc1C=O)F 271570a_100016256518_100011998484 [0,1,1,0,0,0|1,0,0]=3 3068 B14R1.3381 CCOC=Cc1c(cccc1C=O)O 271570a_100016256518_100009816417 [0,1,1,0,0,0|1,0,0]=3 3069 B14R1.3381 CCOC=Cc1c(cccc1CC)C 271570a_100016256518_100000036235 [0,1,1,0,0,0|0,0,2]=4 3070 B14R1.3381 CCOC=Cc1c(cccc1CO)Br 271570a_100016256518_100010146604 [0,1,1,0,0,0|1,0,1]=4 3071 B14R1.3381 CCOC=Cc1c(cccc1CO)C 271570a_100016256518_100011659289 [0,1,1,0,0,0|1,0,1]=4 3072 B14R1.3381 CCOC=Cc1c(cccc1CO)F 271570a_100016256518_100000692438 [0,1,1,0,0,0|1,0,1]=4 3073 B14R1.3381 CCOC=Cc1c(cccc1OC)Br 271570a_100016256518_100010131421 [0,1,1,0,0,0|1,0,1]=4 3074 B14R1.3381 CCOC=Cc1c(cccc1OC)F 271570a_100016256518_100000041735 [0,1,1,0,0,0|1,0,1]=4 3075 B14R1.3381 CCOC=Cc1c(cccc1OC)N 271570a_100016256518_100000703447 [0,1,1,0,0,0|1,0,1]=4 3076 B14R1.3381 CCOC=Cc1c(cccc1OC)O 271570a_100016256518_100010202623 [0,1,1,0,0,0|1,0,1]=4 3077 B14R1.3381 CCOC=Cc1c(ccnc1F)C=O 271570a_100016256518_100009856171 [0,1,1,0,0,0|2,0,0]=4 3078 B14R1.3619 CCCC=Cc1cccc(c1C=O)C 271570a_100016258520_100000041122 [0,1,1,0,0,0|2,0,0]=4 3079 B14R1.3619 CCCC=Cc1cccc(c1C=O)Cl 271570a_100016258520_100010147682 [0,1,1,0,0,0|2,0,0]=4 3080 B14R1.3619 CCCC=Cc1cccc(c1C=O)F 271570a_100016258520_100000210083 [0,1,1,0,0,0|2,0,0]=4 3081 B14R1.3619 CCCC=Cc1cccc(c1C=O)N 271570a_100016258520_100010232536 [0,1,1,0,0,0|2,0,0]=4 3082 B14R1.3619 CCCC=Cc1cccc(c1C=O)O 271570a_100016258520_100009814793 [0,1,1,0,0,0|2,0,0]=4 3083 B14R1.3619 CCOC=Cc1cccc(c1C#N)Br 271570a_100016256518_100010071968 [0,1,1,0,0,0|1,0,1]=4 3084 B14R1.3619 CCOC=Cc1cccc(c1C#N)C 271570a_100016256518_100009819585 [0,1,1,0,0,0|1,0,1]=4 3085 B14R1.3619 CCOC=Cc1cccc(c1C#N)Cl 271570a_100016256518_200000049503 [0,1,1,0,0,0|1,0,1]=4 3086 B14R1.3619 CCOC=Cc1cccc(c1C#N)F 271570a_100016256518_100000699744 [0,1,1,0,0,0|1,0,1]=4 3087 B14R1.3619 CCOC=Cc1cccc(c1C#N)N 271570a_100016256518_100011935054 [0,1,1,0,0,0|1,0,1]=4 3088 B14R1.3619 CCOC=Cc1cccc(c1C#N)O 271570a_100016256518_100012180507 [0,1,1,0,0,0|1,0,1]=4 3089 B14R1.3619 CCOC=Cc1cccc(c1C=O)C 271570a_100016256518_100000041122 [0,1,1,0,0,0|1,0,0]=3 3090 B14R1.3619 CCOC=Cc1cccc(c1C=O)Cl 271570a_100016256518_100010147682 [0,1,1,0,0,0|1,0,0]=3 3091 B14R1.3619 CCOC=Cc1cccc(c1C=O)F 271570a_100016256518_100000210083 [0,1,1,0,0,0|1,0,0]=3 3092 B14R1.3619 CCOC=Cc1cccc(c1C=O)N 271570a_100016256518_100010232536 [0,1,1,0,0,0|1,0,0]=3 3093 B14R1.3619 CCOC=Cc1cccc(c1C=O)O 271570a_100016256518_100009814793 [0,1,1,0,0,0|1,0,0]=3 3094 B14R1.3619 CCOC=Cc1cccc(c1CN)F 271570a_100016256518_100012349121 [0,1,1,0,0,0|1,0,1]=4 3095 B14R1.3619 CCOC=Cc1cccc(c1CO)F 271570a_100016256518_100012355691 [0,1,1,0,0,0|1,0,1]=4 3096 B14R1.3619 CCOC=Cc1cccc(c1CO)N 271570a_100016256518_100000747656 [0,1,1,0,0,0|1,0,1]=4 3097 B14R1.3619 CCOC=Cc1cccc(c1NC)N 271570a_100016256518_100010510394 [0,1,1,0,0,0|1,0,1]=4 3098 B14R1.3619 CCOC=Cc1cccc(c1NN)F 271570a_100016256518_100016994982 [0,1,1,0,0,0|2,0,0]=4 3099 B14R1.3619 CCOC=Cc1cccc(c1OC)Br 271570a_100016256518_100010146560 [0,1,1,0,0,0|1,0,1]=4 3100 B14R1.3619 CCOC=Cc1cccc(c1OC)C 271570a_100016256518_100010141385 [0,1,1,0,0,0|1,0,1]=4 3101 B14R1.3619 CCOC=Cc1cccc(c1OC)Cl 271570a_100016256518_100010147678 [0,1,1,0,0,0|1,0,1]=4 3102 B14R1.3619 CCOC=Cc1cccc(c1OC)F 271570a_100016256518_100009816759 [0,1,1,0,0,0|1,0,1]=4 3103 B14R1.3619 CCOC=Cc1cccc(c1OC)N 271570a_100016256518_100011935253 [0,1,1,0,0,0|1,0,1]=4 3104 B14R1.3619 CCOC=Cc1cccc(c1OC)O 271570a_100016256518_100010234590 [0,1,1,0,0,0|1,0,1]=4 3105 B14R1.3619 CCOC=Cc1cccc(c1SC)F 271570a_100016256518_200010709249 [0,1,1,0,0,0|1,0,1]=4 3106 B14R1.3619 CCOC=Cc1ccnc(c1C=O)Cl 271570a_100016256518_100000047006 [0,1,1,0,0,0|2,0,0]=4 3107 B14R1.3619 CCOC=Cc1ccnc(c1C=O)F 271570a_100016256518_100009828249 [0,1,1,0,0,0|2,0,0]=4 3108 B14R1.3619 CCOC=Cc1ccnc(c1C=O)N 271570a_100016256518_100009843235 [0,1,1,0,0,0|2,0,0]=4 3109 B14R1.3619 CCOC=Cc1cncc(c1C=O)F 271570a_100016256518_100010064882 [0,1,1,0,0,0|2,0,0]=4 3110 B14R1.3619 CCOC=Cc1nccc(c1C=O)O 271570a_100016256518_200010729673 [0,1,1,0,0,0|2,0,0]=4 3111 B14R1.439 C=C=Cc1cc(ccc1C)OC(C)C 271570a_100015277604_200010081138 [0,1,1,0,0,0|0,0,2]=4 3112 B14R1.439 CC=Cc1cc(ccc1C)OC(C)C 271570a_100016259895_200010081138 [0,1,1,0,0,0|0,0,2]=4 3113 B14R1.489 CCOc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100011099959 [0,1,1,0,0,0|0,0,2]=4 3114 B14R1.761 C=CCSc1cc(ccc1C)OCC 62a_100000210623_100011099959 [0,1,1,0,0,0|0,0,2]=4 3115 B14R1.791 C=C=Cc1cc(ccc1C)OCOC 271570a_100015277604_200015918306 [0,1,1,0,0,0|0,0,2]=4 3116 B14R1.791 CC=Cc1cc(ccc1C)OCOC 271570a_100016259895_200015918306 [0,1,1,0,0,0|0,0,2]=4 3117 B14R1.6787 C=C=Cc1cc(ccc1C=O)OCC 271570a_100015277604_200012721597 [0,1,1,0,0,0|0,0,1]=3 3118 B14R1.6787 C=CCc1cc(ccc1OC)OCC 7a_100000184798_200000210301 [0,1,1,0,0,0|0,0,2]=4 3119 B14R1.6787 C=CCc1cc(ccc1O[13CH3])OCC 7a_100000184798_200025704644 [0,1,1,0,0,0|0,0,2]=4 3120 B14R1.6787 CC=Cc1cc(ccc1C=O)OCC 271570a_100016259895_200012721597 [0,1,1,0,0,0|0,0,1]=3 3121 B14R1.492 C=C(C)c1ccc(cc1C=O)OCC 271570a_100000694244_100012345016 [0,1,1,0,0,0|1,0,0]=3 3122 B14R1.492 C=C(C)c1cnc(cc1C=O)OCC 271570a_100000694244_200010223332 [0,1,1,0,0,0|2,0,0]=4 3123 B14R1.793 C=Cc1cc(ccc1OC)OCOC 271570a_100011290941_200161107199 [0,1,1,0,0,0|1,0,1]=4 3124 B14R1.3651 C=Cc1ccc(cc1C=O)OC(=O)C 271570a_100011290941_100009816906 [0,1,1,0,0,0|1,0,1]=4 3125 B14R1.3651 C=Cc1ccc(cc1C=O)OC(C)C 271570a_100011290941_200012936200 [0,1,1,0,0,0|1,0,0]=3 3126 B14R1.3651 C=Cc1ccc(cc1C=O)OC(F)F 271570a_100011290941_100012945900 [0,1,1,0,0,0|2,0,0]=4 3127 B14R1.6788 C=C=Cc1ccc(cc1C=O)OCC 271570a_100015277604_100012345016 [0,1,1,0,0,0|1,0,0]=3 3128 B14R1.6788 C=C=Cc1cnc(cc1C=O)OCC 271570a_100015277604_200010223332 [0,1,1,0,0,0|2,0,0]=4 3129 B14R1.6788 CC=Cc1ccc(cc1C=O)OCC 271570a_100016259895_100012345016 [0,1,1,0,0,0|1,0,0]=3 3130 B14R1.6788 CC=Cc1cnc(cc1C=O)OCC 271570a_100016259895_200010223332 [0,1,1,0,0,0|2,0,0]=4 3131 B14R1.6794 C=C(C)c1cc(ccc1C=O)OCC 271570a_100000694244_200012721597 [0,1,1,0,0,0|1,0,0]=3 3132 B14R1.14946 C=Cc1cc(c(cc1C#N)OCC)O 271570a_100011290941_100009814618 [0,1,1,0,0,0|1,0,1]=4 3133 B14R1.14946 C=Cc1cc(c(cc1C=O)OCC)O 271570a_100011290941_100009812231 [0,1,1,0,0,0|1,0,0]=3 3134 B14R1.140 C=C=Cc1ccc(cc1F)OC(C)C 271570a_100015277604_200012236954 [0,1,1,0,0,0|1,0,1]=4 3135 B14R1.140 CC=Cc1ccc(cc1F)OC(C)C 271570a_100016259895_200012236954 [0,1,1,0,0,0|1,0,1]=4 3136 B14R1.490 CCOc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100012344538 [0,1,1,0,0,0|0,0,2]=4 3137 B14R1.490 CCOc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000692347 [0,1,1,0,0,0|1,0,1]=4 3138 B14R1.10286 C=C=Cc1ccc(c(c1F)F)OCC 271570a_100015277604_100010177744 [0,1,1,0,0,0|1,0,1]=4 3139 B14R1.10286 CC=Cc1ccc(c(c1F)F)OCC 271570a_100016259895_100010177744 [0,1,1,0,0,0|1,0,1]=4 3140 B14R1.882 CCNN=CC=Cc1ccccc1Br 4a_100000756455_200016268969 [0,1,1,0,0,0|2,0,0]=4 3141 B14R1.882 CCNN=CC=Cc1ccccc1Cl 4a_100000756455_200102525841 [0,1,1,0,0,0|2,0,0]=4 3142 B14R1.882 CCNN=CC=Cc1ccccc1F 4a_100000756455_200102525844 [0,1,1,0,0,0|2,0,0]=4 3143 B14R1.468 C=C(C)CNc1cccc(c1)OCC 2230a_100000742568_100000748629 [0,1,1,0,0,0|1,0,1]=4 3144 B14R1.468 C=C(C)CNc1cccc(c1)OCC 34a_100000742568_100000748629 [0,1,1,0,0,0|1,0,1]=4 3145 B14R1.468 C=C(C)COc1cccc(c1)OCC 34a_100011215941_100000748629 [0,1,1,0,0,0|1,0,1]=4 3146 B14R1.468 C=C(C)COc1cccc(c1)OCC 7a_100011215941_100000748629 [0,1,1,0,0,0|1,0,1]=4 3147 B14R1.468 C=C(C)CSc1cccc(c1)OCC 62a_100000748629_100000170002 [0,1,1,0,0,0|1,0,1]=4 3148 B14R1.468 C=C(F)CNc1cccc(c1)OCC 2230a_100000742568_100009893438 [0,1,1,0,0,0|1,0,1]=4 3149 B14R1.468 C=C(F)CNc1cccc(c1)OCC 34a_100000742568_100009893438 [0,1,1,0,0,0|1,0,1]=4 3150 B14R1.468 C=C(F)COc1cccc(c1)OCC 34a_100011215941_100009893438 [0,1,1,0,0,0|1,0,1]=4 3151 B14R1.468 C=C(F)COc1cccc(c1)OCC 7a_100011215941_100000042424 [0,1,1,0,0,0|1,0,1]=4 3152 B14R1.468 C=C(F)CSc1cccc(c1)OCC 62a_100000042424_100000170002 [0,1,1,0,0,0|1,0,1]=4 3153 B14R1.468 CCOc1cccc(c1)C=CC(=O)C 1458a_100011214976_200000210301 [0,1,1,0,0,0|0,0,1]=3 3154 B14R1.468 CCOc1cccc(c1)C=CC(=O)[13CH3] 1458a_100011214976_200025704644 [0,1,1,0,0,0|0,0,1]=3 3155 B14R1.468 CCOc1cccc(c1)C=CC(C)C 271570a_100016257149_100000170002 [0,1,1,0,0,0|0,0,2]=4 3156 B14R1.468 CCOc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170002 [0,1,1,0,0,0|0,0,2]=4 3157 B14R1.468 CCSc1cccc(c1)/C=C/C(=O)C 62a_100000210202_200016266566 [0,1,1,0,0,0|0,1,1]=4 3158 B14R1.468 CCSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_100000210202 [0,1,1,0,0,0|0,1,1]=4 3159 B14R1.470 C=CC(=O)Nc1cccc(c1)NCC 34a_100012282147_100000210202 [0,1,1,0,0,0|2,0,0]=4 3160 B14R1.470 C=CC(=O)Nc1cccc(c1)OCC 1626a_100000742568_100000185746 [0,1,1,0,0,0|1,0,0]=3 3161 B14R1.470 C=CC(=O)Nc1cccc(c1)OCC 22a_100000742568_100000185746 [0,1,1,0,0,0|1,0,0]=3 3162 B14R1.470 C=CC(=O)Nc1cccc(c1)OCC 34a_100011235909_100000210202 [0,1,1,0,0,0|1,0,0]=3 3163 B14R1.470 C=CC(=O)Nc1cccc(c1)OCC 7a_100011235909_100000210202 [0,1,1,0,0,0|1,0,0]=3 3164 B14R1.470 C=CC(=O)Nc1cccc(c1)OCF 34a_100011235909_100015361967 [0,1,1,0,0,0|2,0,0]=4 3165 B14R1.470 C=CC(=O)Nc1cccc(c1)OCF 7a_100011235909_100015361967 [0,1,1,0,0,0|2,0,0]=4 3166 B14R1.470 C=CC(C)Sc1cccc(c1)OCC 62a_100011215867_100000170002 [0,1,1,0,0,0|1,0,1]=4 3167 B14R1.471 C=CCC(=O)c1cccc(c1)OCC 1458a_100000216331_100000210623 [0,1,1,0,0,0|0,0,1]=3 3168 B14R1.762 C=CCSc1cc(cc(c1)OCC)F 62a_100000210623_100012343907 [0,1,1,0,0,0|1,0,1]=4 3169 B14R1.762 C=CCSc1cc(cc(c1)OCC)F 62a_100012343907_100000210623 [0,1,1,0,0,0|1,0,1]=4 3170 B14R1.778 C=CCNc1cccc(c1)OC(C)C 2230a_100011194262_100000210623 [0,1,1,0,0,0|1,0,1]=4 3171 B14R1.778 C=CCNc1cccc(c1)OC(C)C 34a_100011194262_100015514636 [0,1,1,0,0,0|1,0,1]=4 3172 B14R1.778 C=CCNc1cccc(c1)OC(C)C 7a_100011194262_100015514636 [0,1,1,0,0,0|1,0,1]=4 3173 B14R1.778 C=CCOc1cccc(c1)OC(C)C 34a_100000753242_100015514636 [0,1,1,0,0,0|1,0,1]=4 3174 B14R1.778 C=CCOc1cccc(c1)OC(C)C 7a_100000753242_100015514636 [0,1,1,0,0,0|1,0,1]=4 3175 B14R1.778 C=CCSc1cccc(c1)OC(C)C 62a_100000170003_100000210623 [0,1,1,0,0,0|1,0,1]=4 3176 B14R1.778 C=CCSc1cccc(c1)OC(C)C 62a_100000210623_100000170003 [0,1,1,0,0,0|1,0,1]=4 3177 B14R1.779 C=CCNc1cccc(c1)OCCO 2230a_100011232151_100000210623 [0,1,1,0,0,0|1,0,1]=4 3178 B14R1.779 C=CCNc1cccc(c1)OCCO 34a_100011232151_100015514636 [0,1,1,0,0,0|1,0,1]=4 3179 B14R1.779 C=CCNc1cccc(c1)OCOC 34a_100012265470_100015514636 [0,1,1,0,0,0|1,0,1]=4 3180 B14R1.779 C=CCOc1cccc(c1)OCCC 34a_100000748497_100015514636 [0,1,1,0,0,0|1,0,1]=4 3181 B14R1.779 C=CCOc1cccc(c1)OCCC 7a_100000748497_100015514636 [0,1,1,0,0,0|1,0,1]=4 3182 B14R1.779 C=CCSc1cccc(c1)COCC 62a_100000210623_100011493694 [0,1,1,0,0,0|1,0,1]=4 3183 B14R1.779 C=CCSc1cccc(c1)COCC 62a_100011493694_100000210623 [0,1,1,0,0,0|1,0,1]=4 3184 B14R1.779 C=CCSc1cccc(c1)OCCC 62a_100000170004_100000210623 [0,1,1,0,0,0|1,0,1]=4 3185 B14R1.779 C=CCSc1cccc(c1)OCCC 62a_100000210623_100000170004 [0,1,1,0,0,0|1,0,1]=4 3186 B14R1.779 C=CCSc1cccc(c1)OCCN 62a_100000210623_100000743521 [0,1,1,0,0,0|1,0,1]=4 3187 B14R1.779 C=CCSc1cccc(c1)OCCN 62a_100000743521_100000210623 [0,1,1,0,0,0|1,0,1]=4 3188 B14R1.779 C=CCSc1cccc(c1)OCCO 62a_100000210623_100000757546 [0,1,1,0,0,0|1,0,1]=4 3189 B14R1.779 C=CCSc1cccc(c1)OCCO 62a_100000757546_100000210623 [0,1,1,0,0,0|1,0,1]=4 3190 B14R1.779 C=CCSc1cccc(c1)OCOC 62a_100000210623_100012265688 [0,1,1,0,0,0|1,0,1]=4 3191 B14R1.779 C=CCSc1cccc(c1)OCOC 62a_100012265688_100000210623 [0,1,1,0,0,0|1,0,1]=4 3192 B14R1.782 C=CCSc1cccc(c1N)OCC 62a_200103155331_100000210623 [0,1,1,0,0,0|1,0,1]=4 3193 B14R1.898 C/C=C/CNc1cccc(c1)OCC 34a_100000742568_100102629194 [0,1,1,0,0,0|0,0,2]=4 3194 B14R1.898 C/C=C/COc1cccc(c1)OCC 34a_100011215941_100102629194 [0,1,1,0,0,0|0,0,2]=4 3195 B14R1.898 C/C=C/COc1cccc(c1)OCC 7a_100011215941_100102629194 [0,1,1,0,0,0|0,0,2]=4 3196 B14R1.898 C/C=C/CSc1cccc(c1)OCC 62a_100102629194_100000170002 [0,1,1,0,0,0|0,0,2]=4 3197 B14R1.898 C=CCCNc1cccc(c1)OCC 2230a_100000742568_100000754431 [0,1,1,0,0,0|0,0,2]=4 3198 B14R1.898 C=CCCNc1cccc(c1)OCC 34a_100000742568_100000754431 [0,1,1,0,0,0|0,0,2]=4 3199 B14R1.898 C=CCCOc1cccc(c1)OCC 34a_100011215941_100000754431 [0,1,1,0,0,0|0,0,2]=4 3200 B14R1.898 C=CCCOc1cccc(c1)OCC 7a_100011215941_100000754431 [0,1,1,0,0,0|0,0,2]=4 3201 B14R1.898 C=CCCSc1cccc(c1)OCC 62a_100000754431_100000170002 [0,1,1,0,0,0|0,0,2]=4 3202 B14R1.898 C=CCNCc1cccc(c1)OCC 2230a_106359896916_100000210623 [0,1,1,0,0,0|0,0,2]=4 3203 B14R1.898 C=CCNCc1cccc(c1)OCC 270004a_100020586998_100000170239 [0,1,1,0,0,0|0,0,2]=4 3204 B14R1.898 C=CCNCc1cccc(c1)OCC 34a_106359896916_100015514636 [0,1,1,0,0,0|0,0,2]=4 3205 B14R1.898 C=CCOCc1cccc(c1)OCC 34a_200011232711_100015514636 [0,1,1,0,0,0|0,0,2]=4 3206 B14R1.898 C=CCOCc1cccc(c1)OCC 7a_200011232711_100015514636 [0,1,1,0,0,0|0,0,2]=4 3207 B14R1.898 CC=CCNc1cccc(c1)OCC 2230a_100000742568_100000070051 [0,1,1,0,0,0|0,0,2]=4 3208 B14R1.898 CC=CCNc1cccc(c1)OCC 34a_100000742568_100000070051 [0,1,1,0,0,0|0,0,2]=4 3209 B14R1.898 CC=CCOc1cccc(c1)OCC 34a_100011215941_100000070051 [0,1,1,0,0,0|0,0,2]=4 3210 B14R1.898 CC=CCOc1cccc(c1)OCC 7a_100011215941_100000070051 [0,1,1,0,0,0|0,0,2]=4 3211 B14R1.898 CC=CCSc1cccc(c1)OCC 62a_100000070051_100000170002 [0,1,1,0,0,0|0,0,2]=4 3212 B14R1.898 CCCC=Cc1cccc(c1)OCC 271570a_100016258520_100000170002 [0,1,1,0,0,0|0,0,2]=4 3213 B14R1.898 CCOC=Cc1cccc(c1)OCC 271570a_100016256518_100000170002 [0,1,1,0,0,0|0,0,2]=4 3214 B14R1.898 CCOc1cccc(c1)C=CCOC 271570a_100016286323_100000170002 [0,1,1,0,0,0|0,0,2]=4 3215 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [1,1,0,0,0,0|0,0,2]=4 3216 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [1,1,0,0,0,0|0,0,2]=4 3217 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [1,1,0,0,0,0|0,0,2]=4 3218 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [1,1,0,0,0,0|0,0,2]=4 3219 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [1,1,0,0,0,0|0,0,2]=4 3220 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [1,1,0,0,0,0|1,0,0]=3 3221 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [1,1,0,0,0,0|1,0,0]=3 3222 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [1,1,0,0,0,0|1,0,0]=3 3223 B14R2.92 CNc1ccc2cnccc2c1Cl 34a_100009851981_200000210301 [1,1,0,0,0,0|2,0,0]=4 3224 B14R2.92 CNc1ccc2ncccc2c1Br 34a_200009995563_200000210301 [1,1,0,0,0,0|2,0,0]=4 3225 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [1,1,0,0,0,0|0,0,0]=2 3226 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [1,1,0,0,0,0|0,0,0]=2 3227 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [1,1,0,0,0,0|0,0,0]=2 3228 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [1,1,0,0,0,0|0,0,0]=2 3229 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [1,1,0,0,0,0|0,0,0]=2 3230 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [1,1,0,0,0,0|0,0,0]=2 3231 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [1,1,0,0,0,0|0,0,0]=2 3232 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [1,1,0,0,0,0|0,0,0]=2 3233 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [1,1,0,0,0,0|0,0,0]=2 3234 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [1,1,0,0,0,0|0,0,0]=2 3235 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [1,1,0,0,0,0|0,0,0]=2 3236 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [1,1,0,0,0,0|1,0,0]=3 3237 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [1,1,0,0,0,0|1,0,0]=3 3238 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [1,1,0,0,0,0|1,0,0]=3 3239 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3240 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [1,1,0,0,0,0|1,0,0]=3 3241 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [1,1,0,0,0,0|1,0,0]=3 3242 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [1,1,0,0,0,0|1,0,0]=3 3243 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [1,1,0,0,0,0|1,1,0]=4 3244 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [1,1,0,0,0,0|0,1,0]=3 3245 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [1,1,0,0,0,0|0,1,0]=3 3246 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [1,1,0,0,0,0|0,1,0]=3 3247 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [1,1,0,0,0,0|0,1,0]=3 3248 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [1,1,0,0,0,0|0,1,0]=3 3249 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [1,1,0,0,0,0|0,1,0]=3 3250 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [1,1,0,0,0,0|0,1,0]=3 3251 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [1,1,0,0,0,0|0,1,0]=3 3252 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [1,1,0,0,0,0|1,1,0]=4 3253 B14R2.92 CSc1ccc2cccnc2c1F 62a_100010751467_200000210301 [1,1,0,0,0,0|1,1,0]=4 3254 B14R2.92 CSc1ccc2cccnc2c1F 62a_200000210301_100010751467 [1,1,0,0,0,0|1,1,0]=4 3255 B14R2.92 CSc1ccc2cccnc2c1O 62a_200000210301_100009816563 [1,1,0,0,0,0|1,1,0]=4 3256 B14R2.92 CSc1ccc2cnccc2c1N 62a_100010191621_200000210301 [1,1,0,0,0,0|1,1,0]=4 3257 B14R2.92 CSc1ccc2cnccc2c1N 62a_200000210301_100010191621 [1,1,0,0,0,0|1,1,0]=4 3258 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [1,1,0,0,0,0|1,1,0]=4 3259 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [1,1,0,0,0,0|1,1,0]=4 3260 B14R2.92 CSc1ccc2ncccc2c1N 62a_200010235790_200000210301 [1,1,0,0,0,0|1,1,0]=4 3261 B14R2.92 CSc1cnc2ccccc2c1Cl 62a_200000210301_100012352519 [1,1,0,0,0,0|1,1,0]=4 3262 B14R2.92 CSc1cnc2ccccc2c1N 62a_100009995562_200000210301 [1,1,0,0,0,0|1,1,0]=4 3263 B14R2.92 CSc1cnc2ccccc2c1N 62a_200000210301_100009995562 [1,1,0,0,0,0|1,1,0]=4 3264 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [1,1,0,0,0,0|1,1,0]=4 3265 B14R2.92 CSc1ncc2ccccc2c1N 62a_100009995564_200000210301 [1,1,0,0,0,0|1,1,0]=4 3266 B14R2.92 CSc1ncc2ccccc2c1N 62a_200000210301_100000087573 [1,1,0,0,0,0|1,1,0]=4 3267 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [1,1,0,0,0,0|0,0,0]=2 3268 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [1,1,0,0,0,0|0,0,0]=2 3269 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [1,1,0,0,0,0|0,1,0]=3 3270 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [1,1,0,0,0,0|0,1,0]=3 3271 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [1,1,0,0,0,0|1,1,0]=4 3272 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [1,1,0,0,0,0|1,1,0]=4 3273 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [1,1,0,0,0,0|1,1,0]=4 3274 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [1,1,0,0,0,0|1,0,1]=4 3275 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [1,1,0,0,0,0|1,0,0]=3 3276 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [1,1,0,0,0,0|1,0,0]=3 3277 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [1,1,0,0,0,0|1,0,0]=3 3278 B14R2.92 [13CH3]Nc1ccc2cnccc2c1Cl 34a_100009851981_200025704644 [1,1,0,0,0,0|2,0,0]=4 3279 B14R2.92 [13CH3]Nc1ccc2ncccc2c1Br 34a_200009995563_200025704644 [1,1,0,0,0,0|2,0,0]=4 3280 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [1,1,0,0,0,0|0,0,0]=2 3281 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [1,1,0,0,0,0|0,0,0]=2 3282 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [1,1,0,0,0,0|0,0,0]=2 3283 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [1,1,0,0,0,0|0,0,0]=2 3284 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [1,1,0,0,0,0|0,0,0]=2 3285 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [1,1,0,0,0,0|0,0,0]=2 3286 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [1,1,0,0,0,0|0,0,0]=2 3287 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [1,1,0,0,0,0|0,0,0]=2 3288 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [1,1,0,0,0,0|1,0,0]=3 3289 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [1,1,0,0,0,0|1,0,0]=3 3290 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3291 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [1,1,0,0,0,0|1,0,0]=3 3292 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [1,1,0,0,0,0|1,0,0]=3 3293 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [1,1,0,0,0,0|1,0,0]=3 3294 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [1,1,0,0,0,0|1,1,0]=4 3295 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [1,1,0,0,0,0|0,1,0]=3 3296 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [1,1,0,0,0,0|0,1,0]=3 3297 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [1,1,0,0,0,0|0,1,0]=3 3298 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [1,1,0,0,0,0|0,1,0]=3 3299 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [1,1,0,0,0,0|0,1,0]=3 3300 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [1,1,0,0,0,0|0,1,0]=3 3301 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_100010751467_200025704644 [1,1,0,0,0,0|1,1,0]=4 3302 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_200025704644_100010751467 [1,1,0,0,0,0|1,1,0]=4 3303 B14R2.92 [13CH3]Sc1ccc2cccnc2c1O 62a_200025704644_100009816563 [1,1,0,0,0,0|1,1,0]=4 3304 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_100010191621_200025704644 [1,1,0,0,0,0|1,1,0]=4 3305 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_200025704644_100010191621 [1,1,0,0,0,0|1,1,0]=4 3306 B14R2.92 [13CH3]Sc1ccc2ncccc2c1N 62a_200010235790_200025704644 [1,1,0,0,0,0|1,1,0]=4 3307 B14R2.92 [13CH3]Sc1cnc2ccccc2c1Cl 62a_200025704644_100012352519 [1,1,0,0,0,0|1,1,0]=4 3308 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_100009995562_200025704644 [1,1,0,0,0,0|1,1,0]=4 3309 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_200025704644_100009995562 [1,1,0,0,0,0|1,1,0]=4 3310 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [1,1,0,0,0,0|1,1,0]=4 3311 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_100009995564_200025704644 [1,1,0,0,0,0|1,1,0]=4 3312 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_200025704644_100000087573 [1,1,0,0,0,0|1,1,0]=4 3313 B14R2.134 C=Cc1ccc2ccc(cc2c1)N 271570a_100011290941_100010090036 [1,1,0,0,0,0|0,0,2]=4 3314 B14R2.134 C=Cc1ccc2ccc(cc2c1)O 271570a_100011290941_100009816537 [1,1,0,0,0,0|0,0,2]=4 3315 B14R2.134 CNc1ccc2ccc(cc2c1)Br 34a_100010090036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3316 B14R2.134 CNc1ccc2ccc(cc2c1)Br 7a_100010090036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3317 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [1,1,0,0,0,0|1,0,0]=3 3318 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [1,1,0,0,0,0|1,0,0]=3 3319 B14R2.134 CNc1ccc2ncc(cc2c1)Br 34a_100009888932_200000210301 [1,1,0,0,0,0|2,0,0]=4 3320 B14R2.134 COc1cc2cc(ccc2cn1)F 34a_200000101709_200000210301 [1,1,0,0,0,0|1,0,0]=3 3321 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [1,1,0,0,0,0|1,0,0]=3 3322 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [1,1,0,0,0,0|1,0,0]=3 3323 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [1,1,0,0,0,0|0,0,0]=2 3324 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [1,1,0,0,0,0|0,0,0]=2 3325 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [1,1,0,0,0,0|0,0,0]=2 3326 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [1,1,0,0,0,0|0,0,0]=2 3327 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [1,1,0,0,0,0|0,0,0]=2 3328 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [1,1,0,0,0,0|0,0,0]=2 3329 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [1,1,0,0,0,0|0,0,0]=2 3330 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [1,1,0,0,0,0|1,0,0]=3 3331 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [1,1,0,0,0,0|1,0,0]=3 3332 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [1,1,0,0,0,0|1,0,0]=3 3333 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [1,1,0,0,0,0|1,0,0]=3 3334 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [1,1,0,0,0,0|1,0,0]=3 3335 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [1,1,0,0,0,0|1,0,0]=3 3336 B14R2.134 COc1ccc2cnc(nc2c1)O 271570a_203496583355_100000059825 [1,1,0,0,0,0|2,0,0]=4 3337 B14R2.134 COc1ccc2ncc(cc2c1)Br 34a_100010137430_200000210301 [1,1,0,0,0,0|1,0,0]=3 3338 B14R2.134 COc1ccc2ncc(cc2c1)Br 7a_100010137430_200000210301 [1,1,0,0,0,0|1,0,0]=3 3339 B14R2.134 COc1ccc2ncc(cc2c1)Cl 34a_100009869629_200000210301 [1,1,0,0,0,0|1,0,0]=3 3340 B14R2.134 COc1ccc2ncc(cc2c1)Cl 7a_100009869629_200000210301 [1,1,0,0,0,0|1,0,0]=3 3341 B14R2.134 COc1ccc2ncc(cc2c1)F 34a_100009845357_200000210301 [1,1,0,0,0,0|1,0,0]=3 3342 B14R2.134 COc1ccc2ncc(cc2c1)F 7a_100009845357_200000210301 [1,1,0,0,0,0|1,0,0]=3 3343 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [1,1,0,0,0,0|1,0,0]=3 3344 B14R2.134 COc1ccc2ncc(nc2c1)Cl 34a_200020640061_200000210301 [1,1,0,0,0,0|2,0,0]=4 3345 B14R2.134 COc1ccc2ncc(nc2c1)O 271570a_203496583355_100009882714 [1,1,0,0,0,0|2,0,0]=4 3346 B14R2.134 COc1cnc2ccc(cc2c1)Br 34a_100000703654_200000210301 [1,1,0,0,0,0|1,0,0]=3 3347 B14R2.134 COc1cnc2ccc(cc2c1)Br 7a_100000703654_200000210301 [1,1,0,0,0,0|1,0,0]=3 3348 B14R2.134 COc1cnc2ccc(cc2n1)O 271570a_203496583355_100010293655 [1,1,0,0,0,0|2,0,0]=4 3349 B14R2.134 CSc1cc2cc(ccc2cn1)F 62a_100009828686_200000210301 [1,1,0,0,0,0|1,1,0]=4 3350 B14R2.134 CSc1cc2cc(ccc2cn1)F 62a_200000210301_100009828686 [1,1,0,0,0,0|1,1,0]=4 3351 B14R2.134 CSc1ccc2cc[n+](cc2c1)[O-] 62a_200000210301_100009816120 [1,1,0,0,0,0|1,1,0]=4 3352 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [1,1,0,0,0,0|1,1,0]=4 3353 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_100010090036_200000210301 [1,1,0,0,0,0|0,1,0]=3 3354 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_200000210301_100010090036 [1,1,0,0,0,0|0,1,0]=3 3355 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [1,1,0,0,0,0|0,1,0]=3 3356 B14R2.134 CSc1ccc2ccc(cc2n1)O 62a_200000210301_100000079174 [1,1,0,0,0,0|1,1,0]=4 3357 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_100009817087_200000210301 [1,1,0,0,0,0|1,1,0]=4 3358 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_200000210301_100009817087 [1,1,0,0,0,0|1,1,0]=4 3359 B14R2.134 CSc1ccc2ccc(nc2c1)N 62a_100010187616_200000210301 [1,1,0,0,0,0|1,1,0]=4 3360 B14R2.134 CSc1ccc2ccc(nc2c1)O 62a_200000210301_100000690401 [1,1,0,0,0,0|1,1,0]=4 3361 B14R2.134 CSc1ccc2cnc(cc2c1)F 62a_100010291885_200000210301 [1,1,0,0,0,0|1,1,0]=4 3362 B14R2.134 CSc1ccc2cnc(cc2c1)F 62a_200000210301_100010291885 [1,1,0,0,0,0|1,1,0]=4 3363 B14R2.134 CSc1ccc2cnc(cc2c1)N 62a_100009817123_200000210301 [1,1,0,0,0,0|1,1,0]=4 3364 B14R2.134 CSc1ccc2cnc(cc2c1)N 62a_200000210301_100009817123 [1,1,0,0,0,0|1,1,0]=4 3365 B14R2.134 CSc1ccc2cnc(cc2c1)O 62a_200000210301_100009817130 [1,1,0,0,0,0|1,1,0]=4 3366 B14R2.134 CSc1ccc2ncc(cc2c1)Br 62a_200000210301_200010254249 [1,1,0,0,0,0|1,1,0]=4 3367 B14R2.134 CSc1ccc2ncc(cc2c1)Br 62a_200010254249_200000210301 [1,1,0,0,0,0|1,1,0]=4 3368 B14R2.134 CSc1ccc2ncc(cc2c1)C 62a_200000210301_100009817055 [1,1,0,0,0,0|1,1,0]=4 3369 B14R2.134 CSc1ccc2ncc(cc2c1)O 62a_200000210301_100000703654 [1,1,0,0,0,0|1,1,0]=4 3370 B14R2.134 CSc1cnc2ccc(cc2c1)Br 62a_100010740133_200000210301 [1,1,0,0,0,0|1,1,0]=4 3371 B14R2.134 CSc1cnc2ccc(cc2c1)Br 62a_200000210301_100010740133 [1,1,0,0,0,0|1,1,0]=4 3372 B14R2.134 CSc1cnc2ccc(cc2c1)C 62a_200000210301_100015841224 [1,1,0,0,0,0|1,1,0]=4 3373 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_200000210301 [1,1,0,0,0,0|1,1,0]=4 3374 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_200000210301_100015929906 [1,1,0,0,0,0|1,1,0]=4 3375 B14R2.134 CSc1cnc2ccc(cc2c1)N 62a_100009888932_200000210301 [1,1,0,0,0,0|1,1,0]=4 3376 B14R2.134 CSc1cnc2ccc(cc2c1)N 62a_200000210301_100009888932 [1,1,0,0,0,0|1,1,0]=4 3377 B14R2.134 CSc1cnc2ccc(cc2c1)O 62a_200000210301_100010137430 [1,1,0,0,0,0|1,1,0]=4 3378 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [1,1,0,0,0,0|0,0,0]=2 3379 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [1,1,0,0,0,0|0,0,0]=2 3380 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [1,1,0,0,0,0|1,0,0]=3 3381 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [1,1,0,0,0,0|1,0,0]=3 3382 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_100009817087_200025704644 [1,1,0,0,0,0|1,1,0]=4 3383 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_200025704644_100009817087 [1,1,0,0,0,0|1,1,0]=4 3384 B14R2.134 Cc1ccc2ncc(cc2c1)S[13CH3] 62a_200025704644_100015841224 [1,1,0,0,0,0|1,1,0]=4 3385 B14R2.134 Cc1cnc2ccc(cc2c1)S[13CH3] 62a_200025704644_100009817055 [1,1,0,0,0,0|1,1,0]=4 3386 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [1,1,0,0,0,0|1,0,1]=4 3387 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 34a_100010090036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3388 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 7a_100010090036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3389 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [1,1,0,0,0,0|1,0,0]=3 3390 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [1,1,0,0,0,0|1,0,0]=3 3391 B14R2.134 [13CH3]Nc1ccc2ncc(cc2c1)Br 34a_100009888932_200025704644 [1,1,0,0,0,0|2,0,0]=4 3392 B14R2.134 [13CH3]Oc1cc2cc(ccc2cn1)F 34a_200000101709_200025704644 [1,1,0,0,0,0|1,0,0]=3 3393 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [1,1,0,0,0,0|1,0,0]=3 3394 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [1,1,0,0,0,0|1,0,0]=3 3395 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [1,1,0,0,0,0|0,0,0]=2 3396 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [1,1,0,0,0,0|0,0,0]=2 3397 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [1,1,0,0,0,0|0,0,0]=2 3398 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [1,1,0,0,0,0|0,0,0]=2 3399 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [1,1,0,0,0,0|1,0,0]=3 3400 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [1,1,0,0,0,0|1,0,0]=3 3401 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 34a_100010137430_200025704644 [1,1,0,0,0,0|1,0,0]=3 3402 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 7a_100010137430_200025704644 [1,1,0,0,0,0|1,0,0]=3 3403 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_200025704644 [1,1,0,0,0,0|1,0,0]=3 3404 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_200025704644 [1,1,0,0,0,0|1,0,0]=3 3405 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 34a_100009845357_200025704644 [1,1,0,0,0,0|1,0,0]=3 3406 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 7a_100009845357_200025704644 [1,1,0,0,0,0|1,0,0]=3 3407 B14R2.134 [13CH3]Oc1ccc2ncc(nc2c1)Cl 34a_200020640061_200025704644 [1,1,0,0,0,0|2,0,0]=4 3408 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 34a_100000703654_200025704644 [1,1,0,0,0,0|1,0,0]=3 3409 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 7a_100000703654_200025704644 [1,1,0,0,0,0|1,0,0]=3 3410 B14R2.134 [13CH3]Sc1cc2cc(ccc2cn1)F 62a_100009828686_200025704644 [1,1,0,0,0,0|1,1,0]=4 3411 B14R2.134 [13CH3]Sc1cc2cc(ccc2cn1)F 62a_200025704644_100009828686 [1,1,0,0,0,0|1,1,0]=4 3412 B14R2.134 [13CH3]Sc1ccc2cc[n+](cc2c1)[O-] 62a_200025704644_100009816120 [1,1,0,0,0,0|1,1,0]=4 3413 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [1,1,0,0,0,0|1,1,0]=4 3414 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_100010090036_200025704644 [1,1,0,0,0,0|0,1,0]=3 3415 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_200025704644_100010090036 [1,1,0,0,0,0|0,1,0]=3 3416 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [1,1,0,0,0,0|0,1,0]=3 3417 B14R2.134 [13CH3]Sc1ccc2ccc(cc2n1)O 62a_200025704644_100000079174 [1,1,0,0,0,0|1,1,0]=4 3418 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)N 62a_100010187616_200025704644 [1,1,0,0,0,0|1,1,0]=4 3419 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)O 62a_200025704644_100000690401 [1,1,0,0,0,0|1,1,0]=4 3420 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)F 62a_100010291885_200025704644 [1,1,0,0,0,0|1,1,0]=4 3421 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)F 62a_200025704644_100010291885 [1,1,0,0,0,0|1,1,0]=4 3422 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)N 62a_100009817123_200025704644 [1,1,0,0,0,0|1,1,0]=4 3423 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)N 62a_200025704644_100009817123 [1,1,0,0,0,0|1,1,0]=4 3424 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)O 62a_200025704644_100009817130 [1,1,0,0,0,0|1,1,0]=4 3425 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)Br 62a_200010254249_200025704644 [1,1,0,0,0,0|1,1,0]=4 3426 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)Br 62a_200025704644_200010254249 [1,1,0,0,0,0|1,1,0]=4 3427 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)O 62a_200025704644_100000703654 [1,1,0,0,0,0|1,1,0]=4 3428 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Br 62a_100010740133_200025704644 [1,1,0,0,0,0|1,1,0]=4 3429 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Br 62a_200025704644_100010740133 [1,1,0,0,0,0|1,1,0]=4 3430 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_100015929906_200025704644 [1,1,0,0,0,0|1,1,0]=4 3431 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_200025704644_100015929906 [1,1,0,0,0,0|1,1,0]=4 3432 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)N 62a_100009888932_200025704644 [1,1,0,0,0,0|1,1,0]=4 3433 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)N 62a_200025704644_100009888932 [1,1,0,0,0,0|1,1,0]=4 3434 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)O 62a_200025704644_100010137430 [1,1,0,0,0,0|1,1,0]=4 3435 B14R2.142 C=Cc1ccc2cccc(c2c1)C 271570a_100011290941_100010089936 [1,1,0,0,0,0|0,0,2]=4 3436 B14R2.142 C=Cc1ccc2cccc(c2c1)N 271570a_100011290941_100010090012 [1,1,0,0,0,0|0,0,2]=4 3437 B14R2.142 C=Cc1ccc2cccc(c2c1)O 271570a_100011290941_100010089991 [1,1,0,0,0,0|0,0,2]=4 3438 B14R2.142 CNc1ccc2cccc(c2c1)O 34a_100132313934_200000210301 [1,1,0,0,0,0|1,0,0]=3 3439 B14R2.142 CNc1ccc2cccc(c2n1)C 27a_100102657272_100012002297 [1,1,0,0,0,0|2,0,0]=4 3440 B14R2.142 CNc1ccc2cccc(c2n1)O 27a_100102657272_100010153751 [1,1,0,0,0,0|2,0,0]=4 3441 B14R2.142 CNc1ccc2nccc(c2c1)Br 34a_100010074812_200000210301 [1,1,0,0,0,0|2,0,0]=4 3442 B14R2.142 CNc1ccc2nccc(c2c1)Cl 34a_100009879071_200000210301 [1,1,0,0,0,0|2,0,0]=4 3443 B14R2.142 CNc1ccc2occc(=O)c2c1 34a_100000088200_200000210301 [1,1,0,0,0,0|2,0,0]=4 3444 B14R2.142 COc1cc2c(cccc2cn1)O 271570a_203496583355_100010126886 [1,1,0,0,0,0|1,0,0]=3 3445 B14R2.142 COc1ccc2cccc(c2c1)Br 34a_100010169565_200000210301 [1,1,0,0,0,0|0,0,0]=2 3446 B14R2.142 COc1ccc2cccc(c2c1)Br 7a_100010169565_200000210301 [1,1,0,0,0,0|0,0,0]=2 3447 B14R2.142 COc1ccc2cccc(c2c1)C 34a_200000091600_200000210301 [1,1,0,0,0,0|0,0,0]=2 3448 B14R2.142 COc1ccc2cccc(c2c1)C 7a_200000091600_200000210301 [1,1,0,0,0,0|0,0,0]=2 3449 B14R2.142 COc1ccc2cccc(c2c1)F 34a_100000091619_200000210301 [1,1,0,0,0,0|0,0,0]=2 3450 B14R2.142 COc1ccc2cccc(c2c1)F 7a_100000091619_200000210301 [1,1,0,0,0,0|0,0,0]=2 3451 B14R2.142 COc1ccc2cccc(c2c1)N 34a_100000034012_200000210301 [1,1,0,0,0,0|0,0,0]=2 3452 B14R2.142 COc1ccc2cccc(c2c1)N 7a_100000034012_200000210301 [1,1,0,0,0,0|0,0,0]=2 3453 B14R2.142 COc1ccc2cccc(c2c1)O 271570a_203496583355_100010178974 [1,1,0,0,0,0|0,0,0]=2 3454 B14R2.142 COc1ccc2ccnc(c2c1)Cl 34a_200009844553_200000210301 [1,1,0,0,0,0|1,0,0]=3 3455 B14R2.142 COc1ccc2ccnc(c2c1)Cl 7a_200009844553_200000210301 [1,1,0,0,0,0|1,0,0]=3 3456 B14R2.142 COc1ccc2ccnc(c2c1)O 271570a_203496583355_100012348807 [1,1,0,0,0,0|1,0,0]=3 3457 B14R2.142 COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_200000210301 [1,1,0,0,0,0|2,0,0]=4 3458 B14R2.142 COc1ccc2nccc(c2c1)Br 34a_100010204251_200000210301 [1,1,0,0,0,0|1,0,0]=3 3459 B14R2.142 COc1ccc2nccc(c2c1)Br 7a_100010204251_200000210301 [1,1,0,0,0,0|1,0,0]=3 3460 B14R2.142 COc1ccc2nccc(c2c1)Cl 34a_100000075933_200000210301 [1,1,0,0,0,0|1,0,0]=3 3461 B14R2.142 COc1ccc2nccc(c2c1)Cl 7a_100000075933_200000210301 [1,1,0,0,0,0|1,0,0]=3 3462 B14R2.142 COc1ccc2nccc(c2c1)O 271570a_203496583355_100011310462 [1,1,0,0,0,0|1,0,0]=3 3463 B14R2.142 COc1ccc2nccc(c2n1)O 271570a_203496583355_100000090520 [1,1,0,0,0,0|2,0,0]=4 3464 B14R2.142 COc1ccc2ncnc(c2c1)O 271570a_203496583355_100011804145 [1,1,0,0,0,0|2,0,0]=4 3465 B14R2.142 CSc1ccc2[nH]ccc(=O)c2c1 62a_200000210301_100000746092 [1,1,0,0,0,0|1,1,0]=4 3466 B14R2.142 CSc1ccc2cccc(c2c1)C 62a_200000210301_100010089936 [1,1,0,0,0,0|0,1,0]=3 3467 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_100010090012_200000210301 [1,1,0,0,0,0|0,1,0]=3 3468 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_200000210301_100010090012 [1,1,0,0,0,0|0,1,0]=3 3469 B14R2.142 CSc1ccc2cccc(c2c1)O 62a_200000210301_100010089991 [1,1,0,0,0,0|0,1,0]=3 3470 B14R2.142 CSc1ccc2cccc(c2n1)C 62a_200000210301_100012002297 [1,1,0,0,0,0|1,1,0]=4 3471 B14R2.142 CSc1ccc2cccc(c2n1)F 62a_200000210301_100012017632 [1,1,0,0,0,0|1,1,0]=4 3472 B14R2.142 CSc1ccc2cccc(c2n1)O 62a_200000210301_100000013812 [1,1,0,0,0,0|1,1,0]=4 3473 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200000210301_200010739692 [1,1,0,0,0,0|1,1,0]=4 3474 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200010739692_200000210301 [1,1,0,0,0,0|1,1,0]=4 3475 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_100012352255_200000210301 [1,1,0,0,0,0|1,1,0]=4 3476 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_200000210301_100012352255 [1,1,0,0,0,0|1,1,0]=4 3477 B14R2.142 CSc1ccc2ccnc(c2c1)O 62a_200000210301_100000010956 [1,1,0,0,0,0|1,1,0]=4 3478 B14R2.142 CSc1ccc2cncc(c2c1)O 62a_200000210301_100010136424 [1,1,0,0,0,0|1,1,0]=4 3479 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_100009817033_200000210301 [1,1,0,0,0,0|1,1,0]=4 3480 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_200000210301_100009817033 [1,1,0,0,0,0|1,1,0]=4 3481 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_100011310491_200000210301 [1,1,0,0,0,0|1,1,0]=4 3482 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_200000210301_100011310491 [1,1,0,0,0,0|1,1,0]=4 3483 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_100011620571_200000210301 [1,1,0,0,0,0|1,1,0]=4 3484 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_200000210301_100011620571 [1,1,0,0,0,0|1,1,0]=4 3485 B14R2.142 CSc1ccc2occc(=O)c2c1 62a_200000210301_100009813387 [1,1,0,0,0,0|1,1,0]=4 3486 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_100010264086_200000210301 [1,1,0,0,0,0|1,1,0]=4 3487 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_200000210301_100010264086 [1,1,0,0,0,0|1,1,0]=4 3488 B14R2.142 CSc1cnc2cccc(c2c1)O 62a_200000210301_200010153752 [1,1,0,0,0,0|1,1,0]=4 3489 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 34a_200000091600_200025704644 [1,1,0,0,0,0|0,0,0]=2 3490 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 7a_200000091600_200025704644 [1,1,0,0,0,0|0,0,0]=2 3491 B14R2.142 Cc1cccc2c1cc(cc2)S[13CH3] 62a_200025704644_100010089936 [1,1,0,0,0,0|0,1,0]=3 3492 B14R2.142 Cc1cccc2c1nc(cc2)S[13CH3] 62a_200025704644_100012002297 [1,1,0,0,0,0|1,1,0]=4 3493 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_100009817033_200025704644 [1,1,0,0,0,0|1,1,0]=4 3494 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_100009817033 [1,1,0,0,0,0|1,1,0]=4 3495 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200010739692_200025704644 [1,1,0,0,0,0|1,1,0]=4 3496 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200025704644_200010739692 [1,1,0,0,0,0|1,1,0]=4 3497 B14R2.142 [13CH3]Nc1ccc2cccc(c2c1)O 34a_100132313934_200025704644 [1,1,0,0,0,0|1,0,0]=3 3498 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Br 34a_100010074812_200025704644 [1,1,0,0,0,0|2,0,0]=4 3499 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Cl 34a_100009879071_200025704644 [1,1,0,0,0,0|2,0,0]=4 3500 B14R2.142 [13CH3]Nc1ccc2occc(=O)c2c1 34a_100000088200_200025704644 [1,1,0,0,0,0|2,0,0]=4 3501 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 34a_100010169565_200025704644 [1,1,0,0,0,0|0,0,0]=2 3502 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 7a_100010169565_200025704644 [1,1,0,0,0,0|0,0,0]=2 3503 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 34a_100000091619_200025704644 [1,1,0,0,0,0|0,0,0]=2 3504 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 7a_100000091619_200025704644 [1,1,0,0,0,0|0,0,0]=2 3505 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 34a_100000034012_200025704644 [1,1,0,0,0,0|0,0,0]=2 3506 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 7a_100000034012_200025704644 [1,1,0,0,0,0|0,0,0]=2 3507 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_200025704644 [1,1,0,0,0,0|1,0,0]=3 3508 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_200025704644 [1,1,0,0,0,0|1,0,0]=3 3509 B14R2.142 [13CH3]Oc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_200025704644 [1,1,0,0,0,0|2,0,0]=4 3510 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 34a_100010204251_200025704644 [1,1,0,0,0,0|1,0,0]=3 3511 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 7a_100010204251_200025704644 [1,1,0,0,0,0|1,0,0]=3 3512 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 34a_100000075933_200025704644 [1,1,0,0,0,0|1,0,0]=3 3513 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 7a_100000075933_200025704644 [1,1,0,0,0,0|1,0,0]=3 3514 B14R2.142 [13CH3]Sc1ccc2[nH]ccc(=O)c2c1 62a_200025704644_100000746092 [1,1,0,0,0,0|1,1,0]=4 3515 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_100010090012_200025704644 [1,1,0,0,0,0|0,1,0]=3 3516 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_200025704644_100010090012 [1,1,0,0,0,0|0,1,0]=3 3517 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)O 62a_200025704644_100010089991 [1,1,0,0,0,0|0,1,0]=3 3518 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)F 62a_200025704644_100012017632 [1,1,0,0,0,0|1,1,0]=4 3519 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)O 62a_200025704644_100000013812 [1,1,0,0,0,0|1,1,0]=4 3520 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_100012352255_200025704644 [1,1,0,0,0,0|1,1,0]=4 3521 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_200025704644_100012352255 [1,1,0,0,0,0|1,1,0]=4 3522 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)O 62a_200025704644_100000010956 [1,1,0,0,0,0|1,1,0]=4 3523 B14R2.142 [13CH3]Sc1ccc2cncc(c2c1)O 62a_200025704644_100010136424 [1,1,0,0,0,0|1,1,0]=4 3524 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_100011310491_200025704644 [1,1,0,0,0,0|1,1,0]=4 3525 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_200025704644_100011310491 [1,1,0,0,0,0|1,1,0]=4 3526 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_100011620571_200025704644 [1,1,0,0,0,0|1,1,0]=4 3527 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_200025704644_100011620571 [1,1,0,0,0,0|1,1,0]=4 3528 B14R2.142 [13CH3]Sc1ccc2occc(=O)c2c1 62a_200025704644_100009813387 [1,1,0,0,0,0|1,1,0]=4 3529 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_100010264086_200025704644 [1,1,0,0,0,0|1,1,0]=4 3530 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_200025704644_100010264086 [1,1,0,0,0,0|1,1,0]=4 3531 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)O 62a_200025704644_200010153752 [1,1,0,0,0,0|1,1,0]=4 3532 B14R2.781 C=C(C)c1cc2ccccc2cn1 271570a_100000694244_100000047361 [1,1,0,0,0,0|1,0,1]=4 3533 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [1,1,0,0,0,0|0,0,1]=3 3534 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [1,1,0,0,0,0|1,0,1]=4 3535 B14R2.781 C=C(C)c1ccc2cccnc2c1 271570a_100000694244_100009816655 [1,1,0,0,0,0|1,0,1]=4 3536 B14R2.781 C=C(C)c1ccc2ccncc2c1 271570a_100000694244_100000686496 [1,1,0,0,0,0|1,0,1]=4 3537 B14R2.781 C=C(C)c1ccc2cnccc2c1 271570a_100000694244_100009816743 [1,1,0,0,0,0|1,0,1]=4 3538 B14R2.781 C=C(C)c1ccc2ncccc2c1 271570a_100000694244_100000754243 [1,1,0,0,0,0|1,0,1]=4 3539 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [1,1,0,0,0,0|1,0,1]=4 3540 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [1,1,0,0,0,0|0,0,1]=3 3541 B14R2.781 CC(=O)c1ccc2cccnc2c1 1458a_100011933907_200000210301 [1,1,0,0,0,0|1,0,1]=4 3542 B14R2.781 CC(=O)c1ccc2ccncc2c1 1458a_100000070124_200000210301 [1,1,0,0,0,0|1,0,1]=4 3543 B14R2.781 CC(=O)c1ccc2cnccc2c1 1458a_100011935275_200000210301 [1,1,0,0,0,0|1,0,1]=4 3544 B14R2.781 CC(=O)c1ccc2ncccc2c1 1458a_100011216044_200000210301 [1,1,0,0,0,0|1,0,1]=4 3545 B14R2.781 CN(C)c1ccc2ccccc2c1 2230a_100000181211_200000210301 [1,1,0,0,0,0|1,0,0]=3 3546 B14R2.781 CN(C)c1ccc2ccccc2c1 269982a_100000181211_200000210301 [1,1,0,0,0,0|1,0,0]=3 3547 B14R2.781 CN(C)c1ccc2ccccc2c1 34a_100000181211_200000210301 [1,1,0,0,0,0|1,0,0]=3 3548 B14R2.781 CN(C)c1ccc2ccccc2n1 27a_100102631434_100011291633 [1,1,0,0,0,0|2,0,0]=4 3549 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 2230a_100000181211_200025704644 [1,1,0,0,0,0|1,0,0]=3 3550 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 269982a_100000181211_200025704644 [1,1,0,0,0,0|1,0,0]=3 3551 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 34a_100000181211_200025704644 [1,1,0,0,0,0|1,0,0]=3 3552 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [1,1,0,0,0,0|0,0,1]=3 3553 B14R2.781 [13CH3]C(=O)c1ccc2cccnc2c1 1458a_100011933907_200025704644 [1,1,0,0,0,0|1,0,1]=4 3554 B14R2.781 [13CH3]C(=O)c1ccc2ccncc2c1 1458a_100000070124_200025704644 [1,1,0,0,0,0|1,0,1]=4 3555 B14R2.781 [13CH3]C(=O)c1ccc2cnccc2c1 1458a_100011935275_200025704644 [1,1,0,0,0,0|1,0,1]=4 3556 B14R2.781 [13CH3]C(=O)c1ccc2ncccc2c1 1458a_100011216044_200025704644 [1,1,0,0,0,0|1,0,1]=4 3557 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [1,1,0,0,0,0|0,0,2]=4 3558 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [1,1,0,0,0,0|0,0,2]=4 3559 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [1,1,0,0,0,0|1,0,0]=3 3560 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [1,1,0,0,0,0|1,0,0]=3 3561 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [1,1,0,0,0,0|2,0,0]=4 3562 B14R2.1019 CNc1cc(c2cnccc2c1)F 27a_100102657272_100011068762 [1,1,0,0,0,0|2,0,0]=4 3563 B14R2.1019 CNc1cc(c2ncccc2c1)Cl 34a_200009830422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3564 B14R2.1019 COc1cc(=O)n2ccccc2n1 34a_100000751361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3565 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [1,1,0,0,0,0|0,0,0]=2 3566 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [1,1,0,0,0,0|0,0,0]=2 3567 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [1,1,0,0,0,0|0,0,0]=2 3568 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [1,1,0,0,0,0|1,0,0]=3 3569 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [1,1,0,0,0,0|1,0,0]=3 3570 B14R2.1019 COc1cc(c2cnccc2c1)Br 34a_100011009069_200000210301 [1,1,0,0,0,0|1,0,0]=3 3571 B14R2.1019 COc1cc(c2cnccc2c1)Br 7a_100011009069_200000210301 [1,1,0,0,0,0|1,0,0]=3 3572 B14R2.1019 COc1cc(c2ncccc2c1)Cl 34a_100000097192_200000210301 [1,1,0,0,0,0|1,0,0]=3 3573 B14R2.1019 COc1cc(c2ncccc2c1)Cl 7a_100000097192_200000210301 [1,1,0,0,0,0|1,0,0]=3 3574 B14R2.1019 COc1cc(c2ncccc2c1)F 34a_100009888031_200000210301 [1,1,0,0,0,0|1,0,0]=3 3575 B14R2.1019 COc1cc(c2ncccc2c1)F 7a_100009888031_200000210301 [1,1,0,0,0,0|1,0,0]=3 3576 B14R2.1019 COc1cc(c2ncccc2c1)N 34a_100000083691_200000210301 [1,1,0,0,0,0|1,0,0]=3 3577 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [1,1,0,0,0,0|1,0,0]=3 3578 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [1,1,0,0,0,0|1,1,0]=4 3579 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [1,1,0,0,0,0|0,1,0]=3 3580 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [1,1,0,0,0,0|0,1,0]=3 3581 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [1,1,0,0,0,0|0,1,0]=3 3582 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [1,1,0,0,0,0|1,1,0]=4 3583 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [1,1,0,0,0,0|1,1,0]=4 3584 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [1,1,0,0,0,0|1,1,0]=4 3585 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200000210301_200010263263 [1,1,0,0,0,0|1,1,0]=4 3586 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200010263263_200000210301 [1,1,0,0,0,0|1,1,0]=4 3587 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_100011068762_200000210301 [1,1,0,0,0,0|1,1,0]=4 3588 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_200000210301_100011068762 [1,1,0,0,0,0|1,1,0]=4 3589 B14R2.1019 CSc1cc(c2ncccc2c1)C 62a_200000210301_100010130319 [1,1,0,0,0,0|1,1,0]=4 3590 B14R2.1019 CSc1cc(c2ncccc2c1)Cl 62a_200000210301_200010369337 [1,1,0,0,0,0|1,1,0]=4 3591 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_100010234705_200000210301 [1,1,0,0,0,0|1,1,0]=4 3592 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_200000210301_100010234705 [1,1,0,0,0,0|1,1,0]=4 3593 B14R2.1019 CSc1cc(c2ncccc2c1)N 62a_200000210301_100009814519 [1,1,0,0,0,0|1,1,0]=4 3594 B14R2.1019 CSc1cc(c2ncccc2c1)O 62a_200000210301_100010248853 [1,1,0,0,0,0|1,1,0]=4 3595 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [1,1,0,0,0,0|1,1,0]=4 3596 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_100009957331_200000210301 [1,1,0,0,0,0|1,1,0]=4 3597 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_200000210301_100009957331 [1,1,0,0,0,0|1,1,0]=4 3598 B14R2.1019 Cc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010130319 [1,1,0,0,0,0|1,1,0]=4 3599 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [1,1,0,0,0,0|1,1,0]=4 3600 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [1,1,0,0,0,0|1,1,0]=4 3601 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [1,1,0,0,0,0|1,0,0]=3 3602 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [1,1,0,0,0,0|1,0,0]=3 3603 B14R2.1019 [13CH3]Nc1cc(c2ncccc2c1)Cl 34a_200009830422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3604 B14R2.1019 [13CH3]Oc1cc(=O)n2ccccc2n1 34a_100000751361_200025704644 [1,1,0,0,0,0|2,0,0]=4 3605 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [1,1,0,0,0,0|0,0,0]=2 3606 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [1,1,0,0,0,0|0,0,0]=2 3607 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 34a_100011009069_200025704644 [1,1,0,0,0,0|1,0,0]=3 3608 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 7a_100011009069_200025704644 [1,1,0,0,0,0|1,0,0]=3 3609 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 34a_100000097192_200025704644 [1,1,0,0,0,0|1,0,0]=3 3610 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 7a_100000097192_200025704644 [1,1,0,0,0,0|1,0,0]=3 3611 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 34a_100009888031_200025704644 [1,1,0,0,0,0|1,0,0]=3 3612 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 7a_100009888031_200025704644 [1,1,0,0,0,0|1,0,0]=3 3613 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)N 34a_100000083691_200025704644 [1,1,0,0,0,0|1,0,0]=3 3614 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [1,1,0,0,0,0|1,1,0]=4 3615 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [1,1,0,0,0,0|0,1,0]=3 3616 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [1,1,0,0,0,0|0,1,0]=3 3617 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [1,1,0,0,0,0|0,1,0]=3 3618 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [1,1,0,0,0,0|1,1,0]=4 3619 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200010263263_200025704644 [1,1,0,0,0,0|1,1,0]=4 3620 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200025704644_200010263263 [1,1,0,0,0,0|1,1,0]=4 3621 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_100011068762_200025704644 [1,1,0,0,0,0|1,1,0]=4 3622 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_200025704644_100011068762 [1,1,0,0,0,0|1,1,0]=4 3623 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)Cl 62a_200025704644_200010369337 [1,1,0,0,0,0|1,1,0]=4 3624 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_100010234705_200025704644 [1,1,0,0,0,0|1,1,0]=4 3625 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_200025704644_100010234705 [1,1,0,0,0,0|1,1,0]=4 3626 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)N 62a_200025704644_100009814519 [1,1,0,0,0,0|1,1,0]=4 3627 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)O 62a_200025704644_100010248853 [1,1,0,0,0,0|1,1,0]=4 3628 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [1,1,0,0,0,0|1,1,0]=4 3629 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_100009957331_200025704644 [1,1,0,0,0,0|1,1,0]=4 3630 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_200025704644_100009957331 [1,1,0,0,0,0|1,1,0]=4 3631 B14R2.1128 C=Cc1cc2ccccc2cc1Br 271570a_100011290941_200010169544 [1,1,0,0,0,0|0,0,2]=4 3632 B14R2.1128 C=Cc1cc2ccccc2cc1Cl 271570a_100011290941_100010152806 [1,1,0,0,0,0|0,0,2]=4 3633 B14R2.1128 C=Cc1cc2ccccc2cc1N 271570a_100011290941_100009991566 [1,1,0,0,0,0|0,0,2]=4 3634 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [1,1,0,0,0,0|0,0,2]=4 3635 B14R2.1128 CCc1cc2ccccc2nc1O 271570a_203496583355_100011829826 [1,1,0,0,0,0|1,0,0]=3 3636 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [1,1,0,0,0,0|1,0,0]=3 3637 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [1,1,0,0,0,0|1,0,0]=3 3638 B14R2.1128 CNc1nc2ccccc2cc1C 27a_100102657272_100000751756 [1,1,0,0,0,0|2,0,0]=4 3639 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [1,1,0,0,0,0|0,0,0]=2 3640 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [1,1,0,0,0,0|0,0,0]=2 3641 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [1,1,0,0,0,0|0,0,0]=2 3642 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [1,1,0,0,0,0|0,0,0]=2 3643 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [1,1,0,0,0,0|0,0,0]=2 3644 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [1,1,0,0,0,0|0,0,0]=2 3645 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [1,1,0,0,0,0|0,0,0]=2 3646 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [1,1,0,0,0,0|1,0,0]=3 3647 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [1,1,0,0,0,0|1,0,0]=3 3648 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [1,1,0,0,0,0|1,0,0]=3 3649 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [1,1,0,0,0,0|1,0,0]=3 3650 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [1,1,0,0,0,0|1,0,0]=3 3651 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [1,1,0,0,0,0|1,0,0]=3 3652 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [1,1,0,0,0,0|1,0,0]=3 3653 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [1,1,0,0,0,0|1,0,0]=3 3654 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [1,1,0,0,0,0|1,0,0]=3 3655 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [1,1,0,0,0,0|1,0,0]=3 3656 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [1,1,0,0,0,0|1,0,0]=3 3657 B14R2.1128 COc1nc2ccccc2nc1O 271570a_203496583355_100000085300 [1,1,0,0,0,0|2,0,0]=4 3658 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [1,1,0,0,0,0|0,1,0]=3 3659 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [1,1,0,0,0,0|0,1,0]=3 3660 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [1,1,0,0,0,0|0,1,0]=3 3661 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [1,1,0,0,0,0|0,1,0]=3 3662 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [1,1,0,0,0,0|0,1,0]=3 3663 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [1,1,0,0,0,0|0,1,0]=3 3664 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [1,1,0,0,0,0|0,1,0]=3 3665 B14R2.1128 CSc1cc2ccccc2nc1Cl 62a_200000210301_100010220712 [1,1,0,0,0,0|1,1,0]=4 3666 B14R2.1128 CSc1cc2ccccc2nc1F 62a_100011158909_200000210301 [1,1,0,0,0,0|1,1,0]=4 3667 B14R2.1128 CSc1cc2ccccc2nc1F 62a_200000210301_100011158909 [1,1,0,0,0,0|1,1,0]=4 3668 B14R2.1128 CSc1cc2ccccc2nc1N 62a_100010135404_200000210301 [1,1,0,0,0,0|1,1,0]=4 3669 B14R2.1128 CSc1cc2ccccc2nc1O 62a_200000210301_200009820883 [1,1,0,0,0,0|1,1,0]=4 3670 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [1,1,0,0,0,0|1,1,0]=4 3671 B14R2.1128 CSc1cc2cccnc2cc1C 62a_100010137429_200000210301 [1,1,0,0,0,0|1,1,0]=4 3672 B14R2.1128 CSc1cc2cccnc2cc1C 62a_200000210301_100010137429 [1,1,0,0,0,0|1,1,0]=4 3673 B14R2.1128 CSc1cc2cccnc2cc1F 62a_100009854028_200000210301 [1,1,0,0,0,0|1,1,0]=4 3674 B14R2.1128 CSc1cc2cccnc2cc1F 62a_200000210301_100009854028 [1,1,0,0,0,0|1,1,0]=4 3675 B14R2.1128 CSc1cc2ccncc2cc1F 62a_100011105921_200000210301 [1,1,0,0,0,0|1,1,0]=4 3676 B14R2.1128 CSc1cc2ccncc2cc1F 62a_200000210301_100011105921 [1,1,0,0,0,0|1,1,0]=4 3677 B14R2.1128 CSc1cc2cnccc2cc1F 62a_100010244713_200000210301 [1,1,0,0,0,0|1,1,0]=4 3678 B14R2.1128 CSc1cc2cnccc2cc1F 62a_200000210301_100010244713 [1,1,0,0,0,0|1,1,0]=4 3679 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [1,1,0,0,0,0|1,1,0]=4 3680 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_100010072790_200000210301 [1,1,0,0,0,0|1,1,0]=4 3681 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [1,1,0,0,0,0|1,1,0]=4 3682 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [1,1,0,0,0,0|1,1,0]=4 3683 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [1,1,0,0,0,0|1,1,0]=4 3684 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [1,1,0,0,0,0|0,0,0]=2 3685 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [1,1,0,0,0,0|0,0,0]=2 3686 B14R2.1128 Cc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100000751756 [1,1,0,0,0,0|1,1,0]=4 3687 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_100010137429_200025704644 [1,1,0,0,0,0|1,1,0]=4 3688 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100010137429 [1,1,0,0,0,0|1,1,0]=4 3689 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [1,1,0,0,0,0|1,0,0]=3 3690 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [1,1,0,0,0,0|1,0,0]=3 3691 B14R2.1128 OCc1cc2ccccc2nc1O 271570a_203496583355_100000754719 [1,1,0,0,0,0|2,0,0]=4 3692 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [1,1,0,0,0,0|1,0,0]=3 3693 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [1,1,0,0,0,0|1,0,0]=3 3694 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [1,1,0,0,0,0|0,0,0]=2 3695 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [1,1,0,0,0,0|0,0,0]=2 3696 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [1,1,0,0,0,0|0,0,0]=2 3697 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [1,1,0,0,0,0|0,0,0]=2 3698 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [1,1,0,0,0,0|1,0,0]=3 3699 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [1,1,0,0,0,0|1,0,0]=3 3700 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [1,1,0,0,0,0|1,0,0]=3 3701 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [1,1,0,0,0,0|1,0,0]=3 3702 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [1,1,0,0,0,0|1,0,0]=3 3703 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [1,1,0,0,0,0|0,1,0]=3 3704 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [1,1,0,0,0,0|0,1,0]=3 3705 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [1,1,0,0,0,0|0,1,0]=3 3706 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [1,1,0,0,0,0|0,1,0]=3 3707 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [1,1,0,0,0,0|0,1,0]=3 3708 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [1,1,0,0,0,0|0,1,0]=3 3709 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [1,1,0,0,0,0|0,1,0]=3 3710 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1Cl 62a_200025704644_100010220712 [1,1,0,0,0,0|1,1,0]=4 3711 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_100011158909_200025704644 [1,1,0,0,0,0|1,1,0]=4 3712 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_200025704644_100011158909 [1,1,0,0,0,0|1,1,0]=4 3713 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1N 62a_100010135404_200025704644 [1,1,0,0,0,0|1,1,0]=4 3714 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1O 62a_200025704644_200009820883 [1,1,0,0,0,0|1,1,0]=4 3715 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [1,1,0,0,0,0|1,1,0]=4 3716 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_100009854028_200025704644 [1,1,0,0,0,0|1,1,0]=4 3717 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_200025704644_100009854028 [1,1,0,0,0,0|1,1,0]=4 3718 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_100011105921_200025704644 [1,1,0,0,0,0|1,1,0]=4 3719 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_200025704644_100011105921 [1,1,0,0,0,0|1,1,0]=4 3720 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_100010244713_200025704644 [1,1,0,0,0,0|1,1,0]=4 3721 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_200025704644_100010244713 [1,1,0,0,0,0|1,1,0]=4 3722 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [1,1,0,0,0,0|1,1,0]=4 3723 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_100010072790_200025704644 [1,1,0,0,0,0|1,1,0]=4 3724 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [1,1,0,0,0,0|1,1,0]=4 3725 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [1,1,0,0,0,0|1,1,0]=4 3726 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [1,1,0,0,0,0|0,0,2]=4 3727 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [1,1,0,0,0,0|0,0,2]=4 3728 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [1,1,0,0,0,0|1,0,0]=3 3729 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [1,1,0,0,0,0|1,0,0]=3 3730 B14R2.1801 CNc1ccc2c(ccnc2c1)Cl 27a_100102657272_100009996786 [1,1,0,0,0,0|2,0,0]=4 3731 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [1,1,0,0,0,0|1,0,0]=3 3732 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [1,1,0,0,0,0|1,0,0]=3 3733 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [1,1,0,0,0,0|1,0,0]=3 3734 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [1,1,0,0,0,0|1,0,0]=3 3735 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [1,1,0,0,0,0|0,0,0]=2 3736 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [1,1,0,0,0,0|0,0,0]=2 3737 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [1,1,0,0,0,0|0,0,0]=2 3738 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3739 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3740 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [1,1,0,0,0,0|1,0,0]=3 3741 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [1,1,0,0,0,0|1,0,0]=3 3742 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [1,1,0,0,0,0|1,0,0]=3 3743 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [1,1,0,0,0,0|1,0,0]=3 3744 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [1,1,0,0,0,0|1,0,0]=3 3745 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [1,1,0,0,0,0|1,0,0]=3 3746 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [1,1,0,0,0,0|1,0,0]=3 3747 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [1,1,0,0,0,0|1,0,0]=3 3748 B14R2.1801 COc1ccc2c(ncnc2c1)O 271570a_203496583355_100011248138 [1,1,0,0,0,0|2,0,0]=4 3749 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [1,1,0,0,0,0|1,0,0]=3 3750 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [1,1,0,0,0,0|1,0,0]=3 3751 B14R2.1801 COc1cnc2c(ccnc2c1)O 271570a_203496583355_100009875103 [1,1,0,0,0,0|2,0,0]=4 3752 B14R2.1801 CSc1ccc2c(=O)ccoc2c1 62a_200000210301_100010062221 [1,1,0,0,0,0|1,1,0]=4 3753 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [1,1,0,0,0,0|0,1,0]=3 3754 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [1,1,0,0,0,0|0,1,0]=3 3755 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [1,1,0,0,0,0|0,1,0]=3 3756 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_100010132309_200000210301 [1,1,0,0,0,0|1,1,0]=4 3757 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_200000210301_100010132309 [1,1,0,0,0,0|1,1,0]=4 3758 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_200000210301 [1,1,0,0,0,0|1,1,0]=4 3759 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_200000210301_100009996786 [1,1,0,0,0,0|1,1,0]=4 3760 B14R2.1801 CSc1ccc2c(ccnc2c1)N 62a_200009816820_200000210301 [1,1,0,0,0,0|1,1,0]=4 3761 B14R2.1801 CSc1ccc2c(ccnc2c1)O 62a_200000210301_100000756855 [1,1,0,0,0,0|1,1,0]=4 3762 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_100000732483_200000210301 [1,1,0,0,0,0|1,1,0]=4 3763 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_200000210301_100000732483 [1,1,0,0,0,0|1,1,0]=4 3764 B14R2.1801 CSc1ccc2c(nccc2c1)O 62a_200000210301_100000760485 [1,1,0,0,0,0|1,1,0]=4 3765 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_100010204298_200000210301 [1,1,0,0,0,0|1,1,0]=4 3766 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_200000210301_100010204298 [1,1,0,0,0,0|1,1,0]=4 3767 B14R2.1801 CSc1cnc2c(cccc2c1)C 62a_200000210301_100009829671 [1,1,0,0,0,0|1,1,0]=4 3768 B14R2.1801 CSc1cnc2c(cccc2c1)Cl 62a_200000210301_100000759377 [1,1,0,0,0,0|1,1,0]=4 3769 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_100000049890_200000210301 [1,1,0,0,0,0|1,1,0]=4 3770 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_200000210301_100000049890 [1,1,0,0,0,0|1,1,0]=4 3771 B14R2.1801 CSc1cnc2c(cccc2c1)N 62a_200000210301_100000702407 [1,1,0,0,0,0|1,1,0]=4 3772 B14R2.1801 Cc1cccc2c1ncc(c2)S[13CH3] 62a_200025704644_100009829671 [1,1,0,0,0,0|1,1,0]=4 3773 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [1,1,0,0,0,0|1,0,0]=3 3774 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [1,1,0,0,0,0|1,0,0]=3 3775 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_100010132309_200025704644 [1,1,0,0,0,0|1,1,0]=4 3776 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010132309 [1,1,0,0,0,0|1,1,0]=4 3777 B14R2.1801 N#Cc1ccc2c(cccc2c1)O 271570a_203496583355_100010090035 [1,1,0,0,0,0|1,0,1]=4 3778 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [1,1,0,0,0,0|1,0,0]=3 3779 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [1,1,0,0,0,0|1,0,0]=3 3780 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [1,1,0,0,0,0|1,0,0]=3 3781 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [1,1,0,0,0,0|1,0,0]=3 3782 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [1,1,0,0,0,0|1,0,0]=3 3783 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [1,1,0,0,0,0|1,0,0]=3 3784 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [1,1,0,0,0,0|0,0,0]=2 3785 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [1,1,0,0,0,0|0,0,0]=2 3786 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [1,1,0,0,0,0|1,0,0]=3 3787 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [1,1,0,0,0,0|1,0,0]=3 3788 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [1,1,0,0,0,0|1,0,0]=3 3789 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [1,1,0,0,0,0|1,0,0]=3 3790 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [1,1,0,0,0,0|1,0,0]=3 3791 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [1,1,0,0,0,0|1,0,0]=3 3792 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [1,1,0,0,0,0|1,0,0]=3 3793 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [1,1,0,0,0,0|1,0,0]=3 3794 B14R2.1801 [13CH3]Sc1ccc2c(=O)ccoc2c1 62a_200025704644_100010062221 [1,1,0,0,0,0|1,1,0]=4 3795 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [1,1,0,0,0,0|0,1,0]=3 3796 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [1,1,0,0,0,0|0,1,0]=3 3797 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [1,1,0,0,0,0|0,1,0]=3 3798 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_200025704644 [1,1,0,0,0,0|1,1,0]=4 3799 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_200025704644_100009996786 [1,1,0,0,0,0|1,1,0]=4 3800 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)N 62a_200009816820_200025704644 [1,1,0,0,0,0|1,1,0]=4 3801 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)O 62a_200025704644_100000756855 [1,1,0,0,0,0|1,1,0]=4 3802 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_100000732483_200025704644 [1,1,0,0,0,0|1,1,0]=4 3803 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_200025704644_100000732483 [1,1,0,0,0,0|1,1,0]=4 3804 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)O 62a_200025704644_100000760485 [1,1,0,0,0,0|1,1,0]=4 3805 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_100010204298_200025704644 [1,1,0,0,0,0|1,1,0]=4 3806 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_200025704644_100010204298 [1,1,0,0,0,0|1,1,0]=4 3807 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Cl 62a_200025704644_100000759377 [1,1,0,0,0,0|1,1,0]=4 3808 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_100000049890_200025704644 [1,1,0,0,0,0|1,1,0]=4 3809 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_200025704644_100000049890 [1,1,0,0,0,0|1,1,0]=4 3810 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)N 62a_200025704644_100000702407 [1,1,0,0,0,0|1,1,0]=4 3811 B14R2.2332 C=Cc1ccc2cc(ccc2c1)Br 271570a_100011290941_100012344972 [1,1,0,0,0,0|0,0,2]=4 3812 B14R2.2332 C=Cc1ccc2cc(ccc2c1)F 271570a_100011290941_100009817052 [1,1,0,0,0,0|0,0,2]=4 3813 B14R2.2332 C=Cc1ccc2cc(ccc2c1)N 271570a_100011290941_100000185457 [1,1,0,0,0,0|0,0,2]=4 3814 B14R2.2332 C=Cc1ccc2cc(ccc2c1)O 271570a_100011290941_100000185455 [1,1,0,0,0,0|0,0,2]=4 3815 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 34a_100000185457_200000210301 [1,1,0,0,0,0|1,0,0]=3 3816 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 7a_100000185457_200000210301 [1,1,0,0,0,0|1,0,0]=3 3817 B14R2.2332 CNc1ccc2cc(ccc2n1)C 27a_100102657272_100011865911 [1,1,0,0,0,0|2,0,0]=4 3818 B14R2.2332 CNc1ccc2cc(ccc2n1)F 27a_100102657272_100011998705 [1,1,0,0,0,0|2,0,0]=4 3819 B14R2.2332 CNc1ccc2cc(ccc2n1)O 271570a_203496583355_200012034361 [1,1,0,0,0,0|2,0,0]=4 3820 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 27a_100102657272_200015509644 [1,1,0,0,0,0|2,0,0]=4 3821 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 34a_200010264087_200000210301 [1,1,0,0,0,0|2,0,0]=4 3822 B14R2.2332 CNc1ccc2nc(ccc2c1)C 34a_100011216442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3823 B14R2.2332 CNc1ccc2oc(=O)ccc2c1 7a_100000008519_200000210301 [1,1,0,0,0,0|2,0,0]=4 3824 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [1,1,0,0,0,0|0,0,0]=2 3825 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [1,1,0,0,0,0|0,0,0]=2 3826 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [1,1,0,0,0,0|0,0,0]=2 3827 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [1,1,0,0,0,0|0,0,0]=2 3828 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [1,1,0,0,0,0|0,0,0]=2 3829 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [1,1,0,0,0,0|0,0,0]=2 3830 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [1,1,0,0,0,0|0,0,0]=2 3831 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [1,1,0,0,0,0|0,0,0]=2 3832 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [1,1,0,0,0,0|0,0,0]=2 3833 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [1,1,0,0,0,0|1,0,0]=3 3834 B14R2.2332 COc1ccc2cc(cnc2c1)Br 34a_200010153753_200000210301 [1,1,0,0,0,0|1,0,0]=3 3835 B14R2.2332 COc1ccc2cc(cnc2c1)Br 7a_200010153753_200000210301 [1,1,0,0,0,0|1,0,0]=3 3836 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [1,1,0,0,0,0|1,0,0]=3 3837 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [1,1,0,0,0,0|1,0,0]=3 3838 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [1,1,0,0,0,0|1,0,0]=3 3839 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [1,1,0,0,0,0|1,0,0]=3 3840 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [1,1,0,0,0,0|1,0,0]=3 3841 B14R2.2332 COc1ccc2nc(cnc2c1)Cl 34a_200010664160_200000210301 [1,1,0,0,0,0|2,0,0]=4 3842 B14R2.2332 COc1ccc2nc(cnc2c1)O 271570a_203496583355_100009843035 [1,1,0,0,0,0|2,0,0]=4 3843 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [1,1,0,0,0,0|1,0,0]=3 3844 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [1,1,0,0,0,0|1,0,0]=3 3845 B14R2.2332 COc1cnc2cc(ccc2c1)F 34a_100012184162_200000210301 [1,1,0,0,0,0|1,0,0]=3 3846 B14R2.2332 COc1cnc2cc(ccc2c1)F 7a_100012184162_200000210301 [1,1,0,0,0,0|1,0,0]=3 3847 B14R2.2332 CSc1ccc2[nH]c(=O)ccc2c1 62a_200000210301_100011934725 [1,1,0,0,0,0|1,1,0]=4 3848 B14R2.2332 CSc1ccc2c[n+](ccc2c1)C 62a_200000210301_100015191232 [1,1,0,0,0,0|1,1,0]=4 3849 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000210301 [1,1,0,0,0,0|0,1,0]=3 3850 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_200000210301_100012344972 [1,1,0,0,0,0|0,1,0]=3 3851 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000210301 [1,1,0,0,0,0|0,1,0]=3 3852 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_200000210301_100009817052 [1,1,0,0,0,0|0,1,0]=3 3853 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000210301 [1,1,0,0,0,0|0,1,0]=3 3854 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_200000210301_100000185457 [1,1,0,0,0,0|0,1,0]=3 3855 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [1,1,0,0,0,0|0,1,0]=3 3856 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000181977_200000210301 [1,1,0,0,0,0|1,1,0]=4 3857 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000210301_100011865911 [1,1,0,0,0,0|1,1,0]=4 3858 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200000210301_100011998705 [1,1,0,0,0,0|1,1,0]=4 3859 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200012355665_200000210301 [1,1,0,0,0,0|1,1,0]=4 3860 B14R2.2332 CSc1ccc2cc(ccc2n1)O 62a_200000210301_100009849208 [1,1,0,0,0,0|1,1,0]=4 3861 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200000210301_200015509644 [1,1,0,0,0,0|1,1,0]=4 3862 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200015509644_200000210301 [1,1,0,0,0,0|1,1,0]=4 3863 B14R2.2332 CSc1ccc2cc(cnc2c1)C 62a_200000210301_100010751441 [1,1,0,0,0,0|1,1,0]=4 3864 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_100010751466_200000210301 [1,1,0,0,0,0|1,1,0]=4 3865 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_200000210301_100010751466 [1,1,0,0,0,0|1,1,0]=4 3866 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_100010142226_200000210301 [1,1,0,0,0,0|1,1,0]=4 3867 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_200000210301_100010142226 [1,1,0,0,0,0|1,1,0]=4 3868 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_100010232990_200000210301 [1,1,0,0,0,0|1,1,0]=4 3869 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_200000210301_100010232990 [1,1,0,0,0,0|1,1,0]=4 3870 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_100000686635_200000210301 [1,1,0,0,0,0|1,1,0]=4 3871 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_200000210301_100000686635 [1,1,0,0,0,0|1,1,0]=4 3872 B14R2.2332 CSc1ccc2nc(ccc2c1)Cl 62a_200000210301_200012034268 [1,1,0,0,0,0|1,1,0]=4 3873 B14R2.2332 CSc1ccc2nc(ccc2c1)N 62a_100011934619_200000210301 [1,1,0,0,0,0|1,1,0]=4 3874 B14R2.2332 CSc1ccc2oc(=O)ccc2c1 62a_200000210301_100009999946 [1,1,0,0,0,0|1,1,0]=4 3875 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_200000210301 [1,1,0,0,0,0|1,1,0]=4 3876 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_200000210301_100015716233 [1,1,0,0,0,0|1,1,0]=4 3877 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200000210301_200010264087 [1,1,0,0,0,0|1,1,0]=4 3878 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200010264087_200000210301 [1,1,0,0,0,0|1,1,0]=4 3879 B14R2.2332 CSc1cnc2cc(ccc2c1)O 62a_200000210301_200010153753 [1,1,0,0,0,0|1,1,0]=4 3880 B14R2.2332 C[n+]1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100015191232 [1,1,0,0,0,0|1,1,0]=4 3881 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [1,1,0,0,0,0|0,0,0]=2 3882 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [1,1,0,0,0,0|0,0,0]=2 3883 B14R2.2332 Cc1ccc2cc(ccc2n1)N[13CH3] 34a_100011216442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3884 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [1,1,0,0,0,0|1,0,0]=3 3885 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [1,1,0,0,0,0|1,0,0]=3 3886 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_100000686635_200025704644 [1,1,0,0,0,0|1,1,0]=4 3887 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_200025704644_100000686635 [1,1,0,0,0,0|1,1,0]=4 3888 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200000181977_200025704644 [1,1,0,0,0,0|1,1,0]=4 3889 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100011865911 [1,1,0,0,0,0|1,1,0]=4 3890 B14R2.2332 Cc1cnc2cc(ccc2c1)S[13CH3] 62a_200025704644_100010751441 [1,1,0,0,0,0|1,1,0]=4 3891 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [1,1,0,0,0,0|1,0,1]=4 3892 B14R2.2332 OCc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356509 [1,1,0,0,0,0|1,0,0]=3 3893 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 34a_100000185457_200025704644 [1,1,0,0,0,0|1,0,0]=3 3894 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 7a_100000185457_200025704644 [1,1,0,0,0,0|1,0,0]=3 3895 B14R2.2332 [13CH3]Nc1ccc2cc(cnc2c1)Br 34a_200010264087_200025704644 [1,1,0,0,0,0|2,0,0]=4 3896 B14R2.2332 [13CH3]Nc1ccc2oc(=O)ccc2c1 7a_100000008519_200025704644 [1,1,0,0,0,0|2,0,0]=4 3897 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [1,1,0,0,0,0|0,0,0]=2 3898 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [1,1,0,0,0,0|0,0,0]=2 3899 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [1,1,0,0,0,0|0,0,0]=2 3900 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [1,1,0,0,0,0|0,0,0]=2 3901 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [1,1,0,0,0,0|0,0,0]=2 3902 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [1,1,0,0,0,0|0,0,0]=2 3903 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 34a_200010153753_200025704644 [1,1,0,0,0,0|1,0,0]=3 3904 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 7a_200010153753_200025704644 [1,1,0,0,0,0|1,0,0]=3 3905 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [1,1,0,0,0,0|1,0,0]=3 3906 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [1,1,0,0,0,0|1,0,0]=3 3907 B14R2.2332 [13CH3]Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_200025704644 [1,1,0,0,0,0|2,0,0]=4 3908 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [1,1,0,0,0,0|1,0,0]=3 3909 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [1,1,0,0,0,0|1,0,0]=3 3910 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 34a_100012184162_200025704644 [1,1,0,0,0,0|1,0,0]=3 3911 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 7a_100012184162_200025704644 [1,1,0,0,0,0|1,0,0]=3 3912 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)ccc2c1 62a_200025704644_100011934725 [1,1,0,0,0,0|1,1,0]=4 3913 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_100012344972_200025704644 [1,1,0,0,0,0|0,1,0]=3 3914 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_200025704644_100012344972 [1,1,0,0,0,0|0,1,0]=3 3915 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_100009817052_200025704644 [1,1,0,0,0,0|0,1,0]=3 3916 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_200025704644_100009817052 [1,1,0,0,0,0|0,1,0]=3 3917 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_100000185457_200025704644 [1,1,0,0,0,0|0,1,0]=3 3918 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_200025704644_100000185457 [1,1,0,0,0,0|0,1,0]=3 3919 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [1,1,0,0,0,0|0,1,0]=3 3920 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200012355665_200025704644 [1,1,0,0,0,0|1,1,0]=4 3921 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200025704644_100011998705 [1,1,0,0,0,0|1,1,0]=4 3922 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)O 62a_200025704644_100009849208 [1,1,0,0,0,0|1,1,0]=4 3923 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200015509644_200025704644 [1,1,0,0,0,0|1,1,0]=4 3924 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200025704644_200015509644 [1,1,0,0,0,0|1,1,0]=4 3925 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_100010751466_200025704644 [1,1,0,0,0,0|1,1,0]=4 3926 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_200025704644_100010751466 [1,1,0,0,0,0|1,1,0]=4 3927 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_100010142226_200025704644 [1,1,0,0,0,0|1,1,0]=4 3928 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_200025704644_100010142226 [1,1,0,0,0,0|1,1,0]=4 3929 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_100010232990_200025704644 [1,1,0,0,0,0|1,1,0]=4 3930 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_200025704644_100010232990 [1,1,0,0,0,0|1,1,0]=4 3931 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)Cl 62a_200025704644_200012034268 [1,1,0,0,0,0|1,1,0]=4 3932 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)N 62a_100011934619_200025704644 [1,1,0,0,0,0|1,1,0]=4 3933 B14R2.2332 [13CH3]Sc1ccc2oc(=O)ccc2c1 62a_200025704644_100009999946 [1,1,0,0,0,0|1,1,0]=4 3934 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_100015716233_200025704644 [1,1,0,0,0,0|1,1,0]=4 3935 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_200025704644_100015716233 [1,1,0,0,0,0|1,1,0]=4 3936 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200010264087_200025704644 [1,1,0,0,0,0|1,1,0]=4 3937 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200025704644_200010264087 [1,1,0,0,0,0|1,1,0]=4 3938 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)O 62a_200025704644_200010153753 [1,1,0,0,0,0|1,1,0]=4 3939 B14R2.2 CC(C)Oc1csc2c1cccc2 34a_100000077758_100000210206 [0,1,0,0,1,0|1,0,0]=3 3940 B14R2.2 CC(C)Oc1csc2c1cccc2 7a_100000077758_100000210206 [0,1,0,0,1,0|1,0,0]=3 3941 B14R2.2 CC(C)Sc1coc2c1cccc2 62a_100000210206_100009812202 [0,1,0,0,1,0|1,1,0]=4 3942 B14R2.2 CC(C)Sc1csc2c1cccc2 62a_100000210206_100009813928 [0,1,0,0,1,0|1,1,0]=4 3943 B14R2.3 C#CCOc1csc2c1cccc2 34a_100000077758_100000184674 [0,1,0,0,1,0|1,0,1]=4 3944 B14R2.3 C#CCOc1csc2c1cccc2 7a_100000077758_100000038162 [0,1,0,0,1,0|1,0,1]=4 3945 B14R2.3 C=CCOc1csc2c1cccc2 34a_100000077758_100015514636 [0,1,0,0,1,0|1,0,1]=4 3946 B14R2.3 C=CCOc1csc2c1cccc2 7a_100000077758_100015514636 [0,1,0,0,1,0|1,0,1]=4 3947 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [0,1,0,0,1,0|2,0,0]=4 3948 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [0,1,0,0,1,0|2,0,0]=4 3949 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [0,1,0,0,1,0|1,0,0]=3 3950 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [0,1,0,0,1,0|1,0,0]=3 3951 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [0,1,0,0,1,0|1,1,0]=4 3952 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [0,1,0,0,1,0|1,1,0]=4 3953 B14R2.3 CCNCc1coc2c1cccc2 207a_100015525214_100000688544 [0,1,0,0,1,0|2,0,0]=4 3954 B14R2.3 CCNCc1coc2c1cccc2 270004a_100015525214_100000688544 [0,1,0,0,1,0|2,0,0]=4 3955 B14R2.3 CCNCc1csc2c1cccc2 207a_100015525214_100000239721 [0,1,0,0,1,0|2,0,0]=4 3956 B14R2.3 CCNCc1csc2c1cccc2 2230a_100015525214_200000742921 [0,1,0,0,1,0|2,0,0]=4 3957 B14R2.3 CCNCc1csc2c1cccc2 270004a_100015525214_100000239721 [0,1,0,0,1,0|2,0,0]=4 3958 B14R2.3 CCNCc1csc2c1cccc2 34a_100000744611_100000210202 [0,1,0,0,1,0|2,0,0]=4 3959 B14R2.3 CCOCc1csc2c1cccc2 34a_100011219454_100000210202 [0,1,0,0,1,0|1,0,0]=3 3960 B14R2.3 CCOCc1csc2c1cccc2 34a_100121572206_200000742921 [0,1,0,0,1,0|1,0,0]=3 3961 B14R2.3 CCOCc1noc2c1cccc2 34a_100121572206_100009813815 [0,1,0,0,1,0|2,0,0]=4 3962 B14R2.3 CCSCc1csc2c1cccc2 62a_100000210202_200000742921 [0,1,0,0,1,0|1,1,0]=4 3963 B14R2.3 CCSCc1csc2c1cccc2 62a_200000742921_100000210202 [0,1,0,0,1,0|1,1,0]=4 3964 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [0,1,0,0,1,0|2,0,0]=4 3965 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [0,1,0,0,1,0|2,0,0]=4 3966 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [0,1,0,0,1,0|2,0,0]=4 3967 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [0,1,0,0,1,0|2,0,0]=4 3968 B14R2.3 CNCCc1coc2c1cccc2 2230a_100011934666_200000210301 [0,1,0,0,1,0|2,0,0]=4 3969 B14R2.3 CNCCc1coc2c1cccc2 34a_100011934666_200000210301 [0,1,0,0,1,0|2,0,0]=4 3970 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [0,1,0,0,1,0|2,0,0]=4 3971 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [0,1,0,0,1,0|2,0,0]=4 3972 B14R2.3 COCCn1ccc2c1cccc2 34a_100011926976_200000210301 [0,1,0,0,1,0|2,0,0]=4 3973 B14R2.3 COCSc1coc2c1cccc2 62a_100000766300_100009812202 [0,1,0,0,1,0|1,1,0]=4 3974 B14R2.3 COCSc1csc2c1cccc2 62a_100000766300_100009813928 [0,1,0,0,1,0|1,1,0]=4 3975 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [0,1,0,0,1,0|2,0,0]=4 3976 B14R2.3 CSCOc1csc2c1cccc2 34a_100000077758_100011218213 [0,1,0,0,1,0|1,0,0]=3 3977 B14R2.3 CSCSc1coc2c1cccc2 62a_100011218213_100009812202 [0,1,0,0,1,0|1,1,0]=4 3978 B14R2.3 CSCSc1csc2c1cccc2 62a_100011218213_100009813928 [0,1,0,0,1,0|1,1,0]=4 3979 B14R2.3 FCCOc1csc2c1cccc2 34a_100000077758_100011217306 [0,1,0,0,1,0|1,0,0]=3 3980 B14R2.3 FCCOc1csc2c1cccc2 7a_100000077758_100011217306 [0,1,0,0,1,0|1,0,0]=3 3981 B14R2.3 FCCSc1coc2c1cccc2 62a_100011217306_100009812202 [0,1,0,0,1,0|1,1,0]=4 3982 B14R2.3 FCCSc1csc2c1cccc2 62a_100011217306_100009813928 [0,1,0,0,1,0|1,1,0]=4 3983 B14R2.3 FCOCc1csc2c1cccc2 34a_100011219454_100015361967 [0,1,0,0,1,0|2,0,0]=4 3984 B14R2.3 N#CCOc1csc2c1cccc2 7a_100000077758_100011215382 [0,1,0,0,1,0|1,0,1]=4 3985 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [0,1,0,0,1,0|1,0,1]=4 3986 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [0,1,0,0,1,0|1,0,1]=4 3987 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [0,1,0,0,1,0|1,0,0]=3 3988 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [0,1,0,0,1,0|1,0,0]=3 3989 B14R2.3 OCCSc1coc2c1cccc2 62a_100000211926_100009812202 [0,1,0,0,1,0|1,1,0]=4 3990 B14R2.3 OCCSc1csc2c1cccc2 62a_100000211926_100009813928 [0,1,0,0,1,0|1,1,0]=4 3991 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [0,1,0,0,1,0|2,0,0]=4 3992 B14R2.3 [13CH3]NCCc1coc2c1cccc2 2230a_100011934666_200025704644 [0,1,0,0,1,0|2,0,0]=4 3993 B14R2.3 [13CH3]NCCc1coc2c1cccc2 34a_100011934666_200025704644 [0,1,0,0,1,0|2,0,0]=4 3994 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [0,1,0,0,1,0|2,0,0]=4 3995 B14R2.3 [13CH3]OCCn1ccc2c1cccc2 34a_100011926976_200025704644 [0,1,0,0,1,0|2,0,0]=4 3996 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [0,1,0,0,1,0|2,0,0]=4 3997 B14R2.7 CCOc1noc2c1cccc2C 34a_100000041175_100000210202 [0,1,0,0,1,0|2,0,0]=4 3998 B14R2.95 CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210202 [0,1,0,0,1,0|1,0,1]=4 3999 B14R2.95 CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210202 [0,1,0,0,1,0|1,0,1]=4 4000 B14R2.517 CCSc1c(oc2c1cccc2)C 62a_100000210202_200010236113 [0,1,0,0,1,0|1,1,0]=4 4001 B14R2.517 CCSc1c(sc2c1cccc2)C 62a_100000210202_100010002616 [0,1,0,0,1,0|1,1,0]=4 4002 B14R2.517 CCSc1c(sc2c1cccc2)C 62a_100010002616_100000210202 [0,1,0,0,1,0|1,1,0]=4 4003 B14R2.6368 CCOc1noc2c1c(ccc2)F 34a_100009888067_100000210202 [0,1,0,0,1,0|2,0,0]=4 4004 B14R2.6419 CCSc1csc2c1cc(cc2)N 62a_100000210202_100011178648 [0,1,0,0,1,0|1,1,0]=4 4005 B14R2.6419 CCSc1csc2c1cc(cc2)N 62a_100011178648_100000210202 [0,1,0,0,1,0|1,1,0]=4 4006 B14R2.44 CCOc1cc2ccccc2n1C 34a_100000066695_100000210202 [0,1,0,0,1,0|1,0,0]=3 4007 B14R2.44 CCSc1sc2ccccc2c1Br 62a_100000210202_100015504031 [0,1,0,0,1,0|1,1,0]=4 4008 B14R2.44 CCSc1sc2ccccc2c1Br 62a_100015504031_100000210202 [0,1,0,0,1,0|1,1,0]=4 4009 B14R2.44 CCSc1sc2ccccc2c1C 62a_100000210202_200010198769 [0,1,0,0,1,0|1,1,0]=4 4010 B14R2.44 Cn1c(cc2c1cccc2)OCF 34a_100000066695_100015361967 [0,1,0,0,1,0|2,0,0]=4 4011 B14R2.67 CCCCc1cc2ccccc2[nH]1 271570a_100020621405_100010232065 [0,1,0,0,1,0|2,0,0]=4 4012 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [0,1,0,0,1,0|2,0,0]=4 4013 B14R2.67 CCCCc1cc2ccccc2s1 271570a_100020621405_100009816949 [0,1,0,0,1,0|2,0,0]=4 4014 B14R2.67 CCCSc1cc2ccccc2[nH]1 62a_100000210303_100010232065 [0,1,0,0,1,0|1,1,0]=4 4015 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [0,1,0,0,1,0|1,1,0]=4 4016 B14R2.67 CCCSc1cc2ccccc2s1 62a_100000210303_100009816949 [0,1,0,0,1,0|1,1,0]=4 4017 B14R2.67 CCNCc1cc2ccccc2[nH]1 270004a_100015525214_100000051030 [0,1,0,0,1,0|2,0,0]=4 4018 B14R2.67 CCNCc1cc2ccccc2o1 207a_100015525214_100000229944 [0,1,0,0,1,0|2,0,0]=4 4019 B14R2.67 CCNCc1cc2ccccc2o1 270004a_100015525214_100000229944 [0,1,0,0,1,0|2,0,0]=4 4020 B14R2.67 CCNCc1cc2ccccc2s1 207a_100015525214_100000686906 [0,1,0,0,1,0|2,0,0]=4 4021 B14R2.67 CCNCc1cc2ccccc2s1 2230a_100015187092_100000210202 [0,1,0,0,1,0|2,0,0]=4 4022 B14R2.67 CCNCc1cc2ccccc2s1 270004a_100015525214_100000686906 [0,1,0,0,1,0|2,0,0]=4 4023 B14R2.67 CCOCc1cc2ccccc2o1 34a_100000233474_100000210202 [0,1,0,0,1,0|1,0,0]=3 4024 B14R2.67 CCOCc1cc2ccccc2o1 7a_100000233474_100000210202 [0,1,0,0,1,0|1,0,0]=3 4025 B14R2.67 CCOCc1cn2ccccc2n1 34a_100121572206_100000689847 [0,1,0,0,1,0|2,0,0]=4 4026 B14R2.67 CCOCc1nc2ccccc2o1 34a_100121572206_200012361514 [0,1,0,0,1,0|2,0,0]=4 4027 B14R2.67 CCOCc1nc2ccccc2s1 34a_100121572206_100011217541 [0,1,0,0,1,0|2,0,0]=4 4028 B14R2.67 COCCc1cc2ccccc2o1 34a_100011996023_200000210301 [0,1,0,0,1,0|2,0,0]=4 4029 B14R2.67 COCCc1cc2ccccc2o1 7a_100011996023_200000210301 [0,1,0,0,1,0|2,0,0]=4 4030 B14R2.67 COCSc1cc2ccccc2[nH]1 62a_100000766300_100010232065 [0,1,0,0,1,0|1,1,0]=4 4031 B14R2.67 COCSc1cc2ccccc2o1 62a_100000766300_100010159458 [0,1,0,0,1,0|1,1,0]=4 4032 B14R2.67 COCSc1cc2ccccc2s1 62a_100000766300_100009816949 [0,1,0,0,1,0|1,1,0]=4 4033 B14R2.67 CSCSc1cc2ccccc2[nH]1 62a_100011218213_100010232065 [0,1,0,0,1,0|1,1,0]=4 4034 B14R2.67 CSCSc1cc2ccccc2o1 62a_100011218213_100010159458 [0,1,0,0,1,0|1,1,0]=4 4035 B14R2.67 CSCSc1cc2ccccc2s1 62a_100011218213_100009816949 [0,1,0,0,1,0|1,1,0]=4 4036 B14R2.67 FCCSc1cc2ccccc2[nH]1 62a_100011217306_100010232065 [0,1,0,0,1,0|1,1,0]=4 4037 B14R2.67 FCCSc1cc2ccccc2o1 62a_100011217306_100010159458 [0,1,0,0,1,0|1,1,0]=4 4038 B14R2.67 FCCSc1cc2ccccc2s1 62a_100011217306_100009816949 [0,1,0,0,1,0|1,1,0]=4 4039 B14R2.67 FCOCc1cc2ccccc2o1 34a_100000233474_100015361967 [0,1,0,0,1,0|2,0,0]=4 4040 B14R2.67 FCOCc1cc2ccccc2o1 7a_100000233474_100015361967 [0,1,0,0,1,0|2,0,0]=4 4041 B14R2.67 OCCSc1cc2ccccc2[nH]1 62a_100000211926_100010232065 [0,1,0,0,1,0|1,1,0]=4 4042 B14R2.67 OCCSc1cc2ccccc2o1 62a_100000211926_100010159458 [0,1,0,0,1,0|1,1,0]=4 4043 B14R2.67 OCCSc1cc2ccccc2s1 62a_100000211926_100009816949 [0,1,0,0,1,0|1,1,0]=4 4044 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 34a_100011996023_200025704644 [0,1,0,0,1,0|2,0,0]=4 4045 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 7a_100011996023_200025704644 [0,1,0,0,1,0|2,0,0]=4 4046 B14R2.106 CCSc1cc2cc(ccc2[nH]1)Br 62a_100000210202_100011012855 [0,1,0,0,1,0|1,1,0]=4 4047 B14R2.106 CCSc1cc2cc(ccc2[nH]1)Br 62a_100011012855_100000210202 [0,1,0,0,1,0|1,1,0]=4 4048 B14R2.106 CCSc1cc2cc(ccc2s1)Br 62a_100000210202_200010198765 [0,1,0,0,1,0|1,1,0]=4 4049 B14R2.106 CCSc1cc2cc(ccc2s1)Br 62a_200010198765_100000210202 [0,1,0,0,1,0|1,1,0]=4 4050 B14R2.111 CCSc1cc2cccc(c2[nH]1)Br 62a_100000210202_100135389745 [0,1,0,0,1,0|1,1,0]=4 4051 B14R2.111 CCSc1cc2cccc(c2[nH]1)Br 62a_100135389745_100000210202 [0,1,0,0,1,0|1,1,0]=4 4052 B14R2.768 CC(C)Sc1cc2ccccc2[nH]1 62a_100000210206_100010232065 [0,1,0,0,1,0|1,1,0]=4 4053 B14R2.768 CC(C)Sc1cc2ccccc2o1 62a_100000210206_100010159458 [0,1,0,0,1,0|1,1,0]=4 4054 B14R2.768 CC(C)Sc1cc2ccccc2s1 62a_100000210206_100009816949 [0,1,0,0,1,0|1,1,0]=4 4055 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,0,1,0|1,0,1]=4 4056 B14R2.475 CCNc1ccc2ccn(c2c1)C 34a_100000712629_100000210202 [0,1,0,0,1,0|2,0,0]=4 4057 B14R2.475 CCNc1ccc2scc(c2c1)Br 2230a_100011178648_100000210202 [0,1,0,0,1,0|2,0,0]=4 4058 B14R2.475 CCNc1ccc2scc(c2c1)Br 34a_100011178648_100000210202 [0,1,0,0,1,0|2,0,0]=4 4059 B14R2.475 CCOc1ccc2[nH]cc(c2c1)C 34a_100000131216_100000210202 [0,1,0,0,1,0|1,0,0]=3 4060 B14R2.475 CCOc1ccc2c(c1)C(=O)CC2 34a_100009827925_100000210202 [0,1,0,0,1,0|0,0,2]=4 4061 B14R2.475 CCOc1ccc2c(c1)C(=O)CC2 7a_100009827925_100000210202 [0,1,0,0,1,0|0,0,2]=4 4062 B14R2.475 CCOc1ccc2c(c1)C(=O)NC2 34a_100000087830_100000210202 [0,1,0,0,1,0|1,0,1]=4 4063 B14R2.475 CCOc1ccc2cnn(c2c1)C 34a_100009862793_100000210202 [0,1,0,0,1,0|2,0,0]=4 4064 B14R2.475 CCSc1ccc2[nH]cc(c2c1)C 62a_100000210202_100009816687 [0,1,0,0,1,0|1,1,0]=4 4065 B14R2.475 CCSc1ccc2ccn(c2c1)C 62a_100000210202_100011934912 [0,1,0,0,1,0|1,1,0]=4 4066 B14R2.475 CCSc1ccc2occ(c2c1)C 62a_100000210202_100000728893 [0,1,0,0,1,0|1,1,0]=4 4067 B14R2.475 CCSc1ccc2scc(c2c1)C 62a_100000210202_100009814196 [0,1,0,0,1,0|1,1,0]=4 4068 B14R2.475 Cc1c[nH]c2c1cc(cc2)OCF 34a_100000131216_100015361967 [0,1,0,0,1,0|2,0,0]=4 4069 B14R2.583 CCSc1cc2[nH]ccc2cc1Br 62a_100000210202_100000703010 [0,1,0,0,1,0|1,1,0]=4 4070 B14R2.583 CCSc1cc2[nH]ccc2cc1Br 62a_100000703010_100000210202 [0,1,0,0,1,0|1,1,0]=4 4071 B14R2.583 CCSc1cc2[nH]ccc2cc1C 62a_100000210202_100010199660 [0,1,0,0,1,0|1,1,0]=4 4072 B14R2.583 CCSc1cc2[nH]ccc2cc1F 62a_100000210202_100009817181 [0,1,0,0,1,0|1,1,0]=4 4073 B14R2.583 CCSc1cc2[nH]ccc2cc1F 62a_100009817181_100000210202 [0,1,0,0,1,0|1,1,0]=4 4074 B14R2.583 CCSc1cc2cc[nH]c2cc1C 62a_100000210202_100010199648 [0,1,0,0,1,0|1,1,0]=4 4075 B14R2.583 CCSc1cc2cc[nH]c2cc1F 62a_100000210202_100000731065 [0,1,0,0,1,0|1,1,0]=4 4076 B14R2.583 CCSc1cc2cc[nH]c2cc1F 62a_100000731065_100000210202 [0,1,0,0,1,0|1,1,0]=4 4077 B14R2.583 CCSc1cc2cc[nH]c2cc1N 62a_100000210202_100010212544 [0,1,0,0,1,0|1,1,0]=4 4078 B14R2.583 CCSc1cc2cc[nH]c2cc1N 62a_100010212544_100000210202 [0,1,0,0,1,0|1,1,0]=4 4079 B14R2.583 CCSc1cc2sccc2cc1C 62a_100000210202_100010762285 [0,1,0,0,1,0|1,1,0]=4 4080 B14R2.583 CCSc1cc2sccc2cc1C 62a_100010762285_100000210202 [0,1,0,0,1,0|1,1,0]=4 4081 B14R2.587 CCNc1cc(c2cc[nH]c2c1)F 34a_100000085187_100000210202 [0,1,0,0,1,0|2,0,0]=4 4082 B14R2.587 CCOc1cc(c2ncsc2c1)C 34a_200009842467_100000210202 [0,1,0,0,1,0|2,0,0]=4 4083 B14R2.587 CCOc1cc(c2ncsc2c1)C 7a_200009842467_100000210202 [0,1,0,0,1,0|2,0,0]=4 4084 B14R2.587 CCOc1cc(c2occc2c1)Br 34a_200010248604_100000210202 [0,1,0,0,1,0|1,0,0]=3 4085 B14R2.587 CCOc1cc(c2occc2c1)Br 7a_200010248604_100000210202 [0,1,0,0,1,0|1,0,0]=3 4086 B14R2.587 CCSc1cc(c2[nH]ccc2c1)C 62a_100000210202_100009817142 [0,1,0,0,1,0|1,1,0]=4 4087 B14R2.587 CCSc1cc(c2[nH]ccc2c1)F 62a_100000210202_100010138380 [0,1,0,0,1,0|1,1,0]=4 4088 B14R2.587 CCSc1cc(c2[nH]ccc2c1)N 62a_100000210202_100009813507 [0,1,0,0,1,0|1,1,0]=4 4089 B14R2.587 CCSc1cc(c2cc[nH]c2c1)Br 62a_100000210202_100009814775 [0,1,0,0,1,0|1,1,0]=4 4090 B14R2.587 CCSc1cc(c2cc[nH]c2c1)Br 62a_100009814775_100000210202 [0,1,0,0,1,0|1,1,0]=4 4091 B14R2.587 CCSc1cc(c2cc[nH]c2c1)F 62a_100000210202_100010186028 [0,1,0,0,1,0|1,1,0]=4 4092 B14R2.587 CCSc1cc(c2cc[nH]c2c1)F 62a_100010186028_100000210202 [0,1,0,0,1,0|1,1,0]=4 4093 B14R2.587 CCSc1cc(c2cc[nH]c2c1)N 62a_100000210202_106744500199 [0,1,0,0,1,0|1,1,0]=4 4094 B14R2.587 CCSc1cc(c2occc2c1)C 62a_100000210202_100012361858 [0,1,0,0,1,0|1,1,0]=4 4095 B14R2.587 CCSc1cc(c2occc2c1)F 62a_100000210202_100012355474 [0,1,0,0,1,0|1,1,0]=4 4096 B14R2.587 FCOc1cc(c2occc2c1)Br 34a_200010248604_100015361967 [0,1,0,0,1,0|2,0,0]=4 4097 B14R2.587 FCOc1cc(c2occc2c1)Br 7a_200010248604_100015361967 [0,1,0,0,1,0|2,0,0]=4 4098 B14R2.808 CCOc1ccc2[nH]ncc2c1Cl 7a_100009844731_100000210202 [0,1,0,0,1,0|2,0,0]=4 4099 B14R2.808 CCSc1ccc2[nH]ccc2c1C 62a_100000210202_100010731972 [0,1,0,0,1,0|1,1,0]=4 4100 B14R2.808 CCSc1ccc2[nH]ccc2c1F 62a_100000210202_100000700836 [0,1,0,0,1,0|1,1,0]=4 4101 B14R2.808 CCSc1ccc2[nH]ccc2c1F 62a_100000700836_100000210202 [0,1,0,0,1,0|1,1,0]=4 4102 B14R2.808 CCSc1ccc2cc[nH]c2c1C 62a_100000210202_100009816929 [0,1,0,0,1,0|1,1,0]=4 4103 B14R2.966 CCC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_100000210202 [0,1,0,0,1,0|2,0,0]=4 4104 B14R2.966 CCC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_100000210202 [0,1,0,0,1,0|2,0,0]=4 4105 B14R2.966 CCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210202 [0,1,0,0,1,0|2,0,0]=4 4106 B14R2.966 CCC(=O)c1ccc2ccsc2c1 1458a_100000045399_100000210202 [0,1,0,0,1,0|2,0,0]=4 4107 B14R2.966 CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210202 [0,1,0,0,1,0|2,0,0]=4 4108 B14R2.966 CCC(=O)c1ccc2sccc2c1 1458a_100000766740_100000210202 [0,1,0,0,1,0|2,0,0]=4 4109 B14R2.991 C#CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000184674 [0,1,0,0,1,0|1,0,1]=4 4110 B14R2.991 C#CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000184674 [0,1,0,0,1,0|1,0,1]=4 4111 B14R2.991 C#CCOc1ccc2ccoc2c1 34a_100000089557_100000184674 [0,1,0,0,1,0|1,0,1]=4 4112 B14R2.991 C#CCOc1ccc2ccoc2c1 7a_100000089557_100000038162 [0,1,0,0,1,0|1,0,1]=4 4113 B14R2.991 C#CCOc1ccc2occc2c1 34a_100000070125_100000184674 [0,1,0,0,1,0|1,0,1]=4 4114 B14R2.991 C#CCOc1ccc2occc2c1 7a_100000070125_100000038162 [0,1,0,0,1,0|1,0,1]=4 4115 B14R2.991 C#CCOc1ccc2sccc2c1 34a_100012180905_100000184674 [0,1,0,0,1,0|1,0,1]=4 4116 B14R2.991 C#CCOc1ccc2sccc2c1 7a_100012180905_100000038162 [0,1,0,0,1,0|1,0,1]=4 4117 B14R2.991 C=CCOc1ccc2[nH]ccc2c1 34a_100000756620_100015514636 [0,1,0,0,1,0|1,0,1]=4 4118 B14R2.991 C=CCOc1ccc2cc[nH]c2c1 34a_100000036713_100015514636 [0,1,0,0,1,0|1,0,1]=4 4119 B14R2.991 C=CCOc1ccc2ccoc2c1 34a_100000089557_100015514636 [0,1,0,0,1,0|1,0,1]=4 4120 B14R2.991 C=CCOc1ccc2ccoc2c1 7a_100000089557_100015514636 [0,1,0,0,1,0|1,0,1]=4 4121 B14R2.991 C=CCOc1ccc2occc2c1 34a_100000070125_100015514636 [0,1,0,0,1,0|1,0,1]=4 4122 B14R2.991 C=CCOc1ccc2occc2c1 7a_100000070125_100015514636 [0,1,0,0,1,0|1,0,1]=4 4123 B14R2.991 C=CCOc1ccc2sccc2c1 34a_100012180905_100015514636 [0,1,0,0,1,0|1,0,1]=4 4124 B14R2.991 C=CCOc1ccc2sccc2c1 7a_100012180905_100015514636 [0,1,0,0,1,0|1,0,1]=4 4125 B14R2.991 CCCCc1ccc2[nH]ccc2c1 271570a_100020621405_100000211741 [0,1,0,0,1,0|2,0,0]=4 4126 B14R2.991 CCCCc1ccc2c(c1)C=CC2 271570a_100020621405_100009814306 [0,1,0,0,1,0|1,0,1]=4 4127 B14R2.991 CCCCc1ccc2c(c1)CC=C2 271570a_100020621405_200009818231 [0,1,0,0,1,0|1,0,1]=4 4128 B14R2.991 CCCCc1ccc2cc[nH]c2c1 271570a_100020621405_100000743809 [0,1,0,0,1,0|2,0,0]=4 4129 B14R2.991 CCCCc1ccc2ccoc2c1 271570a_100020621405_100000759542 [0,1,0,0,1,0|2,0,0]=4 4130 B14R2.991 CCCCc1ccc2ccsc2c1 271570a_100020621405_100009888917 [0,1,0,0,1,0|2,0,0]=4 4131 B14R2.991 CCCCc1ccc2cscc2c1 271570a_100020621405_200010760811 [0,1,0,0,1,0|2,0,0]=4 4132 B14R2.991 CCCCc1ccc2occc2c1 271570a_100020621405_100012343831 [0,1,0,0,1,0|2,0,0]=4 4133 B14R2.991 CCCCc1ccc2sccc2c1 271570a_100020621405_100009814439 [0,1,0,0,1,0|2,0,0]=4 4134 B14R2.991 CCCNc1ccc2ccoc2c1 34a_100000102395_100000210303 [0,1,0,0,1,0|2,0,0]=4 4135 B14R2.991 CCCNc1ccc2occc2c1 34a_106430523501_100000210303 [0,1,0,0,1,0|2,0,0]=4 4136 B14R2.991 CCCNc1ccc2sccc2c1 34a_100000681076_100000210303 [0,1,0,0,1,0|2,0,0]=4 4137 B14R2.991 CCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210303 [0,1,0,0,1,0|1,0,0]=3 4138 B14R2.991 CCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210303 [0,1,0,0,1,0|1,0,0]=3 4139 B14R2.991 CCCOc1ccc2ccoc2c1 34a_100000089557_100000210303 [0,1,0,0,1,0|1,0,0]=3 4140 B14R2.991 CCCOc1ccc2ccoc2c1 7a_100000089557_100000210303 [0,1,0,0,1,0|1,0,0]=3 4141 B14R2.991 CCCOc1ccc2cnoc2c1 34a_100000098417_100000210303 [0,1,0,0,1,0|2,0,0]=4 4142 B14R2.991 CCCOc1ccc2cnoc2c1 7a_100000098417_100000210303 [0,1,0,0,1,0|2,0,0]=4 4143 B14R2.991 CCCOc1ccc2ncsc2c1 34a_100011995850_100000210303 [0,1,0,0,1,0|2,0,0]=4 4144 B14R2.991 CCCOc1ccc2ncsc2c1 7a_100011995850_100000210303 [0,1,0,0,1,0|2,0,0]=4 4145 B14R2.991 CCCOc1ccc2occc2c1 34a_100000070125_100000210303 [0,1,0,0,1,0|1,0,0]=3 4146 B14R2.991 CCCOc1ccc2occc2c1 7a_100000070125_100000210303 [0,1,0,0,1,0|1,0,0]=3 4147 B14R2.991 CCCOc1ccc2sccc2c1 34a_100012180905_100000210303 [0,1,0,0,1,0|1,0,0]=3 4148 B14R2.991 CCCOc1ccc2sccc2c1 7a_100012180905_100000210303 [0,1,0,0,1,0|1,0,0]=3 4149 B14R2.991 CCCOc1ccc2scnc2c1 34a_200009850626_100000210303 [0,1,0,0,1,0|2,0,0]=4 4150 B14R2.991 CCCOc1ccc2scnc2c1 7a_200009850626_100000210303 [0,1,0,0,1,0|2,0,0]=4 4151 B14R2.991 CCCOc1ccn2ccnc2c1 34a_100009863278_100000210303 [0,1,0,0,1,0|2,0,0]=4 4152 B14R2.991 CCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210303 [0,1,0,0,1,0|2,0,0]=4 4153 B14R2.991 CCCSc1ccc2[nH]ccc2c1 62a_100000210303_100000035808 [0,1,0,0,1,0|1,1,0]=4 4154 B14R2.991 CCCSc1ccc2c(c1)C=CC2 62a_100000210303_100009814306 [0,1,0,0,1,0|0,1,1]=4 4155 B14R2.991 CCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210303 [0,1,0,0,1,0|0,1,1]=4 4156 B14R2.991 CCCSc1ccc2c(c1)CC=C2 62a_100000210303_200009818231 [0,1,0,0,1,0|0,1,1]=4 4157 B14R2.991 CCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210303 [0,1,0,0,1,0|0,1,1]=4 4158 B14R2.991 CCCSc1ccc2cc[nH]c2c1 62a_100000210303_100000743809 [0,1,0,0,1,0|1,1,0]=4 4159 B14R2.991 CCCSc1ccc2ccoc2c1 62a_100000210303_100000759542 [0,1,0,0,1,0|1,1,0]=4 4160 B14R2.991 CCCSc1ccc2ccsc2c1 62a_100000210303_100009888917 [0,1,0,0,1,0|1,1,0]=4 4161 B14R2.991 CCCSc1ccc2cscc2c1 62a_100000210303_200010760811 [0,1,0,0,1,0|1,1,0]=4 4162 B14R2.991 CCCSc1ccc2occc2c1 62a_100000210303_100000691453 [0,1,0,0,1,0|1,1,0]=4 4163 B14R2.991 CCCSc1ccc2sccc2c1 62a_100000210303_100009814439 [0,1,0,0,1,0|1,1,0]=4 4164 B14R2.991 CCNCc1ccc2[nH]ccc2c1 207a_100015525214_100011197475 [0,1,0,0,1,0|2,0,0]=4 4165 B14R2.991 CCNCc1ccc2[nH]ccc2c1 270004a_100015525214_100011197475 [0,1,0,0,1,0|2,0,0]=4 4166 B14R2.991 CCNCc1ccc2cc[nH]c2c1 207a_100015525214_100011218920 [0,1,0,0,1,0|2,0,0]=4 4167 B14R2.991 CCNCc1ccc2cc[nH]c2c1 270004a_100015525214_100011218920 [0,1,0,0,1,0|2,0,0]=4 4168 B14R2.991 CCNCc1ccc2ccsc2c1 207a_100015525214_100000112508 [0,1,0,0,1,0|2,0,0]=4 4169 B14R2.991 CCNCc1ccc2ccsc2c1 270004a_100015525214_100000112508 [0,1,0,0,1,0|2,0,0]=4 4170 B14R2.991 CCNCc1ccc2occc2c1 207a_100015525214_100000040644 [0,1,0,0,1,0|2,0,0]=4 4171 B14R2.991 CCNCc1ccc2occc2c1 2230a_100020591328_100000210202 [0,1,0,0,1,0|2,0,0]=4 4172 B14R2.991 CCNCc1ccc2occc2c1 270004a_100015525214_100000040644 [0,1,0,0,1,0|2,0,0]=4 4173 B14R2.991 CCNCc1ccc2occc2c1 34a_100020591328_100000210202 [0,1,0,0,1,0|2,0,0]=4 4174 B14R2.991 CCNCc1ccc2sccc2c1 207a_100015525214_100000050658 [0,1,0,0,1,0|2,0,0]=4 4175 B14R2.991 CCNCc1ccc2sccc2c1 2230a_100000732457_100000210202 [0,1,0,0,1,0|2,0,0]=4 4176 B14R2.991 CCNCc1ccc2sccc2c1 270004a_100015525214_100000050658 [0,1,0,0,1,0|2,0,0]=4 4177 B14R2.991 CCNCc1ccc2sccc2c1 34a_100000732457_100000210202 [0,1,0,0,1,0|2,0,0]=4 4178 B14R2.991 CCOCc1ccc2ccoc2c1 34a_200009859634_100000210202 [0,1,0,0,1,0|1,0,0]=3 4179 B14R2.991 CCOCc1ccc2ccoc2c1 7a_200009859634_100000210202 [0,1,0,0,1,0|1,0,0]=3 4180 B14R2.991 CCOCc1ccc2ccsc2c1 34a_100010262773_100000210202 [0,1,0,0,1,0|1,0,0]=3 4181 B14R2.991 CCOCc1ccc2ccsc2c1 7a_100010262773_100000210202 [0,1,0,0,1,0|1,0,0]=3 4182 B14R2.991 CCOCc1ccc2cn[nH]c2c1 34a_100121572206_100020605281 [0,1,0,0,1,0|2,0,0]=4 4183 B14R2.991 CCOCc1ccc2ncoc2c1 34a_100121572206_106359897996 [0,1,0,0,1,0|2,0,0]=4 4184 B14R2.991 CCOCc1ccc2ncsc2c1 34a_100121572206_100009847474 [0,1,0,0,1,0|2,0,0]=4 4185 B14R2.991 CCOCc1ccc2occc2c1 34a_100000067418_100000210202 [0,1,0,0,1,0|1,0,0]=3 4186 B14R2.991 CCOCc1ccc2occc2c1 7a_100000067418_100000210202 [0,1,0,0,1,0|1,0,0]=3 4187 B14R2.991 CCOCc1ccc2ocnc2c1 34a_100121572206_200010203175 [0,1,0,0,1,0|2,0,0]=4 4188 B14R2.991 CCOCc1ccc2sccc2c1 34a_100000068000_100000210202 [0,1,0,0,1,0|1,0,0]=3 4189 B14R2.991 CCOCc1ccc2sccc2c1 7a_100000068000_100000210202 [0,1,0,0,1,0|1,0,0]=3 4190 B14R2.991 CCOCc1ccc2scnc2c1 34a_100009883289_100000210202 [0,1,0,0,1,0|2,0,0]=4 4191 B14R2.991 COCCc1ccc2sccc2c1 34a_100000087132_200000210301 [0,1,0,0,1,0|2,0,0]=4 4192 B14R2.991 COCCc1ccc2sccc2c1 7a_100000087132_200000210301 [0,1,0,0,1,0|2,0,0]=4 4193 B14R2.991 COCSc1ccc2[nH]ccc2c1 62a_100000766300_100000035808 [0,1,0,0,1,0|1,1,0]=4 4194 B14R2.991 COCSc1ccc2c(c1)C=CC2 62a_100000766300_100009814306 [0,1,0,0,1,0|0,1,1]=4 4195 B14R2.991 COCSc1ccc2c(c1)C=CC2 62a_100009814306_100000766300 [0,1,0,0,1,0|0,1,1]=4 4196 B14R2.991 COCSc1ccc2c(c1)CC=C2 62a_100000766300_200009818231 [0,1,0,0,1,0|0,1,1]=4 4197 B14R2.991 COCSc1ccc2c(c1)CC=C2 62a_200009818231_100000766300 [0,1,0,0,1,0|0,1,1]=4 4198 B14R2.991 COCSc1ccc2cc[nH]c2c1 62a_100000766300_100000743809 [0,1,0,0,1,0|1,1,0]=4 4199 B14R2.991 COCSc1ccc2ccoc2c1 62a_100000766300_100000759542 [0,1,0,0,1,0|1,1,0]=4 4200 B14R2.991 COCSc1ccc2ccsc2c1 62a_100000766300_100009888917 [0,1,0,0,1,0|1,1,0]=4 4201 B14R2.991 COCSc1ccc2cscc2c1 62a_100000766300_200010760811 [0,1,0,0,1,0|1,1,0]=4 4202 B14R2.991 COCSc1ccc2occc2c1 62a_100000766300_100000691453 [0,1,0,0,1,0|1,1,0]=4 4203 B14R2.991 COCSc1ccc2sccc2c1 62a_100000766300_100009814439 [0,1,0,0,1,0|1,1,0]=4 4204 B14R2.991 CSCNc1ccc2ccoc2c1 34a_100000102395_100011218213 [0,1,0,0,1,0|2,0,0]=4 4205 B14R2.991 CSCNc1ccc2occc2c1 34a_106430523501_100011218213 [0,1,0,0,1,0|2,0,0]=4 4206 B14R2.991 CSCNc1ccc2sccc2c1 34a_100000681076_100011218213 [0,1,0,0,1,0|2,0,0]=4 4207 B14R2.991 CSCOc1ccc2[nH]ccc2c1 34a_100000756620_100011218213 [0,1,0,0,1,0|1,0,0]=3 4208 B14R2.991 CSCOc1ccc2cc[nH]c2c1 34a_100000036713_100011218213 [0,1,0,0,1,0|1,0,0]=3 4209 B14R2.991 CSCOc1ccc2ccoc2c1 34a_100000089557_100011218213 [0,1,0,0,1,0|1,0,0]=3 4210 B14R2.991 CSCOc1ccc2cnoc2c1 34a_100000098417_100011218213 [0,1,0,0,1,0|2,0,0]=4 4211 B14R2.991 CSCOc1ccc2ncsc2c1 34a_100011995850_100011218213 [0,1,0,0,1,0|2,0,0]=4 4212 B14R2.991 CSCOc1ccc2occc2c1 34a_100000070125_100011218213 [0,1,0,0,1,0|1,0,0]=3 4213 B14R2.991 CSCOc1ccc2sccc2c1 34a_100012180905_100011218213 [0,1,0,0,1,0|1,0,0]=3 4214 B14R2.991 CSCOc1ccc2scnc2c1 34a_200009850626_100011218213 [0,1,0,0,1,0|2,0,0]=4 4215 B14R2.991 CSCOc1ccn2ccnc2c1 34a_100009863278_100011218213 [0,1,0,0,1,0|2,0,0]=4 4216 B14R2.991 CSCOc1cnc2[nH]ccc2c1 34a_100000087691_100011218213 [0,1,0,0,1,0|2,0,0]=4 4217 B14R2.991 CSCSc1ccc2[nH]ccc2c1 62a_100011218213_100000035808 [0,1,0,0,1,0|1,1,0]=4 4218 B14R2.991 CSCSc1ccc2c(c1)C=CC2 62a_100009814306_100011218213 [0,1,0,0,1,0|0,1,1]=4 4219 B14R2.991 CSCSc1ccc2c(c1)C=CC2 62a_100011218213_100009814306 [0,1,0,0,1,0|0,1,1]=4 4220 B14R2.991 CSCSc1ccc2c(c1)CC=C2 62a_100011218213_200009818231 [0,1,0,0,1,0|0,1,1]=4 4221 B14R2.991 CSCSc1ccc2c(c1)CC=C2 62a_200009818231_100011218213 [0,1,0,0,1,0|0,1,1]=4 4222 B14R2.991 CSCSc1ccc2cc[nH]c2c1 62a_100011218213_100000743809 [0,1,0,0,1,0|1,1,0]=4 4223 B14R2.991 CSCSc1ccc2ccoc2c1 62a_100011218213_100000759542 [0,1,0,0,1,0|1,1,0]=4 4224 B14R2.991 CSCSc1ccc2ccsc2c1 62a_100011218213_100009888917 [0,1,0,0,1,0|1,1,0]=4 4225 B14R2.991 CSCSc1ccc2cscc2c1 62a_100011218213_200010760811 [0,1,0,0,1,0|1,1,0]=4 4226 B14R2.991 CSCSc1ccc2occc2c1 62a_100011218213_100000691453 [0,1,0,0,1,0|1,1,0]=4 4227 B14R2.991 CSCSc1ccc2sccc2c1 62a_100011218213_100009814439 [0,1,0,0,1,0|1,1,0]=4 4228 B14R2.991 FCCNc1ccc2ccoc2c1 34a_100000102395_100011217306 [0,1,0,0,1,0|2,0,0]=4 4229 B14R2.991 FCCNc1ccc2occc2c1 34a_106430523501_100011217306 [0,1,0,0,1,0|2,0,0]=4 4230 B14R2.991 FCCNc1ccc2sccc2c1 34a_100000681076_100011217306 [0,1,0,0,1,0|2,0,0]=4 4231 B14R2.991 FCCOc1ccc2[nH]ccc2c1 34a_100000756620_100011217306 [0,1,0,0,1,0|1,0,0]=3 4232 B14R2.991 FCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011217306 [0,1,0,0,1,0|1,0,0]=3 4233 B14R2.991 FCCOc1ccc2ccoc2c1 34a_100000089557_100011217306 [0,1,0,0,1,0|1,0,0]=3 4234 B14R2.991 FCCOc1ccc2ccoc2c1 7a_100000089557_100011217306 [0,1,0,0,1,0|1,0,0]=3 4235 B14R2.991 FCCOc1ccc2cnoc2c1 34a_100000098417_100011217306 [0,1,0,0,1,0|2,0,0]=4 4236 B14R2.991 FCCOc1ccc2cnoc2c1 7a_100000098417_100011217306 [0,1,0,0,1,0|2,0,0]=4 4237 B14R2.991 FCCOc1ccc2ncsc2c1 34a_100011995850_100011217306 [0,1,0,0,1,0|2,0,0]=4 4238 B14R2.991 FCCOc1ccc2ncsc2c1 7a_100011995850_100011217306 [0,1,0,0,1,0|2,0,0]=4 4239 B14R2.991 FCCOc1ccc2occc2c1 34a_100000070125_100011217306 [0,1,0,0,1,0|1,0,0]=3 4240 B14R2.991 FCCOc1ccc2occc2c1 7a_100000070125_100011217306 [0,1,0,0,1,0|1,0,0]=3 4241 B14R2.991 FCCOc1ccc2sccc2c1 34a_100012180905_100011217306 [0,1,0,0,1,0|1,0,0]=3 4242 B14R2.991 FCCOc1ccc2sccc2c1 7a_100012180905_100011217306 [0,1,0,0,1,0|1,0,0]=3 4243 B14R2.991 FCCOc1ccc2scnc2c1 34a_200009850626_100011217306 [0,1,0,0,1,0|2,0,0]=4 4244 B14R2.991 FCCOc1ccc2scnc2c1 7a_200009850626_100011217306 [0,1,0,0,1,0|2,0,0]=4 4245 B14R2.991 FCCOc1ccn2ccnc2c1 34a_100009863278_100011217306 [0,1,0,0,1,0|2,0,0]=4 4246 B14R2.991 FCCOc1cnc2[nH]ccc2c1 34a_100000087691_100011217306 [0,1,0,0,1,0|2,0,0]=4 4247 B14R2.991 FCCSc1ccc2[nH]ccc2c1 62a_100011217306_100000035808 [0,1,0,0,1,0|1,1,0]=4 4248 B14R2.991 FCCSc1ccc2c(c1)C=CC2 62a_100009814306_100011217306 [0,1,0,0,1,0|0,1,1]=4 4249 B14R2.991 FCCSc1ccc2c(c1)C=CC2 62a_100011217306_100009814306 [0,1,0,0,1,0|0,1,1]=4 4250 B14R2.991 FCCSc1ccc2c(c1)CC=C2 62a_100011217306_200009818231 [0,1,0,0,1,0|0,1,1]=4 4251 B14R2.991 FCCSc1ccc2c(c1)CC=C2 62a_200009818231_100011217306 [0,1,0,0,1,0|0,1,1]=4 4252 B14R2.991 FCCSc1ccc2cc[nH]c2c1 62a_100011217306_100000743809 [0,1,0,0,1,0|1,1,0]=4 4253 B14R2.991 FCCSc1ccc2ccoc2c1 62a_100011217306_100000759542 [0,1,0,0,1,0|1,1,0]=4 4254 B14R2.991 FCCSc1ccc2ccsc2c1 62a_100011217306_100009888917 [0,1,0,0,1,0|1,1,0]=4 4255 B14R2.991 FCCSc1ccc2cscc2c1 62a_100011217306_200010760811 [0,1,0,0,1,0|1,1,0]=4 4256 B14R2.991 FCCSc1ccc2occc2c1 62a_100011217306_100000691453 [0,1,0,0,1,0|1,1,0]=4 4257 B14R2.991 FCCSc1ccc2sccc2c1 62a_100011217306_100009814439 [0,1,0,0,1,0|1,1,0]=4 4258 B14R2.991 FCOCc1ccc2ccoc2c1 34a_200009859634_100015361967 [0,1,0,0,1,0|2,0,0]=4 4259 B14R2.991 FCOCc1ccc2ccoc2c1 7a_200009859634_100015361967 [0,1,0,0,1,0|2,0,0]=4 4260 B14R2.991 FCOCc1ccc2ccsc2c1 34a_100010262773_100015361967 [0,1,0,0,1,0|2,0,0]=4 4261 B14R2.991 FCOCc1ccc2ccsc2c1 7a_100010262773_100015361967 [0,1,0,0,1,0|2,0,0]=4 4262 B14R2.991 FCOCc1ccc2occc2c1 34a_100000067418_100015361967 [0,1,0,0,1,0|2,0,0]=4 4263 B14R2.991 FCOCc1ccc2occc2c1 7a_100000067418_100015361967 [0,1,0,0,1,0|2,0,0]=4 4264 B14R2.991 FCOCc1ccc2sccc2c1 34a_100000068000_100015361967 [0,1,0,0,1,0|2,0,0]=4 4265 B14R2.991 FCOCc1ccc2sccc2c1 7a_100000068000_100015361967 [0,1,0,0,1,0|2,0,0]=4 4266 B14R2.991 N#CCOc1ccc2ccoc2c1 7a_100000089557_100011215382 [0,1,0,0,1,0|1,0,1]=4 4267 B14R2.991 N#CCOc1ccc2occc2c1 7a_100000070125_100011215382 [0,1,0,0,1,0|1,0,1]=4 4268 B14R2.991 N#CCOc1ccc2sccc2c1 7a_100012180905_100011215382 [0,1,0,0,1,0|1,0,1]=4 4269 B14R2.991 O=CCOc1ccc2[nH]ccc2c1 34a_100000756620_200009817547 [0,1,0,0,1,0|1,0,1]=4 4270 B14R2.991 O=CCOc1ccc2cc[nH]c2c1 34a_100000036713_200009817547 [0,1,0,0,1,0|1,0,1]=4 4271 B14R2.991 O=CCOc1ccc2ccoc2c1 34a_100000089557_200009817547 [0,1,0,0,1,0|1,0,1]=4 4272 B14R2.991 O=CCOc1ccc2ccoc2c1 7a_100000089557_200015260668 [0,1,0,0,1,0|1,0,1]=4 4273 B14R2.991 O=CCOc1ccc2occc2c1 34a_100000070125_200009817547 [0,1,0,0,1,0|1,0,1]=4 4274 B14R2.991 O=CCOc1ccc2occc2c1 7a_100000070125_200015260668 [0,1,0,0,1,0|1,0,1]=4 4275 B14R2.991 O=CCOc1ccc2sccc2c1 34a_100012180905_200009817547 [0,1,0,0,1,0|1,0,1]=4 4276 B14R2.991 O=CCOc1ccc2sccc2c1 7a_100012180905_200015260668 [0,1,0,0,1,0|1,0,1]=4 4277 B14R2.991 OCCNc1ccc2ccoc2c1 34a_100000102395_100000211926 [0,1,0,0,1,0|2,0,0]=4 4278 B14R2.991 OCCNc1ccc2occc2c1 34a_106430523501_100000211926 [0,1,0,0,1,0|2,0,0]=4 4279 B14R2.991 OCCNc1ccc2sccc2c1 34a_100000681076_100000211926 [0,1,0,0,1,0|2,0,0]=4 4280 B14R2.991 OCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000211926 [0,1,0,0,1,0|1,0,0]=3 4281 B14R2.991 OCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000211926 [0,1,0,0,1,0|1,0,0]=3 4282 B14R2.991 OCCOc1ccc2ccoc2c1 34a_100000089557_100000211926 [0,1,0,0,1,0|1,0,0]=3 4283 B14R2.991 OCCOc1ccc2ccoc2c1 7a_100000089557_100000211926 [0,1,0,0,1,0|1,0,0]=3 4284 B14R2.991 OCCOc1ccc2cnoc2c1 34a_100000098417_100000211926 [0,1,0,0,1,0|2,0,0]=4 4285 B14R2.991 OCCOc1ccc2cnoc2c1 7a_100000098417_100000211926 [0,1,0,0,1,0|2,0,0]=4 4286 B14R2.991 OCCOc1ccc2ncsc2c1 34a_100011995850_100000211926 [0,1,0,0,1,0|2,0,0]=4 4287 B14R2.991 OCCOc1ccc2ncsc2c1 7a_100011995850_100000211926 [0,1,0,0,1,0|2,0,0]=4 4288 B14R2.991 OCCOc1ccc2occc2c1 34a_100000070125_100000211926 [0,1,0,0,1,0|1,0,0]=3 4289 B14R2.991 OCCOc1ccc2occc2c1 7a_100000070125_100000211926 [0,1,0,0,1,0|1,0,0]=3 4290 B14R2.991 OCCOc1ccc2sccc2c1 34a_100012180905_100000211926 [0,1,0,0,1,0|1,0,0]=3 4291 B14R2.991 OCCOc1ccc2sccc2c1 7a_100012180905_100000211926 [0,1,0,0,1,0|1,0,0]=3 4292 B14R2.991 OCCOc1ccc2scnc2c1 34a_200009850626_100000211926 [0,1,0,0,1,0|2,0,0]=4 4293 B14R2.991 OCCOc1ccc2scnc2c1 7a_200009850626_100000211926 [0,1,0,0,1,0|2,0,0]=4 4294 B14R2.991 OCCOc1ccn2ccnc2c1 34a_100009863278_100000211926 [0,1,0,0,1,0|2,0,0]=4 4295 B14R2.991 OCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000211926 [0,1,0,0,1,0|2,0,0]=4 4296 B14R2.991 OCCSc1ccc2[nH]ccc2c1 62a_100000211926_100000035808 [0,1,0,0,1,0|1,1,0]=4 4297 B14R2.991 OCCSc1ccc2c(c1)C=CC2 62a_100000211926_100009814306 [0,1,0,0,1,0|0,1,1]=4 4298 B14R2.991 OCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000211926 [0,1,0,0,1,0|0,1,1]=4 4299 B14R2.991 OCCSc1ccc2c(c1)CC=C2 62a_100000211926_200009818231 [0,1,0,0,1,0|0,1,1]=4 4300 B14R2.991 OCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000211926 [0,1,0,0,1,0|0,1,1]=4 4301 B14R2.991 OCCSc1ccc2cc[nH]c2c1 62a_100000211926_100000743809 [0,1,0,0,1,0|1,1,0]=4 4302 B14R2.991 OCCSc1ccc2ccoc2c1 62a_100000211926_100000759542 [0,1,0,0,1,0|1,1,0]=4 4303 B14R2.991 OCCSc1ccc2ccsc2c1 62a_100000211926_100009888917 [0,1,0,0,1,0|1,1,0]=4 4304 B14R2.991 OCCSc1ccc2cscc2c1 62a_100000211926_200010760811 [0,1,0,0,1,0|1,1,0]=4 4305 B14R2.991 OCCSc1ccc2occc2c1 62a_100000211926_100000691453 [0,1,0,0,1,0|1,1,0]=4 4306 B14R2.991 OCCSc1ccc2sccc2c1 62a_100000211926_100009814439 [0,1,0,0,1,0|1,1,0]=4 4307 B14R2.991 [13CH3]OCCc1ccc2sccc2c1 34a_100000087132_200025704644 [0,1,0,0,1,0|2,0,0]=4 4308 B14R2.991 [13CH3]OCCc1ccc2sccc2c1 7a_100000087132_200025704644 [0,1,0,0,1,0|2,0,0]=4 4309 B14R2.1008 CC(C)Nc1ccc2ccoc2c1 34a_100000102395_100000210206 [0,1,0,0,1,0|2,0,0]=4 4310 B14R2.1008 CC(C)Nc1ccc2occc2c1 34a_106430523501_100000210206 [0,1,0,0,1,0|2,0,0]=4 4311 B14R2.1008 CC(C)Nc1ccc2sccc2c1 34a_100000681076_100000210206 [0,1,0,0,1,0|2,0,0]=4 4312 B14R2.1008 CC(C)Oc1ccc2[nH]ccc2c1 34a_100000756620_100000210206 [0,1,0,0,1,0|1,0,0]=3 4313 B14R2.1008 CC(C)Oc1ccc2cc[nH]c2c1 34a_100000036713_100000210206 [0,1,0,0,1,0|1,0,0]=3 4314 B14R2.1008 CC(C)Oc1ccc2ccoc2c1 34a_100000089557_100000210206 [0,1,0,0,1,0|1,0,0]=3 4315 B14R2.1008 CC(C)Oc1ccc2ccoc2c1 7a_100000089557_100000210206 [0,1,0,0,1,0|1,0,0]=3 4316 B14R2.1008 CC(C)Oc1ccc2cnoc2c1 34a_100000098417_100000210206 [0,1,0,0,1,0|2,0,0]=4 4317 B14R2.1008 CC(C)Oc1ccc2cnoc2c1 7a_100000098417_100000210206 [0,1,0,0,1,0|2,0,0]=4 4318 B14R2.1008 CC(C)Oc1ccc2ncsc2c1 34a_100011995850_100000210206 [0,1,0,0,1,0|2,0,0]=4 4319 B14R2.1008 CC(C)Oc1ccc2ncsc2c1 7a_100011995850_100000210206 [0,1,0,0,1,0|2,0,0]=4 4320 B14R2.1008 CC(C)Oc1ccc2occc2c1 34a_100000070125_100000210206 [0,1,0,0,1,0|1,0,0]=3 4321 B14R2.1008 CC(C)Oc1ccc2occc2c1 7a_100000070125_100000210206 [0,1,0,0,1,0|1,0,0]=3 4322 B14R2.1008 CC(C)Oc1ccc2sccc2c1 34a_100012180905_100000210206 [0,1,0,0,1,0|1,0,0]=3 4323 B14R2.1008 CC(C)Oc1ccc2sccc2c1 7a_100012180905_100000210206 [0,1,0,0,1,0|1,0,0]=3 4324 B14R2.1008 CC(C)Oc1ccc2scnc2c1 34a_200009850626_100000210206 [0,1,0,0,1,0|2,0,0]=4 4325 B14R2.1008 CC(C)Oc1ccc2scnc2c1 7a_200009850626_100000210206 [0,1,0,0,1,0|2,0,0]=4 4326 B14R2.1008 CC(C)Oc1ccn2ccnc2c1 34a_100009863278_100000210206 [0,1,0,0,1,0|2,0,0]=4 4327 B14R2.1008 CC(C)Oc1cnc2[nH]ccc2c1 34a_100000087691_100000210206 [0,1,0,0,1,0|2,0,0]=4 4328 B14R2.1008 CC(C)Sc1ccc2[nH]ccc2c1 62a_100000210206_100000035808 [0,1,0,0,1,0|1,1,0]=4 4329 B14R2.1008 CC(C)Sc1ccc2c(c1)C=CC2 62a_100000210206_100009814306 [0,1,0,0,1,0|0,1,1]=4 4330 B14R2.1008 CC(C)Sc1ccc2c(c1)C=CC2 62a_100009814306_100000210206 [0,1,0,0,1,0|0,1,1]=4 4331 B14R2.1008 CC(C)Sc1ccc2c(c1)CC=C2 62a_100000210206_200009818231 [0,1,0,0,1,0|0,1,1]=4 4332 B14R2.1008 CC(C)Sc1ccc2c(c1)CC=C2 62a_200009818231_100000210206 [0,1,0,0,1,0|0,1,1]=4 4333 B14R2.1008 CC(C)Sc1ccc2cc[nH]c2c1 62a_100000210206_100000743809 [0,1,0,0,1,0|1,1,0]=4 4334 B14R2.1008 CC(C)Sc1ccc2ccoc2c1 62a_100000210206_100000759542 [0,1,0,0,1,0|1,1,0]=4 4335 B14R2.1008 CC(C)Sc1ccc2ccsc2c1 62a_100000210206_100009888917 [0,1,0,0,1,0|1,1,0]=4 4336 B14R2.1008 CC(C)Sc1ccc2cscc2c1 62a_100000210206_200010760811 [0,1,0,0,1,0|1,1,0]=4 4337 B14R2.1008 CC(C)Sc1ccc2occc2c1 62a_100000210206_100000691453 [0,1,0,0,1,0|1,1,0]=4 4338 B14R2.1008 CC(C)Sc1ccc2sccc2c1 62a_100000210206_100009814439 [0,1,0,0,1,0|1,1,0]=4 4339 B14R2.6400 CCOc1ccc2[nH]c(=O)oc2c1 7a_200000068749_100000210202 [0,1,0,0,1,0|2,0,0]=4 4340 B14R2.6400 CCOc1ccc2[nH]c(cc2c1)C 34a_100000073708_100000210202 [0,1,0,0,1,0|1,0,0]=3 4341 B14R2.6400 CCOc1ccc2[nH]c(cc2c1)C 7a_100000073708_100000210202 [0,1,0,0,1,0|1,0,0]=3 4342 B14R2.6400 CCOc1ccc2c(c1)CC(=O)O2 34a_100000035078_100000210202 [0,1,0,0,1,0|1,0,1]=4 4343 B14R2.6400 CCOc1ccc2c(c1)CC(=O)O2 7a_100000035078_100000210202 [0,1,0,0,1,0|1,0,1]=4 4344 B14R2.6400 CCOc1ccc2cc([nH]c2c1)C 34a_100000058111_100000210202 [0,1,0,0,1,0|1,0,0]=3 4345 B14R2.6400 CCOc1ccc2cc(oc2c1)C 34a_100000095638_100000210202 [0,1,0,0,1,0|1,0,0]=3 4346 B14R2.6400 CCOc1ccc2cc(oc2c1)C 7a_100000095638_100000210202 [0,1,0,0,1,0|1,0,0]=3 4347 B14R2.6400 CCOc1ccc2nc(oc2c1)C 34a_100000116946_100000210202 [0,1,0,0,1,0|2,0,0]=4 4348 B14R2.6400 CCOc1ccc2nc(oc2c1)C 7a_100000116946_100000210202 [0,1,0,0,1,0|2,0,0]=4 4349 B14R2.6400 CCOc1ccc2nc(sc2c1)Br 7a_100010063415_100000210202 [0,1,0,0,1,0|2,0,0]=4 4350 B14R2.6400 CCOc1ccc2nc(sc2c1)C 34a_100000008955_100000210202 [0,1,0,0,1,0|2,0,0]=4 4351 B14R2.6400 CCOc1ccc2nc(sc2c1)C 7a_100000008955_100000210202 [0,1,0,0,1,0|2,0,0]=4 4352 B14R2.6400 CCOc1ccc2nc(sc2c1)N 7a_100000012012_100000210202 [0,1,0,0,1,0|2,0,0]=4 4353 B14R2.6400 CCOc1ccc2nn(cc2c1)C 34a_100000106843_100000210202 [0,1,0,0,1,0|2,0,0]=4 4354 B14R2.6400 CCOc1ccc2oc(nc2c1)C 34a_100000102623_100000210202 [0,1,0,0,1,0|2,0,0]=4 4355 B14R2.6400 CCOc1ccc2oc(nc2c1)C 7a_100000102623_100000210202 [0,1,0,0,1,0|2,0,0]=4 4356 B14R2.6400 CCOc1ccc2oc(nc2c1)Cl 34a_100010673232_100000210202 [0,1,0,0,1,0|2,0,0]=4 4357 B14R2.6400 CCOc1ccc2oc(nc2c1)Cl 7a_100010673232_100000210202 [0,1,0,0,1,0|2,0,0]=4 4358 B14R2.6400 CCOc1ccc2sc(nc2c1)C 34a_100000031546_100000210202 [0,1,0,0,1,0|2,0,0]=4 4359 B14R2.6400 CCOc1ccc2sc(nc2c1)C 7a_100000031546_100000210202 [0,1,0,0,1,0|2,0,0]=4 4360 B14R2.6400 CCOc1ccc2sc(nc2c1)N 7a_100000066538_100000210202 [0,1,0,0,1,0|2,0,0]=4 4361 B14R2.6400 CCOc1ccn2cc(nc2c1)C 34a_106256048495_100000210202 [0,1,0,0,1,0|2,0,0]=4 4362 B14R2.6400 CCSc1ccc2[nH]c(cc2c1)C 62a_100000210202_100011214893 [0,1,0,0,1,0|1,1,0]=4 4363 B14R2.6400 CCSc1ccc2cc([nH]c2c1)C 62a_100000210202_100010196937 [0,1,0,0,1,0|1,1,0]=4 4364 B14R2.6400 CCSc1ccc2sc(cc2c1)C 62a_100000210202_100000695401 [0,1,0,0,1,0|1,1,0]=4 4365 B14R2.6400 CCSc1ccc2sc(cc2c1)C 62a_100000695401_100000210202 [0,1,0,0,1,0|1,1,0]=4 4366 B14R2.6400 Cc1cc2cc(ccc2[nH]1)OCF 34a_100000073708_100015361967 [0,1,0,0,1,0|2,0,0]=4 4367 B14R2.6400 Cc1cc2cc(ccc2[nH]1)OCF 7a_100000073708_100015361967 [0,1,0,0,1,0|2,0,0]=4 4368 B14R2.6400 Cc1cc2ccc(cc2[nH]1)OCF 34a_100000058111_100015361967 [0,1,0,0,1,0|2,0,0]=4 4369 B14R2.6400 Cc1cc2ccc(cc2o1)OCF 34a_100000095638_100015361967 [0,1,0,0,1,0|2,0,0]=4 4370 B14R2.6400 Cc1cc2ccc(cc2o1)OCF 7a_100000095638_100015361967 [0,1,0,0,1,0|2,0,0]=4 4371 B14R2.6412 CC=Cc1ccc2c(c1)C=CC2=O 271570a_100016259895_100010210589 [0,1,0,0,1,0|1,0,1]=4 4372 B14R2.6412 CCNc1ccc2c(c1)ccn2C 34a_100011270241_100000210202 [0,1,0,0,1,0|2,0,0]=4 4373 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 34a_100000708912_100000210202 [0,1,0,0,1,0|0,0,2]=4 4374 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 7a_100000708912_100000210202 [0,1,0,0,1,0|0,0,2]=4 4375 B14R2.6412 CCOc1ccc2c(c1)CNC2=O 34a_100000098542_100000210202 [0,1,0,0,1,0|1,0,1]=4 4376 B14R2.6412 CCOc1ccc2c(c1)COC2=O 7a_100000044543_100000210202 [0,1,0,0,1,0|1,0,1]=4 4377 B14R2.6412 CCOc1ccc2c(c1)cnn2C 34a_100009859523_100000210202 [0,1,0,0,1,0|2,0,0]=4 4378 B14R2.6412 CCOc1ccc2c(c1)cnn2C 7a_100009859523_100000210202 [0,1,0,0,1,0|2,0,0]=4 4379 B14R2.6412 CCOc1ccc2c(c1)ncn2C 34a_100000028553_100000210202 [0,1,0,0,1,0|2,0,0]=4 4380 B14R2.6412 CCOc1ccc2c(noc2c1)C 34a_200000076027_100000210202 [0,1,0,0,1,0|2,0,0]=4 4381 B14R2.6412 CCSc1ccc2c(c1)C=CC2=O 62a_100000210202_100010210589 [0,1,0,0,1,0|0,1,0]=3 4382 B14R2.6412 CCSc1ccc2c(c1)C=CC2=O 62a_100010210589_100000210202 [0,1,0,0,1,0|0,1,0]=3 4383 B14R2.6412 CCSc1ccc2c(c1)ccn2C 62a_100000210202_100011202928 [0,1,0,0,1,0|1,1,0]=4 4384 B14R2.6412 CCSc1ccc2c(c[nH]c2c1)C 62a_100000210202_100010209589 [0,1,0,0,1,0|1,1,0]=4 4385 B14R2.6412 CCSc1ccc2c(coc2c1)C 62a_100000210202_100010775837 [0,1,0,0,1,0|1,1,0]=4 4386 B14R2.6412 O=C1C=Cc2c1ccc(c2)SCF 62a_100010210589_100015361967 [0,1,0,0,1,0|1,1,0]=4 4387 B14R2.6412 O=C1C=Cc2c1ccc(c2)SCF 62a_100015361967_100010210589 [0,1,0,0,1,0|1,1,0]=4 4388 B16R2.1213 CCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000210202 [0,1,0,0,0,1|1,0,0]=3 4389 B16R2.1213 CNC(=O)C1=Cc2ccccc2OC=C1 11a_106832991635_200000089061 [0,1,0,0,0,1|2,0,0]=4 4390 B16R2.1213 CNC(=O)C1=Cc2ccccc2OC=C1 1626a_100102657272_200000089061 [0,1,0,0,0,1|2,0,0]=4 4391 B16R2.1213 CNC(=O)C1=Cc2ccccc2OC=C1 240690a_100102657272_200000089061 [0,1,0,0,0,1|2,0,0]=4 4392 B16R2.1213 O=C(CF)C1=Cc2ccccc2OC=C1 1458a_200000089061_100015361967 [0,1,0,0,0,1|2,0,0]=4 4393 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748629 [0,2,0,0,0,0|1,0,0]=3 4394 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748629 [0,2,0,0,0,0|1,0,0]=3 4395 B16R2.477 C=C(C)CNc1ccc2ccccc2n1 27a_100000765925_100011291633 [0,2,0,0,0,0|2,0,0]=4 4396 B16R2.477 C=C(C)CNc1ccc2cccnc2c1 34a_100102887122_100000748629 [0,2,0,0,0,0|2,0,0]=4 4397 B16R2.477 C=C(C)CNc1ccc2cnccc2c1 34a_100000039641_100000748629 [0,2,0,0,0,0|2,0,0]=4 4398 B16R2.477 C=C(C)CNc1ccc2ncccc2c1 34a_100011198106_100000748629 [0,2,0,0,0,0|2,0,0]=4 4399 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [0,2,0,0,0,0|0,0,0]=2 4400 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [0,2,0,0,0,0|0,0,0]=2 4401 B16R2.477 C=C(C)COc1ccc2cccnc2c1 34a_100011216045_100000748629 [0,2,0,0,0,0|1,0,0]=3 4402 B16R2.477 C=C(C)COc1ccc2ccncc2c1 7a_100000752006_100000748629 [0,2,0,0,0,0|1,0,0]=3 4403 B16R2.477 C=C(C)COc1ccc2cnccc2c1 34a_100000046372_100000748629 [0,2,0,0,0,0|1,0,0]=3 4404 B16R2.477 C=C(C)COc1ccc2cnccc2c1 7a_100000046372_100000748629 [0,2,0,0,0,0|1,0,0]=3 4405 B16R2.477 C=C(C)COc1ccc2ncccc2c1 34a_100011215586_100000748629 [0,2,0,0,0,0|1,0,0]=3 4406 B16R2.477 C=C(C)COc1ccc2ncccc2c1 7a_100011215586_100000748629 [0,2,0,0,0,0|1,0,0]=3 4407 B16R2.477 C=C(C)COc1ccc2nccnc2c1 34a_100000694412_100000748629 [0,2,0,0,0,0|2,0,0]=4 4408 B16R2.477 C=C(C)COc1cnc2ccccc2c1 34a_100011934006_100000748629 [0,2,0,0,0,0|1,0,0]=3 4409 B16R2.477 C=C(C)COc1cnc2ccccc2c1 7a_100011934006_100000748629 [0,2,0,0,0,0|1,0,0]=3 4410 B16R2.477 C=C(C)CSc1cc2ccccc2cn1 62a_100000748629_100000047361 [0,2,0,0,0,0|1,1,0]=4 4411 B16R2.477 C=C(C)CSc1cc2ccccc2cn1 62a_100009816522_100000211660 [0,2,0,0,0,0|1,1,0]=4 4412 B16R2.477 C=C(C)CSc1ccc2ccccc2c1 62a_100000748629_100000233703 [0,2,0,0,0,0|0,1,0]=3 4413 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100000748629_100011291633 [0,2,0,0,0,0|1,1,0]=4 4414 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100011291633_100000211660 [0,2,0,0,0,0|1,1,0]=4 4415 B16R2.477 C=C(C)CSc1ccc2cccnc2c1 62a_100000748629_100009816655 [0,2,0,0,0,0|1,1,0]=4 4416 B16R2.477 C=C(C)CSc1ccc2ccncc2c1 62a_100000686496_100000211660 [0,2,0,0,0,0|1,1,0]=4 4417 B16R2.477 C=C(C)CSc1ccc2ccncc2c1 62a_100000748629_100000686496 [0,2,0,0,0,0|1,1,0]=4 4418 B16R2.477 C=C(C)CSc1ccc2cnccc2c1 62a_100000748629_100009816743 [0,2,0,0,0,0|1,1,0]=4 4419 B16R2.477 C=C(C)CSc1ccc2cnccc2c1 62a_100009816743_100000211660 [0,2,0,0,0,0|1,1,0]=4 4420 B16R2.477 C=C(C)CSc1ccc2ncccc2c1 62a_100000748629_100011215947 [0,2,0,0,0,0|1,1,0]=4 4421 B16R2.477 C=C(C)CSc1ccc2ncccc2c1 62a_100011215947_100000211660 [0,2,0,0,0,0|1,1,0]=4 4422 B16R2.477 C=C(C)CSc1cnc2ccccc2c1 62a_100000748629_100000737414 [0,2,0,0,0,0|1,1,0]=4 4423 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 34a_100000211940_100009893438 [0,2,0,0,0,0|1,0,1]=4 4424 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 7a_100000211940_100000042424 [0,2,0,0,0,0|1,0,1]=4 4425 B16R2.477 C=C(F)COc1ccc2ccccc2c1 34a_100000185828_100009893438 [0,2,0,0,0,0|0,0,1]=3 4426 B16R2.477 C=C(F)COc1ccc2ccccc2c1 7a_100000185828_100000042424 [0,2,0,0,0,0|0,0,1]=3 4427 B16R2.477 C=C(F)COc1ccc2cccnc2c1 34a_100011216045_100009893438 [0,2,0,0,0,0|1,0,1]=4 4428 B16R2.477 C=C(F)COc1ccc2ccncc2c1 7a_100000752006_100000042424 [0,2,0,0,0,0|1,0,1]=4 4429 B16R2.477 C=C(F)COc1ccc2cnccc2c1 34a_100000046372_100009893438 [0,2,0,0,0,0|1,0,1]=4 4430 B16R2.477 C=C(F)COc1ccc2cnccc2c1 7a_100000046372_100000042424 [0,2,0,0,0,0|1,0,1]=4 4431 B16R2.477 C=C(F)COc1ccc2ncccc2c1 34a_100011215586_100009893438 [0,2,0,0,0,0|1,0,1]=4 4432 B16R2.477 C=C(F)COc1ccc2ncccc2c1 7a_100011215586_100000042424 [0,2,0,0,0,0|1,0,1]=4 4433 B16R2.477 C=C(F)COc1cnc2ccccc2c1 34a_100011934006_100009893438 [0,2,0,0,0,0|1,0,1]=4 4434 B16R2.477 C=C(F)COc1cnc2ccccc2c1 7a_100011934006_100000042424 [0,2,0,0,0,0|1,0,1]=4 4435 B16R2.477 C=C(F)CSc1ccc2ccccc2c1 62a_100000042424_100000233703 [0,2,0,0,0,0|0,1,1]=4 4436 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,2,0,0,0,0|1,0,0]=3 4437 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,2,0,0,0,0|0,0,0]=2 4438 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [0,2,0,0,0,0|0,1,0]=3 4439 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [0,2,0,0,0,0|1,0,1]=4 4440 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [0,2,0,0,0,0|1,0,1]=4 4441 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [0,2,0,0,0,0|1,0,1]=4 4442 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [0,2,0,0,0,0|1,0,1]=4 4443 B16R2.477 CC(=O)NNc1ccc2ccccc2c1 22a_100016987534_100000070787 [0,2,0,0,0,0|1,0,1]=4 4444 B16R2.477 CC(C)C=Cc1cc2ccccc2cn1 271570a_100016257149_100000047361 [0,2,0,0,0,0|2,0,0]=4 4445 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [0,2,0,0,0,0|1,0,0]=3 4446 B16R2.477 CC(C)C=Cc1ccc2ccccc2n1 271570a_100016257149_100011291633 [0,2,0,0,0,0|2,0,0]=4 4447 B16R2.477 CC(C)C=Cc1ccc2cccnc2c1 271570a_100016257149_100009816655 [0,2,0,0,0,0|2,0,0]=4 4448 B16R2.477 CC(C)C=Cc1ccc2ccncc2c1 271570a_100016257149_100000686496 [0,2,0,0,0,0|2,0,0]=4 4449 B16R2.477 CC(C)C=Cc1ccc2cnccc2c1 271570a_100016257149_100009816743 [0,2,0,0,0,0|2,0,0]=4 4450 B16R2.477 CC(C)C=Cc1ccc2ncccc2c1 271570a_100016257149_100000754243 [0,2,0,0,0,0|2,0,0]=4 4451 B16R2.477 CC(C)C=Cc1cnc2ccccc2c1 271570a_100016257149_100000737414 [0,2,0,0,0,0|2,0,0]=4 4452 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,2,0,0,0,0|1,0,0]=3 4453 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,2,0,0,0,0|1,0,0]=3 4454 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,2,0,0,0,0|2,0,0]=4 4455 B16R2.477 CC(C)CNc1ccc2cccnc2c1 34a_100102887122_100000210624 [0,2,0,0,0,0|2,0,0]=4 4456 B16R2.477 CC(C)CNc1ccc2cnccc2c1 34a_100000039641_100000210624 [0,2,0,0,0,0|2,0,0]=4 4457 B16R2.477 CC(C)CNc1ccc2ncccc2c1 34a_100011198106_100000210624 [0,2,0,0,0,0|2,0,0]=4 4458 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,2,0,0,0,0|0,0,0]=2 4459 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,2,0,0,0,0|0,0,0]=2 4460 B16R2.477 CC(C)COc1ccc2cccnc2c1 34a_100011216045_100000210624 [0,2,0,0,0,0|1,0,0]=3 4461 B16R2.477 CC(C)COc1ccc2ccncc2c1 7a_100000752006_100000210760 [0,2,0,0,0,0|1,0,0]=3 4462 B16R2.477 CC(C)COc1ccc2cnccc2c1 34a_100000046372_100000210624 [0,2,0,0,0,0|1,0,0]=3 4463 B16R2.477 CC(C)COc1ccc2cnccc2c1 7a_100000046372_100000210760 [0,2,0,0,0,0|1,0,0]=3 4464 B16R2.477 CC(C)COc1ccc2ncccc2c1 34a_100011215586_100000210624 [0,2,0,0,0,0|1,0,0]=3 4465 B16R2.477 CC(C)COc1ccc2ncccc2c1 7a_100011215586_100000210760 [0,2,0,0,0,0|1,0,0]=3 4466 B16R2.477 CC(C)COc1ccc2nccnc2c1 34a_100000694412_100000210624 [0,2,0,0,0,0|2,0,0]=4 4467 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [0,2,0,0,0,0|1,0,0]=3 4468 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [0,2,0,0,0,0|1,0,0]=3 4469 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100000210624_100000047361 [0,2,0,0,0,0|1,1,0]=4 4470 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100009816522_100000210760 [0,2,0,0,0,0|1,1,0]=4 4471 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,2,0,0,0,0|0,1,0]=3 4472 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [0,2,0,0,0,0|1,1,0]=4 4473 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [0,2,0,0,0,0|1,1,0]=4 4474 B16R2.477 CC(C)CSc1ccc2cccnc2c1 62a_100000210624_100009816655 [0,2,0,0,0,0|1,1,0]=4 4475 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000210624_100000686496 [0,2,0,0,0,0|1,1,0]=4 4476 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000686496_100000210760 [0,2,0,0,0,0|1,1,0]=4 4477 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100000210624_100009816743 [0,2,0,0,0,0|1,1,0]=4 4478 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100009816743_100000210760 [0,2,0,0,0,0|1,1,0]=4 4479 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100000210624_100011215947 [0,2,0,0,0,0|1,1,0]=4 4480 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100011215947_100000210760 [0,2,0,0,0,0|1,1,0]=4 4481 B16R2.477 CC(C)CSc1cnc2ccccc2c1 62a_100000210624_100000737414 [0,2,0,0,0,0|1,1,0]=4 4482 B16R2.477 CC(C)NCc1cc2ccccc2cn1 207a_100138425928_100000059776 [0,2,0,0,0,0|2,0,0]=4 4483 B16R2.477 CC(C)NCc1cc2ccccc2cn1 2230a_100138425928_100009869231 [0,2,0,0,0,0|2,0,0]=4 4484 B16R2.477 CC(C)NCc1cc2ccccc2cn1 34a_100138425928_100009869231 [0,2,0,0,0,0|2,0,0]=4 4485 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [0,2,0,0,0,0|1,0,0]=3 4486 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [0,2,0,0,0,0|1,0,0]=3 4487 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [0,2,0,0,0,0|1,0,0]=3 4488 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [0,2,0,0,0,0|1,0,0]=3 4489 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [0,2,0,0,0,0|1,0,0]=3 4490 B16R2.477 CC(C)NCc1ccc2ccccc2n1 207a_100138425928_100000759686 [0,2,0,0,0,0|2,0,0]=4 4491 B16R2.477 CC(C)NCc1ccc2ccccc2n1 2230a_100138425928_100000737579 [0,2,0,0,0,0|2,0,0]=4 4492 B16R2.477 CC(C)NCc1ccc2ccccc2n1 34a_100138425928_100000737579 [0,2,0,0,0,0|2,0,0]=4 4493 B16R2.477 CC(C)NCc1ccc2cccnc2c1 207a_100138425928_100011784159 [0,2,0,0,0,0|2,0,0]=4 4494 B16R2.477 CC(C)NCc1ccc2cnccc2c1 207a_100138425928_100000068276 [0,2,0,0,0,0|2,0,0]=4 4495 B16R2.477 CC(C)NCc1ccc2cnccc2c1 2230a_100138425928_100020605334 [0,2,0,0,0,0|2,0,0]=4 4496 B16R2.477 CC(C)NCc1ccc2cnccc2c1 34a_100138425928_100020605334 [0,2,0,0,0,0|2,0,0]=4 4497 B16R2.477 CC(C)NCc1ccc2ncccc2c1 207a_100138425928_100000211315 [0,2,0,0,0,0|2,0,0]=4 4498 B16R2.477 CC(C)NCc1ccc2ncccc2c1 2230a_100138425928_100000703657 [0,2,0,0,0,0|2,0,0]=4 4499 B16R2.477 CC(C)NCc1ccc2ncccc2c1 34a_100000238500_100000210206 [0,2,0,0,0,0|2,0,0]=4 4500 B16R2.477 CC(C)NCc1ccc2ncccc2c1 34a_100138425928_100000703657 [0,2,0,0,0,0|2,0,0]=4 4501 B16R2.477 CC(C)NCc1cnc2ccccc2c1 207a_100138425928_100000750898 [0,2,0,0,0,0|2,0,0]=4 4502 B16R2.477 CC(C)NCc1cnc2ccccc2c1 34a_100000742225_100000210206 [0,2,0,0,0,0|2,0,0]=4 4503 B16R2.477 CC(C)OCc1cc2ccccc2cn1 34a_100000212225_100009869231 [0,2,0,0,0,0|1,0,0]=3 4504 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [0,2,0,0,0,0|0,0,0]=2 4505 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [0,2,0,0,0,0|0,0,0]=2 4506 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [0,2,0,0,0,0|0,0,0]=2 4507 B16R2.477 CC(C)OCc1ccc2ccccc2n1 34a_100000212225_100000737579 [0,2,0,0,0,0|1,0,0]=3 4508 B16R2.477 CC(C)OCc1ccc2cnccc2c1 34a_100000212225_100020605334 [0,2,0,0,0,0|1,0,0]=3 4509 B16R2.477 CC(C)OCc1ccc2ncccc2c1 34a_100000212225_100000703657 [0,2,0,0,0,0|1,0,0]=3 4510 B16R2.477 CC(C)OCc1ccc2ncccc2c1 34a_100011315636_100000210206 [0,2,0,0,0,0|1,0,0]=3 4511 B16R2.477 CC(C)OCc1cnc2ccccc2c1 34a_100011258773_100000210206 [0,2,0,0,0,0|1,0,0]=3 4512 B16R2.477 CC(C)OCc1ncc2ccccc2n1 34a_100000212225_100009868571 [0,2,0,0,0,0|2,0,0]=4 4513 B16R2.477 CC(C)SCc1cc2ccccc2cn1 62a_100000210206_100009869231 [0,2,0,0,0,0|1,1,0]=4 4514 B16R2.477 CC(C)SCc1cc2ccccc2cn1 62a_100009869231_100000210206 [0,2,0,0,0,0|1,1,0]=4 4515 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [0,2,0,0,0,0|0,1,0]=3 4516 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [0,2,0,0,0,0|0,1,0]=3 4517 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000210206_100000737579 [0,2,0,0,0,0|1,1,0]=4 4518 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000210206 [0,2,0,0,0,0|1,1,0]=4 4519 B16R2.477 CC(C)SCc1ccc2cnccc2c1 62a_100000210206_100020605334 [0,2,0,0,0,0|1,1,0]=4 4520 B16R2.477 CC(C)SCc1ccc2cnccc2c1 62a_100020605334_100000210206 [0,2,0,0,0,0|1,1,0]=4 4521 B16R2.477 CC(C)SCc1ccc2ncccc2c1 62a_100000210206_100000703657 [0,2,0,0,0,0|1,1,0]=4 4522 B16R2.477 CC(C)SCc1ccc2ncccc2c1 62a_100000703657_100000210206 [0,2,0,0,0,0|1,1,0]=4 4523 B16R2.477 CC(O)C=Cc1cc2ccccc2cn1 271570a_200011019289_100000047361 [0,2,0,0,0,0|2,0,0]=4 4524 B16R2.477 CC(O)C=Cc1ccc2ccccc2c1 271570a_200011019289_100000233703 [0,2,0,0,0,0|1,0,0]=3 4525 B16R2.477 CC(O)C=Cc1ccc2ccccc2n1 271570a_200011019289_100011291633 [0,2,0,0,0,0|2,0,0]=4 4526 B16R2.477 CC(O)C=Cc1ccc2cccnc2c1 271570a_200011019289_100009816655 [0,2,0,0,0,0|2,0,0]=4 4527 B16R2.477 CC(O)C=Cc1ccc2ccncc2c1 271570a_200011019289_100000686496 [0,2,0,0,0,0|2,0,0]=4 4528 B16R2.477 CC(O)C=Cc1ccc2cnccc2c1 271570a_200011019289_100009816743 [0,2,0,0,0,0|2,0,0]=4 4529 B16R2.477 CC(O)C=Cc1ccc2ncccc2c1 271570a_200011019289_100000754243 [0,2,0,0,0,0|2,0,0]=4 4530 B16R2.477 CC(O)C=Cc1cnc2ccccc2c1 271570a_200011019289_100000737414 [0,2,0,0,0,0|2,0,0]=4 4531 B16R2.477 CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218427 [0,2,0,0,0,0|1,0,0]=3 4532 B16R2.477 CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218427 [0,2,0,0,0,0|1,0,0]=3 4533 B16R2.477 CC(O)CNc1ccc2ccccc2n1 27a_100000210904_100011291633 [0,2,0,0,0,0|2,0,0]=4 4534 B16R2.477 CC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011218427 [0,2,0,0,0,0|2,0,0]=4 4535 B16R2.477 CC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011218427 [0,2,0,0,0,0|2,0,0]=4 4536 B16R2.477 CC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011218427 [0,2,0,0,0,0|2,0,0]=4 4537 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,2,0,0,0,0|0,0,0]=2 4538 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,2,0,0,0,0|0,0,0]=2 4539 B16R2.477 CC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218427 [0,2,0,0,0,0|1,0,0]=3 4540 B16R2.477 CC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218427 [0,2,0,0,0,0|1,0,0]=3 4541 B16R2.477 CC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218427 [0,2,0,0,0,0|1,0,0]=3 4542 B16R2.477 CC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218427 [0,2,0,0,0,0|1,0,0]=3 4543 B16R2.477 CC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218427 [0,2,0,0,0,0|1,0,0]=3 4544 B16R2.477 CC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218427 [0,2,0,0,0,0|1,0,0]=3 4545 B16R2.477 CC(O)COc1ccc2nccnc2c1 34a_100000694412_100011218427 [0,2,0,0,0,0|2,0,0]=4 4546 B16R2.477 CC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218427 [0,2,0,0,0,0|1,0,0]=3 4547 B16R2.477 CC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218427 [0,2,0,0,0,0|1,0,0]=3 4548 B16R2.477 CC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011218427 [0,2,0,0,0,0|1,1,0]=4 4549 B16R2.477 CC(O)CSc1cc2ccccc2cn1 62a_100011218427_100000047361 [0,2,0,0,0,0|1,1,0]=4 4550 B16R2.477 CC(O)CSc1ccc2ccccc2c1 62a_100011218427_100000233703 [0,2,0,0,0,0|0,1,0]=3 4551 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011218427_100011291633 [0,2,0,0,0,0|1,1,0]=4 4552 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218427 [0,2,0,0,0,0|1,1,0]=4 4553 B16R2.477 CC(O)CSc1ccc2cccnc2c1 62a_100011218427_100009816655 [0,2,0,0,0,0|1,1,0]=4 4554 B16R2.477 CC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011218427 [0,2,0,0,0,0|1,1,0]=4 4555 B16R2.477 CC(O)CSc1ccc2ccncc2c1 62a_100011218427_100000686496 [0,2,0,0,0,0|1,1,0]=4 4556 B16R2.477 CC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011218427 [0,2,0,0,0,0|1,1,0]=4 4557 B16R2.477 CC(O)CSc1ccc2cnccc2c1 62a_100011218427_100009816743 [0,2,0,0,0,0|1,1,0]=4 4558 B16R2.477 CC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011218427 [0,2,0,0,0,0|1,1,0]=4 4559 B16R2.477 CC(O)CSc1ccc2ncccc2c1 62a_100011218427_100011215947 [0,2,0,0,0,0|1,1,0]=4 4560 B16R2.477 CC(O)CSc1cnc2ccccc2c1 62a_100011218427_100000737414 [0,2,0,0,0,0|1,1,0]=4 4561 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009817552 [0,2,0,0,0,0|1,0,0]=3 4562 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009817552 [0,2,0,0,0,0|1,0,0]=3 4563 B16R2.477 C[C@@H](O)CNc1ccc2cccnc2c1 34a_100102887122_100009817552 [0,2,0,0,0,0|2,0,0]=4 4564 B16R2.477 C[C@@H](O)CNc1ccc2cnccc2c1 34a_100000039641_100009817552 [0,2,0,0,0,0|2,0,0]=4 4565 B16R2.477 C[C@@H](O)CNc1ccc2ncccc2c1 34a_100011198106_100009817552 [0,2,0,0,0,0|2,0,0]=4 4566 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,2,0,0,0,0|0,0,0]=2 4567 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,2,0,0,0,0|0,0,0]=2 4568 B16R2.477 C[C@@H](O)COc1ccc2cccnc2c1 34a_100011216045_100009817552 [0,2,0,0,0,0|1,0,0]=3 4569 B16R2.477 C[C@@H](O)COc1ccc2ccncc2c1 7a_100000752006_100009817552 [0,2,0,0,0,0|1,0,0]=3 4570 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 34a_100000046372_100009817552 [0,2,0,0,0,0|1,0,0]=3 4571 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 7a_100000046372_100009817552 [0,2,0,0,0,0|1,0,0]=3 4572 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 34a_100011215586_100009817552 [0,2,0,0,0,0|1,0,0]=3 4573 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 7a_100011215586_100009817552 [0,2,0,0,0,0|1,0,0]=3 4574 B16R2.477 C[C@@H](O)COc1ccc2nccnc2c1 34a_100000694412_100009817552 [0,2,0,0,0,0|2,0,0]=4 4575 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 34a_100011934006_100009817552 [0,2,0,0,0,0|1,0,0]=3 4576 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 7a_100011934006_100009817552 [0,2,0,0,0,0|1,0,0]=3 4577 B16R2.477 C[C@@H](O)CSc1cc2ccccc2cn1 62a_100009816522_100009817552 [0,2,0,0,0,0|1,1,0]=4 4578 B16R2.477 C[C@@H](O)CSc1cc2ccccc2cn1 62a_100009817552_100000047361 [0,2,0,0,0,0|1,1,0]=4 4579 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2c1 62a_100009817552_100000233703 [0,2,0,0,0,0|0,1,0]=3 4580 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100009817552_100011291633 [0,2,0,0,0,0|1,1,0]=4 4581 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009817552 [0,2,0,0,0,0|1,1,0]=4 4582 B16R2.477 C[C@@H](O)CSc1ccc2cccnc2c1 62a_100009817552_100009816655 [0,2,0,0,0,0|1,1,0]=4 4583 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2c1 62a_100000686496_100009817552 [0,2,0,0,0,0|1,1,0]=4 4584 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2c1 62a_100009817552_100000686496 [0,2,0,0,0,0|1,1,0]=4 4585 B16R2.477 C[C@@H](O)CSc1ccc2cnccc2c1 62a_100009816743_100009817552 [0,2,0,0,0,0|1,1,0]=4 4586 B16R2.477 C[C@@H](O)CSc1ccc2cnccc2c1 62a_100009817552_100009816743 [0,2,0,0,0,0|1,1,0]=4 4587 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2c1 62a_100009817552_100011215947 [0,2,0,0,0,0|1,1,0]=4 4588 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2c1 62a_100011215947_100009817552 [0,2,0,0,0,0|1,1,0]=4 4589 B16R2.477 C[C@@H](O)CSc1cnc2ccccc2c1 62a_100009817552_100000737414 [0,2,0,0,0,0|1,1,0]=4 4590 B16R2.477 FC(F)CNc1ccc2ccccc2c1 34a_100000211940_100011934356 [0,2,0,0,0,0|1,0,0]=3 4591 B16R2.477 FC(F)CNc1ccc2ccccc2c1 7a_100000211940_100011934356 [0,2,0,0,0,0|1,0,0]=3 4592 B16R2.477 FC(F)CNc1ccc2ccccc2n1 27a_100000765723_100011291633 [0,2,0,0,0,0|2,0,0]=4 4593 B16R2.477 FC(F)CNc1ccc2cccnc2c1 34a_100102887122_100011934356 [0,2,0,0,0,0|2,0,0]=4 4594 B16R2.477 FC(F)CNc1ccc2cnccc2c1 34a_100000039641_100011934356 [0,2,0,0,0,0|2,0,0]=4 4595 B16R2.477 FC(F)CNc1ccc2ncccc2c1 34a_100011198106_100011934356 [0,2,0,0,0,0|2,0,0]=4 4596 B16R2.477 FC(F)COc1ccc2ccccc2c1 34a_100000185828_100011934356 [0,2,0,0,0,0|0,0,0]=2 4597 B16R2.477 FC(F)COc1ccc2ccccc2c1 7a_100000185828_100011934356 [0,2,0,0,0,0|0,0,0]=2 4598 B16R2.477 FC(F)COc1ccc2cccnc2c1 34a_100011216045_100011934356 [0,2,0,0,0,0|1,0,0]=3 4599 B16R2.477 FC(F)COc1ccc2ccncc2c1 7a_100000752006_100011934356 [0,2,0,0,0,0|1,0,0]=3 4600 B16R2.477 FC(F)COc1ccc2cnccc2c1 34a_100000046372_100011934356 [0,2,0,0,0,0|1,0,0]=3 4601 B16R2.477 FC(F)COc1ccc2cnccc2c1 7a_100000046372_100011934356 [0,2,0,0,0,0|1,0,0]=3 4602 B16R2.477 FC(F)COc1ccc2ncccc2c1 34a_100011215586_100011934356 [0,2,0,0,0,0|1,0,0]=3 4603 B16R2.477 FC(F)COc1ccc2ncccc2c1 7a_100011215586_100011934356 [0,2,0,0,0,0|1,0,0]=3 4604 B16R2.477 FC(F)COc1ccc2nccnc2c1 34a_100000694412_100011934356 [0,2,0,0,0,0|2,0,0]=4 4605 B16R2.477 FC(F)COc1cnc2ccccc2c1 34a_100011934006_100011934356 [0,2,0,0,0,0|1,0,0]=3 4606 B16R2.477 FC(F)COc1cnc2ccccc2c1 7a_100011934006_100011934356 [0,2,0,0,0,0|1,0,0]=3 4607 B16R2.477 FC(F)CSc1cc2ccccc2cn1 62a_100009816522_100011934356 [0,2,0,0,0,0|1,1,0]=4 4608 B16R2.477 FC(F)CSc1cc2ccccc2cn1 62a_100011934356_100000047361 [0,2,0,0,0,0|1,1,0]=4 4609 B16R2.477 FC(F)CSc1ccc2ccccc2c1 62a_100011934356_100000233703 [0,2,0,0,0,0|0,1,0]=3 4610 B16R2.477 FC(F)CSc1ccc2ccccc2n1 62a_100011291633_100011934356 [0,2,0,0,0,0|1,1,0]=4 4611 B16R2.477 FC(F)CSc1ccc2ccccc2n1 62a_100011934356_100011291633 [0,2,0,0,0,0|1,1,0]=4 4612 B16R2.477 FC(F)CSc1ccc2cccnc2c1 62a_100011934356_100009816655 [0,2,0,0,0,0|1,1,0]=4 4613 B16R2.477 FC(F)CSc1ccc2ccncc2c1 62a_100000686496_100011934356 [0,2,0,0,0,0|1,1,0]=4 4614 B16R2.477 FC(F)CSc1ccc2ccncc2c1 62a_100011934356_100000686496 [0,2,0,0,0,0|1,1,0]=4 4615 B16R2.477 FC(F)CSc1ccc2cnccc2c1 62a_100009816743_100011934356 [0,2,0,0,0,0|1,1,0]=4 4616 B16R2.477 FC(F)CSc1ccc2cnccc2c1 62a_100011934356_100009816743 [0,2,0,0,0,0|1,1,0]=4 4617 B16R2.477 FC(F)CSc1ccc2ncccc2c1 62a_100011215947_100011934356 [0,2,0,0,0,0|1,1,0]=4 4618 B16R2.477 FC(F)CSc1ccc2ncccc2c1 62a_100011934356_100011215947 [0,2,0,0,0,0|1,1,0]=4 4619 B16R2.477 FC(F)CSc1cnc2ccccc2c1 62a_100011934356_100000737414 [0,2,0,0,0,0|1,1,0]=4 4620 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000187820 [0,2,0,0,0,0|1,0,1]=4 4621 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000187820 [0,2,0,0,0,0|1,0,1]=4 4622 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,2,0,0,0,0|0,0,1]=3 4623 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,2,0,0,0,0|0,0,1]=3 4624 B16R2.477 NC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000187820 [0,2,0,0,0,0|1,0,1]=4 4625 B16R2.477 NC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000187820 [0,2,0,0,0,0|1,0,1]=4 4626 B16R2.477 NC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000187820 [0,2,0,0,0,0|1,0,1]=4 4627 B16R2.477 NC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000187820 [0,2,0,0,0,0|1,0,1]=4 4628 B16R2.477 NC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000187820 [0,2,0,0,0,0|1,0,1]=4 4629 B16R2.477 NC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000187820 [0,2,0,0,0,0|1,0,1]=4 4630 B16R2.477 NC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000187820 [0,2,0,0,0,0|1,0,1]=4 4631 B16R2.477 NC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000187820 [0,2,0,0,0,0|1,0,1]=4 4632 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 62a_100000747473_100000233703 [0,2,0,0,0,0|0,1,1]=4 4633 B16R2.477 O=C([O-])CNc1ccc2ccccc2c1 34a_100000211940_100020667443 [0,2,0,0,0,0|1,0,1]=4 4634 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,2,0,0,0,0|0,0,1]=3 4635 B16R2.477 O=C([O-])COc1ccc2cccnc2c1 34a_100011216045_100020667443 [0,2,0,0,0,0|1,0,1]=4 4636 B16R2.477 O=C([O-])COc1ccc2cnccc2c1 34a_100000046372_100020667443 [0,2,0,0,0,0|1,0,1]=4 4637 B16R2.477 O=C([O-])COc1ccc2ncccc2c1 34a_100011215586_100020667443 [0,2,0,0,0,0|1,0,1]=4 4638 B16R2.477 O=C([O-])COc1cnc2ccccc2c1 34a_100011934006_100020667443 [0,2,0,0,0,0|1,0,1]=4 4639 B16R2.477 O=C([O-])CSc1ccc2ccccc2c1 62a_100020667443_100000233703 [0,2,0,0,0,0|0,1,1]=4 4640 B16R2.477 O=[N+]([O-])CNc1ccc2ccccc2c1 34a_100000211940_100000761209 [0,2,0,0,0,0|2,0,0]=4 4641 B16R2.477 O=[N+]([O-])COc1ccc2ccccc2c1 34a_100000185828_100000761209 [0,2,0,0,0,0|1,0,0]=3 4642 B16R2.477 O=[N+]([O-])COc1ccc2cccnc2c1 34a_100011216045_100000761209 [0,2,0,0,0,0|2,0,0]=4 4643 B16R2.477 O=[N+]([O-])COc1ccc2cnccc2c1 34a_100000046372_100000761209 [0,2,0,0,0,0|2,0,0]=4 4644 B16R2.477 O=[N+]([O-])COc1ccc2ncccc2c1 34a_100011215586_100000761209 [0,2,0,0,0,0|2,0,0]=4 4645 B16R2.477 O=[N+]([O-])COc1cnc2ccccc2c1 34a_100011934006_100000761209 [0,2,0,0,0,0|2,0,0]=4 4646 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,2,0,0,0,0|1,0,0]=3 4647 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,2,0,0,0,0|0,0,0]=2 4648 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [0,2,0,0,0,0|0,1,0]=3 4649 B16R2.767 C#CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000184674 [0,2,0,0,0,0|1,0,1]=4 4650 B16R2.767 C#CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000038162 [0,2,0,0,0,0|1,0,1]=4 4651 B16R2.767 C#CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000184674 [0,2,0,0,0,0|1,0,1]=4 4652 B16R2.767 C=CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210623 [0,2,0,0,0,0|1,0,1]=4 4653 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210623 [0,2,0,0,0,0|1,0,1]=4 4654 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210623 [0,2,0,0,0,0|1,0,1]=4 4655 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 34a_100000181211_100015514636 [0,2,0,0,0,0|1,0,1]=4 4656 B16R2.767 CC(OCF)c1ccc2ccccc2c1 34a_100011215343_100015361967 [0,2,0,0,0,0|1,0,0]=3 4657 B16R2.767 CC(OCF)c1ccc2ccccc2c1 7a_100011215343_100015361967 [0,2,0,0,0,0|1,0,0]=3 4658 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210303 [0,2,0,0,0,0|1,0,0]=3 4659 B16R2.767 CCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210303 [0,2,0,0,0,0|2,0,0]=4 4660 B16R2.767 CCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210303 [0,2,0,0,0,0|2,0,0]=4 4661 B16R2.767 CCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210303 [0,2,0,0,0,0|2,0,0]=4 4662 B16R2.767 CCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210303 [0,2,0,0,0,0|2,0,0]=4 4663 B16R2.767 CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210303 [0,2,0,0,0,0|1,0,0]=3 4664 B16R2.767 CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210303 [0,2,0,0,0,0|1,0,0]=3 4665 B16R2.767 CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210303 [0,2,0,0,0,0|1,0,0]=3 4666 B16R2.767 CCCN(C)c1ccc2ccccc2n1 27a_100000747261_100011291633 [0,2,0,0,0,0|2,0,0]=4 4667 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 11a_100015525214_100000210637 [0,2,0,0,0,0|1,0,0]=3 4668 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 240690a_100015525214_100000210637 [0,2,0,0,0,0|1,0,0]=3 4669 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 527a_100015525214_100000210637 [0,2,0,0,0,0|1,0,0]=3 4670 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 11a_100015525214_100011933907 [0,2,0,0,0,0|2,0,0]=4 4671 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 240690a_100015525214_100011933907 [0,2,0,0,0,0|2,0,0]=4 4672 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 527a_100015525214_100011933907 [0,2,0,0,0,0|2,0,0]=4 4673 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 11a_100015525214_100000070124 [0,2,0,0,0,0|2,0,0]=4 4674 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 240690a_100015525214_100000070124 [0,2,0,0,0,0|2,0,0]=4 4675 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 527a_100015525214_100000070124 [0,2,0,0,0,0|2,0,0]=4 4676 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 11a_100015525214_100011935275 [0,2,0,0,0,0|2,0,0]=4 4677 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 240690a_100015525214_100011935275 [0,2,0,0,0,0|2,0,0]=4 4678 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 527a_100015525214_100011935275 [0,2,0,0,0,0|2,0,0]=4 4679 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 11a_100015525214_100011216044 [0,2,0,0,0,0|2,0,0]=4 4680 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 240690a_100015525214_100011216044 [0,2,0,0,0,0|2,0,0]=4 4681 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 527a_100015525214_100011216044 [0,2,0,0,0,0|2,0,0]=4 4682 B16R2.767 CCNC(C)c1cc2ccccc2cn1 269862a_100015525214_200000084103 [0,2,0,0,0,0|2,0,0]=4 4683 B16R2.767 CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210202 [0,2,0,0,0,0|1,0,0]=3 4684 B16R2.767 CCNC(C)c1ccc2ccccc2c1 269862a_100015525214_100000210793 [0,2,0,0,0,0|1,0,0]=3 4685 B16R2.767 CCNC(C)c1ccc2ccccc2n1 269862a_100015525214_100000684817 [0,2,0,0,0,0|2,0,0]=4 4686 B16R2.767 CCNC(C)c1ccc2ncccc2c1 269862a_100015525214_100011286481 [0,2,0,0,0,0|2,0,0]=4 4687 B16R2.767 CCNC(C)c1cnc2ccccc2c1 269862a_100015525214_100011376191 [0,2,0,0,0,0|2,0,0]=4 4688 B16R2.767 CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000210202 [0,2,0,0,0,0|0,0,0]=2 4689 B16R2.767 CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000210202 [0,2,0,0,0,0|0,0,0]=2 4690 B16R2.767 CN(CC#N)c1ccc2ccccc2c1 2230a_100000181211_100011215382 [0,2,0,0,0,0|1,0,1]=4 4691 B16R2.767 CN(CC#N)c1ccc2ccccc2c1 269982a_100000181211_100011214920 [0,2,0,0,0,0|1,0,1]=4 4692 B16R2.767 CN(CC=O)c1ccc2ccccc2c1 2230a_100000181211_200015260668 [0,2,0,0,0,0|1,0,1]=4 4693 B16R2.767 CN(CC=O)c1ccc2ccccc2c1 269982a_100000181211_200015260668 [0,2,0,0,0,0|1,0,1]=4 4694 B16R2.767 CN(CC=O)c1ccc2ccccc2c1 34a_100000181211_200009817547 [0,2,0,0,0,0|1,0,1]=4 4695 B16R2.767 CN(CCF)c1ccc2ccccc2c1 2230a_100000181211_100011217306 [0,2,0,0,0,0|1,0,0]=3 4696 B16R2.767 CN(CCF)c1ccc2ccccc2c1 269982a_100000181211_100011217306 [0,2,0,0,0,0|1,0,0]=3 4697 B16R2.767 CN(CCF)c1ccc2ccccc2c1 34a_100000181211_100011217306 [0,2,0,0,0,0|1,0,0]=3 4698 B16R2.767 CN(CCO)c1ccc2ccccc2c1 2230a_100000181211_100000211926 [0,2,0,0,0,0|1,0,0]=3 4699 B16R2.767 CN(CCO)c1ccc2ccccc2c1 269982a_100000181211_100000211926 [0,2,0,0,0,0|1,0,0]=3 4700 B16R2.767 CN(CCO)c1ccc2ccccc2c1 34a_100000181211_100000211926 [0,2,0,0,0,0|1,0,0]=3 4701 B16R2.767 CN(CCO)c1ccc2ccccc2n1 27a_100000210263_100011291633 [0,2,0,0,0,0|2,0,0]=4 4702 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 2230a_106832991635_100000211431 [0,2,0,0,0,0|1,0,0]=3 4703 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 7a_106832991635_100000211431 [0,2,0,0,0,0|1,0,0]=3 4704 B16R2.767 CNCC(O)c1ccc2ccccc2c1 2230a_100000754022_200000210301 [0,2,0,0,0,0|1,0,0]=3 4705 B16R2.767 CNCC(O)c1ccc2ccccc2c1 34a_100000754022_200000210301 [0,2,0,0,0,0|1,0,0]=3 4706 B16R2.767 CNNC(=O)c1ccc2ccccc2c1 22a_100016993582_100000210637 [0,2,0,0,0,0|2,0,0]=4 4707 B16R2.767 COCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000766300 [0,2,0,0,0,0|1,0,0]=3 4708 B16R2.767 COCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000766300 [0,2,0,0,0,0|1,0,0]=3 4709 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_100000211431_200000210301 [0,2,0,0,0,0|1,0,0]=3 4710 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_200000210301_100000211431 [0,2,0,0,0,0|1,0,0]=3 4711 B16R2.767 CSCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218213 [0,2,0,0,0,0|1,0,0]=3 4712 B16R2.767 CSCN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218213 [0,2,0,0,0,0|1,0,0]=3 4713 B16R2.767 CSCN(C)c1ccc2ccccc2c1 34a_100000181211_100011218213 [0,2,0,0,0,0|1,0,0]=3 4714 B16R2.767 N#CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011214920 [0,2,0,0,0,0|1,0,1]=4 4715 B16R2.767 O=C(CCF)c1ccc2ccccc2c1 1458a_100000210637_100011217306 [0,2,0,0,0,0|1,0,0]=3 4716 B16R2.767 O=C(CCF)c1ccc2cccnc2c1 1458a_100011933907_100011217306 [0,2,0,0,0,0|2,0,0]=4 4717 B16R2.767 O=C(CCF)c1ccc2ccncc2c1 1458a_100000070124_100011217306 [0,2,0,0,0,0|2,0,0]=4 4718 B16R2.767 O=C(CCF)c1ccc2cnccc2c1 1458a_100011935275_100011217306 [0,2,0,0,0,0|2,0,0]=4 4719 B16R2.767 O=C(CCF)c1ccc2ncccc2c1 1458a_100011216044_100011217306 [0,2,0,0,0,0|2,0,0]=4 4720 B16R2.767 O=C(CCO)c1ccc2ccccc2c1 1458a_100000210637_100000211926 [0,2,0,0,0,0|1,0,0]=3 4721 B16R2.767 O=C(CCO)c1ccc2cccnc2c1 1458a_100011933907_100000211926 [0,2,0,0,0,0|2,0,0]=4 4722 B16R2.767 O=C(CCO)c1ccc2ccncc2c1 1458a_100000070124_100000211926 [0,2,0,0,0,0|2,0,0]=4 4723 B16R2.767 O=C(CCO)c1ccc2cnccc2c1 1458a_100011935275_100000211926 [0,2,0,0,0,0|2,0,0]=4 4724 B16R2.767 O=C(CCO)c1ccc2ncccc2c1 1458a_100011216044_100000211926 [0,2,0,0,0,0|2,0,0]=4 4725 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 2230a_100000754022_200025704644 [0,2,0,0,0,0|1,0,0]=3 4726 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 34a_100000754022_200025704644 [0,2,0,0,0,0|1,0,0]=3 4727 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_100000211431_200025704644 [0,2,0,0,0,0|1,0,0]=3 4728 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_200025704644_100000211431 [0,2,0,0,0,0|1,0,0]=3 4729 B16R2.1054 C#CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000184674 [0,2,0,0,0,0|1,0,1]=4 4730 B16R2.1054 C#CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000038162 [0,2,0,0,0,0|1,0,1]=4 4731 B16R2.1054 C#CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000184674 [0,2,0,0,0,0|0,0,1]=3 4732 B16R2.1054 C#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000038162 [0,2,0,0,0,0|0,0,1]=3 4733 B16R2.1054 C#CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000184674 [0,2,0,0,0,0|1,0,1]=4 4734 B16R2.1054 C#CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000038162 [0,2,0,0,0,0|1,0,1]=4 4735 B16R2.1054 C#CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000184674 [0,2,0,0,0,0|1,0,1]=4 4736 B16R2.1054 C#CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000038162 [0,2,0,0,0,0|1,0,1]=4 4737 B16R2.1054 C#CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000184674 [0,2,0,0,0,0|1,0,1]=4 4738 B16R2.1054 C#CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000038162 [0,2,0,0,0,0|1,0,1]=4 4739 B16R2.1054 C#CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000184674 [0,2,0,0,0,0|1,0,1]=4 4740 B16R2.1054 C#CCSc1cc(c2ccccc2c1)N 62a_100000038162_100010171453 [0,2,0,0,0,0|0,1,1]=4 4741 B16R2.1054 C#CCSc1cc(c2ccccc2c1)O 62a_100000038162_100010089979 [0,2,0,0,0,0|0,1,1]=4 4742 B16R2.1054 C=CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100015514636 [0,2,0,0,0,0|1,0,1]=4 4743 B16R2.1054 C=CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100015514636 [0,2,0,0,0,0|1,0,1]=4 4744 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015514636 [0,2,0,0,0,0|0,0,1]=3 4745 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015514636 [0,2,0,0,0,0|0,0,1]=3 4746 B16R2.1054 C=CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100015514636 [0,2,0,0,0,0|1,0,1]=4 4747 B16R2.1054 C=CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100015514636 [0,2,0,0,0,0|1,0,1]=4 4748 B16R2.1054 C=CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100015514636 [0,2,0,0,0,0|1,0,1]=4 4749 B16R2.1054 C=CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100015514636 [0,2,0,0,0,0|1,0,1]=4 4750 B16R2.1054 C=CCOc1cc(c2ncccc2c1)F 34a_100009888031_100015514636 [0,2,0,0,0,0|1,0,1]=4 4751 B16R2.1054 C=CCOc1cc(c2ncccc2c1)F 7a_100009888031_100015514636 [0,2,0,0,0,0|1,0,1]=4 4752 B16R2.1054 C=CCOc1cc(c2ncccc2c1)N 34a_100000083691_100015514636 [0,2,0,0,0,0|1,0,1]=4 4753 B16R2.1054 C=CCSc1cc(c2ccccc2c1)N 62a_100000210623_100010171453 [0,2,0,0,0,0|0,1,1]=4 4754 B16R2.1054 C=CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210623 [0,2,0,0,0,0|0,1,1]=4 4755 B16R2.1054 C=CCSc1cc(c2ccccc2c1)O 62a_100000210623_100010089979 [0,2,0,0,0,0|0,1,1]=4 4756 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [0,2,0,0,0,0|2,0,0]=4 4757 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [0,2,0,0,0,0|1,0,0]=3 4758 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [0,2,0,0,0,0|1,0,0]=3 4759 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [0,2,0,0,0,0|2,0,0]=4 4760 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [0,2,0,0,0,0|2,0,0]=4 4761 B16R2.1054 CCCCc1cc(c2cccnc2c1)N 271570a_100020621405_200010263263 [0,2,0,0,0,0|2,0,0]=4 4762 B16R2.1054 CCCCc1cc(c2cnccc2c1)F 271570a_100020621405_100011068762 [0,2,0,0,0,0|2,0,0]=4 4763 B16R2.1054 CCCCc1cc(c2ncccc2c1)C 271570a_100020621405_100010130319 [0,2,0,0,0,0|2,0,0]=4 4764 B16R2.1054 CCCCc1cc(c2ncccc2c1)Cl 271570a_100020621405_200010369337 [0,2,0,0,0,0|2,0,0]=4 4765 B16R2.1054 CCCCc1cc(c2ncccc2c1)F 271570a_100020621405_100010234705 [0,2,0,0,0,0|2,0,0]=4 4766 B16R2.1054 CCCCc1cc(c2ncccc2c1)N 271570a_100020621405_100009814519 [0,2,0,0,0,0|2,0,0]=4 4767 B16R2.1054 CCCCc1cc(c2ncccc2c1)O 271570a_100020621405_100010248853 [0,2,0,0,0,0|2,0,0]=4 4768 B16R2.1054 CCCCc1cc2ccccc2[n+](c1)[O-] 271570a_100020621405_200010000521 [0,2,0,0,0,0|2,0,0]=4 4769 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [0,2,0,0,0,0|2,0,0]=4 4770 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [0,2,0,0,0,0|1,0,0]=3 4771 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [0,2,0,0,0,0|1,0,0]=3 4772 B16R2.1054 CCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210303 [0,2,0,0,0,0|2,0,0]=4 4773 B16R2.1054 CCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210303 [0,2,0,0,0,0|2,0,0]=4 4774 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210303 [0,2,0,0,0,0|0,0,0]=2 4775 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210303 [0,2,0,0,0,0|0,0,0]=2 4776 B16R2.1054 CCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210303 [0,2,0,0,0,0|1,0,0]=3 4777 B16R2.1054 CCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210303 [0,2,0,0,0,0|1,0,0]=3 4778 B16R2.1054 CCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210303 [0,2,0,0,0,0|1,0,0]=3 4779 B16R2.1054 CCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210303 [0,2,0,0,0,0|1,0,0]=3 4780 B16R2.1054 CCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210303 [0,2,0,0,0,0|1,0,0]=3 4781 B16R2.1054 CCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210303 [0,2,0,0,0,0|1,0,0]=3 4782 B16R2.1054 CCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210303 [0,2,0,0,0,0|1,0,0]=3 4783 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [0,2,0,0,0,0|1,1,0]=4 4784 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100000210303_100010171453 [0,2,0,0,0,0|0,1,0]=3 4785 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210303 [0,2,0,0,0,0|0,1,0]=3 4786 B16R2.1054 CCCSc1cc(c2ccccc2c1)O 62a_100000210303_100010089979 [0,2,0,0,0,0|0,1,0]=3 4787 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100000210303_100000184993 [0,2,0,0,0,0|1,1,0]=4 4788 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210303 [0,2,0,0,0,0|1,1,0]=4 4789 B16R2.1054 CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210303 [0,2,0,0,0,0|1,1,0]=4 4790 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_100000210303_200010263263 [0,2,0,0,0,0|1,1,0]=4 4791 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210303 [0,2,0,0,0,0|1,1,0]=4 4792 B16R2.1054 CCCSc1cc(c2cnccc2c1)F 62a_100000210303_100011068762 [0,2,0,0,0,0|1,1,0]=4 4793 B16R2.1054 CCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210303 [0,2,0,0,0,0|1,1,0]=4 4794 B16R2.1054 CCCSc1cc(c2ncccc2c1)C 62a_100000210303_100010130319 [0,2,0,0,0,0|1,1,0]=4 4795 B16R2.1054 CCCSc1cc(c2ncccc2c1)Cl 62a_100000210303_200010369337 [0,2,0,0,0,0|1,1,0]=4 4796 B16R2.1054 CCCSc1cc(c2ncccc2c1)F 62a_100000210303_100010234705 [0,2,0,0,0,0|1,1,0]=4 4797 B16R2.1054 CCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210303 [0,2,0,0,0,0|1,1,0]=4 4798 B16R2.1054 CCCSc1cc(c2ncccc2c1)N 62a_100000210303_100009814519 [0,2,0,0,0,0|1,1,0]=4 4799 B16R2.1054 CCCSc1cc(c2ncccc2c1)O 62a_100000210303_100010248853 [0,2,0,0,0,0|1,1,0]=4 4800 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [0,2,0,0,0,0|1,1,0]=4 4801 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100000210303_100009957331 [0,2,0,0,0,0|1,1,0]=4 4802 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210303 [0,2,0,0,0,0|1,1,0]=4 4803 B16R2.1054 CCOCc1cc(=O)n2ccccc2n1 34a_100121572206_100000017730 [0,2,0,0,0,0|2,0,0]=4 4804 B16R2.1054 CCOCc1nc(c2ccccc2n1)C 34a_100121572206_100000736427 [0,2,0,0,0,0|2,0,0]=4 4805 B16R2.1054 COCSc1cc(=O)c2ccccc2[nH]1 62a_100000766300_100000090176 [0,2,0,0,0,0|1,1,0]=4 4806 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100000766300_100010171453 [0,2,0,0,0,0|0,1,0]=3 4807 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100010171453_100000766300 [0,2,0,0,0,0|0,1,0]=3 4808 B16R2.1054 COCSc1cc(c2ccccc2c1)O 62a_100000766300_100010089979 [0,2,0,0,0,0|0,1,0]=3 4809 B16R2.1054 COCSc1cc(c2ccccc2n1)C 62a_100000766300_100000184993 [0,2,0,0,0,0|1,1,0]=4 4810 B16R2.1054 COCSc1cc(c2ccccc2n1)C 62a_100012354972_100000766300 [0,2,0,0,0,0|1,1,0]=4 4811 B16R2.1054 COCSc1cc(c2ccccc2n1)N 62a_100010197925_100000766300 [0,2,0,0,0,0|1,1,0]=4 4812 B16R2.1054 COCSc1cc(c2cccnc2c1)N 62a_100000766300_200010263263 [0,2,0,0,0,0|1,1,0]=4 4813 B16R2.1054 COCSc1cc(c2cccnc2c1)N 62a_200010263263_100000766300 [0,2,0,0,0,0|1,1,0]=4 4814 B16R2.1054 COCSc1cc(c2cnccc2c1)F 62a_100000766300_100011068762 [0,2,0,0,0,0|1,1,0]=4 4815 B16R2.1054 COCSc1cc(c2cnccc2c1)F 62a_100011068762_100000766300 [0,2,0,0,0,0|1,1,0]=4 4816 B16R2.1054 COCSc1cc(c2ncccc2c1)C 62a_100000766300_100010130319 [0,2,0,0,0,0|1,1,0]=4 4817 B16R2.1054 COCSc1cc(c2ncccc2c1)Cl 62a_100000766300_200010369337 [0,2,0,0,0,0|1,1,0]=4 4818 B16R2.1054 COCSc1cc(c2ncccc2c1)F 62a_100000766300_100010234705 [0,2,0,0,0,0|1,1,0]=4 4819 B16R2.1054 COCSc1cc(c2ncccc2c1)F 62a_100010234705_100000766300 [0,2,0,0,0,0|1,1,0]=4 4820 B16R2.1054 COCSc1cc(c2ncccc2c1)N 62a_100000766300_100009814519 [0,2,0,0,0,0|1,1,0]=4 4821 B16R2.1054 COCSc1cc(c2ncccc2c1)O 62a_100000766300_100010248853 [0,2,0,0,0,0|1,1,0]=4 4822 B16R2.1054 COCSc1cc2ccccc2c(=O)[nH]1 62a_100000766300_200015811170 [0,2,0,0,0,0|1,1,0]=4 4823 B16R2.1054 COCSc1cc2ccccc2c(n1)N 62a_100000766300_100009957331 [0,2,0,0,0,0|1,1,0]=4 4824 B16R2.1054 COCSc1cc2ccccc2c(n1)N 62a_100009957331_100000766300 [0,2,0,0,0,0|1,1,0]=4 4825 B16R2.1054 CSCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011218213 [0,2,0,0,0,0|1,0,0]=3 4826 B16R2.1054 CSCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011218213 [0,2,0,0,0,0|2,0,0]=4 4827 B16R2.1054 CSCOc1cc(=O)n2ccccc2n1 34a_100000751361_100011218213 [0,2,0,0,0,0|2,0,0]=4 4828 B16R2.1054 CSCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011218213 [0,2,0,0,0,0|0,0,0]=2 4829 B16R2.1054 CSCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011218213 [0,2,0,0,0,0|1,0,0]=3 4830 B16R2.1054 CSCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011218213 [0,2,0,0,0,0|1,0,0]=3 4831 B16R2.1054 CSCOc1cc(c2ncccc2c1)F 34a_100009888031_100011218213 [0,2,0,0,0,0|1,0,0]=3 4832 B16R2.1054 CSCOc1cc(c2ncccc2c1)N 34a_100000083691_100011218213 [0,2,0,0,0,0|1,0,0]=3 4833 B16R2.1054 CSCSc1cc(=O)c2ccccc2[nH]1 62a_100011218213_100000090176 [0,2,0,0,0,0|1,1,0]=4 4834 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100010171453_100011218213 [0,2,0,0,0,0|0,1,0]=3 4835 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100011218213_100010171453 [0,2,0,0,0,0|0,1,0]=3 4836 B16R2.1054 CSCSc1cc(c2ccccc2c1)O 62a_100011218213_100010089979 [0,2,0,0,0,0|0,1,0]=3 4837 B16R2.1054 CSCSc1cc(c2ccccc2n1)C 62a_100011218213_100000184993 [0,2,0,0,0,0|1,1,0]=4 4838 B16R2.1054 CSCSc1cc(c2ccccc2n1)C 62a_100012354972_100011218213 [0,2,0,0,0,0|1,1,0]=4 4839 B16R2.1054 CSCSc1cc(c2ccccc2n1)N 62a_100010197925_100011218213 [0,2,0,0,0,0|1,1,0]=4 4840 B16R2.1054 CSCSc1cc(c2cccnc2c1)N 62a_100011218213_200010263263 [0,2,0,0,0,0|1,1,0]=4 4841 B16R2.1054 CSCSc1cc(c2cccnc2c1)N 62a_200010263263_100011218213 [0,2,0,0,0,0|1,1,0]=4 4842 B16R2.1054 CSCSc1cc(c2cnccc2c1)F 62a_100011068762_100011218213 [0,2,0,0,0,0|1,1,0]=4 4843 B16R2.1054 CSCSc1cc(c2cnccc2c1)F 62a_100011218213_100011068762 [0,2,0,0,0,0|1,1,0]=4 4844 B16R2.1054 CSCSc1cc(c2ncccc2c1)C 62a_100011218213_100010130319 [0,2,0,0,0,0|1,1,0]=4 4845 B16R2.1054 CSCSc1cc(c2ncccc2c1)Cl 62a_100011218213_200010369337 [0,2,0,0,0,0|1,1,0]=4 4846 B16R2.1054 CSCSc1cc(c2ncccc2c1)F 62a_100010234705_100011218213 [0,2,0,0,0,0|1,1,0]=4 4847 B16R2.1054 CSCSc1cc(c2ncccc2c1)F 62a_100011218213_100010234705 [0,2,0,0,0,0|1,1,0]=4 4848 B16R2.1054 CSCSc1cc(c2ncccc2c1)N 62a_100011218213_100009814519 [0,2,0,0,0,0|1,1,0]=4 4849 B16R2.1054 CSCSc1cc(c2ncccc2c1)O 62a_100011218213_100010248853 [0,2,0,0,0,0|1,1,0]=4 4850 B16R2.1054 CSCSc1cc2ccccc2c(=O)[nH]1 62a_100011218213_200015811170 [0,2,0,0,0,0|1,1,0]=4 4851 B16R2.1054 CSCSc1cc2ccccc2c(n1)N 62a_100009957331_100011218213 [0,2,0,0,0,0|1,1,0]=4 4852 B16R2.1054 CSCSc1cc2ccccc2c(n1)N 62a_100011218213_100009957331 [0,2,0,0,0,0|1,1,0]=4 4853 B16R2.1054 Cc1cc(cc2c1nccc2)SCCF 62a_100011217306_100010130319 [0,2,0,0,0,0|1,1,0]=4 4854 B16R2.1054 Cc1cc(cc2c1nccc2)SCCO 62a_100000211926_100010130319 [0,2,0,0,0,0|1,1,0]=4 4855 B16R2.1054 Cc1cc(nc2c1cccc2)NCCO 27a_100000210304_100000184993 [0,2,0,0,0,0|2,0,0]=4 4856 B16R2.1054 Cc1cc(nc2c1cccc2)SCCF 62a_100011217306_100000184993 [0,2,0,0,0,0|1,1,0]=4 4857 B16R2.1054 Cc1cc(nc2c1cccc2)SCCF 62a_100012354972_100011217306 [0,2,0,0,0,0|1,1,0]=4 4858 B16R2.1054 Cc1cc(nc2c1cccc2)SCCO 62a_100000211926_100000184993 [0,2,0,0,0,0|1,1,0]=4 4859 B16R2.1054 Cc1cc(nc2c1cccc2)SCCO 62a_100012354972_100000211926 [0,2,0,0,0,0|1,1,0]=4 4860 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011217306 [0,2,0,0,0,0|1,0,0]=3 4861 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011217306 [0,2,0,0,0,0|1,0,0]=3 4862 B16R2.1054 FCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011217306 [0,2,0,0,0,0|2,0,0]=4 4863 B16R2.1054 FCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011217306 [0,2,0,0,0,0|0,0,0]=2 4864 B16R2.1054 FCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011217306 [0,2,0,0,0,0|0,0,0]=2 4865 B16R2.1054 FCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011217306 [0,2,0,0,0,0|1,0,0]=3 4866 B16R2.1054 FCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011217306 [0,2,0,0,0,0|1,0,0]=3 4867 B16R2.1054 FCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011217306 [0,2,0,0,0,0|1,0,0]=3 4868 B16R2.1054 FCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011217306 [0,2,0,0,0,0|1,0,0]=3 4869 B16R2.1054 FCCOc1cc(c2ncccc2c1)F 34a_100009888031_100011217306 [0,2,0,0,0,0|1,0,0]=3 4870 B16R2.1054 FCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011217306 [0,2,0,0,0,0|1,0,0]=3 4871 B16R2.1054 FCCSc1cc(c2cnccc2c1)F 62a_100011068762_100011217306 [0,2,0,0,0,0|1,1,0]=4 4872 B16R2.1054 FCCSc1cc(c2cnccc2c1)F 62a_100011217306_100011068762 [0,2,0,0,0,0|1,1,0]=4 4873 B16R2.1054 FCCSc1cc(c2ncccc2c1)Cl 62a_100011217306_200010369337 [0,2,0,0,0,0|1,1,0]=4 4874 B16R2.1054 FCCSc1cc(c2ncccc2c1)F 62a_100010234705_100011217306 [0,2,0,0,0,0|1,1,0]=4 4875 B16R2.1054 FCCSc1cc(c2ncccc2c1)F 62a_100011217306_100010234705 [0,2,0,0,0,0|1,1,0]=4 4876 B16R2.1054 N#CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011215382 [0,2,0,0,0,0|1,0,1]=4 4877 B16R2.1054 N#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215382 [0,2,0,0,0,0|0,0,1]=3 4878 B16R2.1054 N#CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011215382 [0,2,0,0,0,0|1,0,1]=4 4879 B16R2.1054 N#CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011215382 [0,2,0,0,0,0|1,0,1]=4 4880 B16R2.1054 N#CCOc1cc(c2ncccc2c1)F 7a_100009888031_100011215382 [0,2,0,0,0,0|1,0,1]=4 4881 B16R2.1054 N#CCSc1cc(c2ccccc2c1)N 62a_100010171453_100011215382 [0,2,0,0,0,0|0,1,1]=4 4882 B16R2.1054 N#CCSc1cc(c2ccccc2c1)N 62a_100011215382_100010171453 [0,2,0,0,0,0|0,1,1]=4 4883 B16R2.1054 N#CCSc1cc(c2ccccc2c1)O 62a_100011215382_100010089979 [0,2,0,0,0,0|0,1,1]=4 4884 B16R2.1054 Nc1cc(cc2c1cccc2)SCC=O 62a_100010171453_200015260668 [0,2,0,0,0,0|0,1,1]=4 4885 B16R2.1054 Nc1cc(cc2c1cccc2)SCC=O 62a_200015260668_100010171453 [0,2,0,0,0,0|0,1,1]=4 4886 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100010171453_100011217306 [0,2,0,0,0,0|0,1,0]=3 4887 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010171453 [0,2,0,0,0,0|0,1,0]=3 4888 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100000211926_100010171453 [0,2,0,0,0,0|0,1,0]=3 4889 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100010171453_100000211926 [0,2,0,0,0,0|0,1,0]=3 4890 B16R2.1054 Nc1cc(cc2c1cccn2)SCCF 62a_100011217306_200010263263 [0,2,0,0,0,0|1,1,0]=4 4891 B16R2.1054 Nc1cc(cc2c1cccn2)SCCF 62a_200010263263_100011217306 [0,2,0,0,0,0|1,1,0]=4 4892 B16R2.1054 Nc1cc(cc2c1cccn2)SCCO 62a_100000211926_200010263263 [0,2,0,0,0,0|1,1,0]=4 4893 B16R2.1054 Nc1cc(cc2c1cccn2)SCCO 62a_200010263263_100000211926 [0,2,0,0,0,0|1,1,0]=4 4894 B16R2.1054 Nc1cc(cc2c1nccc2)OCC=O 34a_100000083691_200009817547 [0,2,0,0,0,0|1,0,1]=4 4895 B16R2.1054 Nc1cc(cc2c1nccc2)OCCF 34a_100000083691_100011217306 [0,2,0,0,0,0|1,0,0]=3 4896 B16R2.1054 Nc1cc(cc2c1nccc2)OCCO 34a_100000083691_100000211926 [0,2,0,0,0,0|1,0,0]=3 4897 B16R2.1054 Nc1cc(cc2c1nccc2)SCCF 62a_100011217306_100009814519 [0,2,0,0,0,0|1,1,0]=4 4898 B16R2.1054 Nc1cc(cc2c1nccc2)SCCO 62a_100000211926_100009814519 [0,2,0,0,0,0|1,1,0]=4 4899 B16R2.1054 Nc1cc(nc2c1cccc2)SCCF 62a_100010197925_100011217306 [0,2,0,0,0,0|1,1,0]=4 4900 B16R2.1054 Nc1cc(nc2c1cccc2)SCCO 62a_100010197925_100000211926 [0,2,0,0,0,0|1,1,0]=4 4901 B16R2.1054 Nc1nc(cc2c1cccc2)SCCF 62a_100009957331_100011217306 [0,2,0,0,0,0|1,1,0]=4 4902 B16R2.1054 Nc1nc(cc2c1cccc2)SCCF 62a_100011217306_100009957331 [0,2,0,0,0,0|1,1,0]=4 4903 B16R2.1054 Nc1nc(cc2c1cccc2)SCCO 62a_100000211926_100009957331 [0,2,0,0,0,0|1,1,0]=4 4904 B16R2.1054 Nc1nc(cc2c1cccc2)SCCO 62a_100009957331_100000211926 [0,2,0,0,0,0|1,1,0]=4 4905 B16R2.1054 O=CCNc1cc(c2ccccc2c1)Br 34a_100010089974_200009817547 [0,2,0,0,0,0|1,0,1]=4 4906 B16R2.1054 O=CCNc1cc(c2ccccc2c1)Br 7a_100010089974_200015260668 [0,2,0,0,0,0|1,0,1]=4 4907 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_200009817547 [0,2,0,0,0,0|0,0,1]=3 4908 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_200015260668 [0,2,0,0,0,0|0,0,1]=3 4909 B16R2.1054 O=CCOc1cc(c2cnccc2c1)Br 34a_100011009069_200009817547 [0,2,0,0,0,0|1,0,1]=4 4910 B16R2.1054 O=CCOc1cc(c2cnccc2c1)Br 7a_100011009069_200015260668 [0,2,0,0,0,0|1,0,1]=4 4911 B16R2.1054 O=CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_200009817547 [0,2,0,0,0,0|1,0,1]=4 4912 B16R2.1054 O=CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_200015260668 [0,2,0,0,0,0|1,0,1]=4 4913 B16R2.1054 O=CCOc1cc(c2ncccc2c1)F 34a_100009888031_200009817547 [0,2,0,0,0,0|1,0,1]=4 4914 B16R2.1054 O=CCOc1cc(c2ncccc2c1)F 7a_100009888031_200015260668 [0,2,0,0,0,0|1,0,1]=4 4915 B16R2.1054 O=CCSc1cc(c2ccccc2c1)O 62a_200015260668_100010089979 [0,2,0,0,0,0|0,1,1]=4 4916 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCF 62a_100011217306_200015811170 [0,2,0,0,0,0|1,1,0]=4 4917 B16R2.1054 O=c1[nH]c(cc2c1cccc2)SCCO 62a_100000211926_200015811170 [0,2,0,0,0,0|1,1,0]=4 4918 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCF 62a_100011217306_100000090176 [0,2,0,0,0,0|1,1,0]=4 4919 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCO 62a_100000211926_100000090176 [0,2,0,0,0,0|1,1,0]=4 4920 B16R2.1054 O=c1cc(nc2n1cccc2)OCCF 34a_100000751361_100011217306 [0,2,0,0,0,0|2,0,0]=4 4921 B16R2.1054 O=c1cc(nc2n1cccc2)OCCO 34a_100000751361_100000211926 [0,2,0,0,0,0|2,0,0]=4 4922 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000211926 [0,2,0,0,0,0|1,0,0]=3 4923 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000211926 [0,2,0,0,0,0|1,0,0]=3 4924 B16R2.1054 OCCNc1cc(c2cnccc2c1)F 27a_100000210304_100011068762 [0,2,0,0,0,0|2,0,0]=4 4925 B16R2.1054 OCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000211926 [0,2,0,0,0,0|2,0,0]=4 4926 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000211926 [0,2,0,0,0,0|0,0,0]=2 4927 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000211926 [0,2,0,0,0,0|0,0,0]=2 4928 B16R2.1054 OCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000211926 [0,2,0,0,0,0|1,0,0]=3 4929 B16R2.1054 OCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000211926 [0,2,0,0,0,0|1,0,0]=3 4930 B16R2.1054 OCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000211926 [0,2,0,0,0,0|1,0,0]=3 4931 B16R2.1054 OCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000211926 [0,2,0,0,0,0|1,0,0]=3 4932 B16R2.1054 OCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000211926 [0,2,0,0,0,0|1,0,0]=3 4933 B16R2.1054 OCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000211926 [0,2,0,0,0,0|1,0,0]=3 4934 B16R2.1054 OCCSc1cc(c2ccccc2c1)O 62a_100000211926_100010089979 [0,2,0,0,0,0|0,1,0]=3 4935 B16R2.1054 OCCSc1cc(c2cnccc2c1)F 62a_100000211926_100011068762 [0,2,0,0,0,0|1,1,0]=4 4936 B16R2.1054 OCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000211926 [0,2,0,0,0,0|1,1,0]=4 4937 B16R2.1054 OCCSc1cc(c2ncccc2c1)Cl 62a_100000211926_200010369337 [0,2,0,0,0,0|1,1,0]=4 4938 B16R2.1054 OCCSc1cc(c2ncccc2c1)F 62a_100000211926_100010234705 [0,2,0,0,0,0|1,1,0]=4 4939 B16R2.1054 OCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000211926 [0,2,0,0,0,0|1,1,0]=4 4940 B16R2.1054 OCCSc1cc(c2ncccc2c1)O 62a_100000211926_100010248853 [0,2,0,0,0,0|1,1,0]=4 4941 B16R2.1054 Oc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010089979 [0,2,0,0,0,0|0,1,0]=3 4942 B16R2.1054 Oc1cc(cc2c1nccc2)SCCF 62a_100011217306_100010248853 [0,2,0,0,0,0|1,1,0]=4 4943 B16R2.1056 C#CCNc1cc2ccccc2cc1Br 34a_100009991566_100000184674 [0,2,0,0,0,0|1,0,1]=4 4944 B16R2.1056 C#CCNc1cc2ccccc2cc1Br 7a_100009991566_100000038162 [0,2,0,0,0,0|1,0,1]=4 4945 B16R2.1056 C#CCOc1cc2ccccc2cc1Br 34a_100009817189_100000184674 [0,2,0,0,0,0|0,0,1]=3 4946 B16R2.1056 C#CCOc1cc2ccccc2cc1Br 7a_100009817189_100000038162 [0,2,0,0,0,0|0,0,1]=3 4947 B16R2.1056 C#CCOc1cc2ccccc2cc1C 34a_100000091601_100000184674 [0,2,0,0,0,0|0,0,1]=3 4948 B16R2.1056 C#CCOc1cc2ccccc2cc1C 7a_100000091601_100000038162 [0,2,0,0,0,0|0,0,1]=3 4949 B16R2.1056 C#CCOc1cc2ccccc2cc1N 34a_106744474703_100000184674 [0,2,0,0,0,0|0,0,1]=3 4950 B16R2.1056 C#CCOc1cc2ccccc2cc1N 7a_106744474703_100000038162 [0,2,0,0,0,0|0,0,1]=3 4951 B16R2.1056 C#CCOc1cc2ccccc2nc1C 34a_200000079175_100000184674 [0,2,0,0,0,0|1,0,1]=4 4952 B16R2.1056 C#CCOc1cc2ccccc2nc1C 7a_200000079175_100000038162 [0,2,0,0,0,0|1,0,1]=4 4953 B16R2.1056 C#CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000184674 [0,2,0,0,0,0|1,0,1]=4 4954 B16R2.1056 C#CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000038162 [0,2,0,0,0,0|1,0,1]=4 4955 B16R2.1056 C#CCOc1cc2ccccc2oc1=O 7a_100000061252_100000038162 [0,2,0,0,0,0|1,0,1]=4 4956 B16R2.1056 C#CCOc1cc2cccnc2cc1Br 34a_200010153759_100000184674 [0,2,0,0,0,0|1,0,1]=4 4957 B16R2.1056 C#CCOc1cc2cccnc2cc1Br 7a_200010153759_100000038162 [0,2,0,0,0,0|1,0,1]=4 4958 B16R2.1056 C#CCSc1cc2ccccc2cc1Br 62a_100000038162_200010169544 [0,2,0,0,0,0|0,1,1]=4 4959 B16R2.1056 C#CCSc1cc2ccccc2cc1Cl 62a_100000038162_100010152806 [0,2,0,0,0,0|0,1,1]=4 4960 B16R2.1056 C#CCSc1cc2ccccc2cc1N 62a_100000038162_100009991566 [0,2,0,0,0,0|0,1,1]=4 4961 B16R2.1056 C#CCSc1cc2ccccc2cc1O 62a_100000038162_100009817189 [0,2,0,0,0,0|0,1,1]=4 4962 B16R2.1056 C=CCNc1cc2ccccc2cc1Br 34a_100009991566_100015514636 [0,2,0,0,0,0|1,0,1]=4 4963 B16R2.1056 C=CCNc1cc2ccccc2cc1Br 7a_100009991566_100015514636 [0,2,0,0,0,0|1,0,1]=4 4964 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 34a_100009817189_100015514636 [0,2,0,0,0,0|0,0,1]=3 4965 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 7a_100009817189_100015514636 [0,2,0,0,0,0|0,0,1]=3 4966 B16R2.1056 C=CCOc1cc2ccccc2cc1C 34a_100000091601_100015514636 [0,2,0,0,0,0|0,0,1]=3 4967 B16R2.1056 C=CCOc1cc2ccccc2cc1C 7a_100000091601_100015514636 [0,2,0,0,0,0|0,0,1]=3 4968 B16R2.1056 C=CCOc1cc2ccccc2cc1N 34a_106744474703_100015514636 [0,2,0,0,0,0|0,0,1]=3 4969 B16R2.1056 C=CCOc1cc2ccccc2cc1N 7a_106744474703_100015514636 [0,2,0,0,0,0|0,0,1]=3 4970 B16R2.1056 C=CCOc1cc2ccccc2nc1C 34a_200000079175_100015514636 [0,2,0,0,0,0|1,0,1]=4 4971 B16R2.1056 C=CCOc1cc2ccccc2nc1C 7a_200000079175_100015514636 [0,2,0,0,0,0|1,0,1]=4 4972 B16R2.1056 C=CCOc1cc2ccccc2nc1Cl 34a_200000100762_100015514636 [0,2,0,0,0,0|1,0,1]=4 4973 B16R2.1056 C=CCOc1cc2ccccc2nc1Cl 7a_200000100762_100015514636 [0,2,0,0,0,0|1,0,1]=4 4974 B16R2.1056 C=CCOc1cc2ccccc2oc1=O 7a_100000061252_100015514636 [0,2,0,0,0,0|1,0,1]=4 4975 B16R2.1056 C=CCOc1cc2cccnc2cc1Br 34a_200010153759_100015514636 [0,2,0,0,0,0|1,0,1]=4 4976 B16R2.1056 C=CCOc1cc2cccnc2cc1Br 7a_200010153759_100015514636 [0,2,0,0,0,0|1,0,1]=4 4977 B16R2.1056 C=CCSc1cc2ccccc2cc1Br 62a_100000210623_200010169544 [0,2,0,0,0,0|0,1,1]=4 4978 B16R2.1056 C=CCSc1cc2ccccc2cc1Br 62a_200010169544_100000210623 [0,2,0,0,0,0|0,1,1]=4 4979 B16R2.1056 C=CCSc1cc2ccccc2cc1Cl 62a_100000210623_100010152806 [0,2,0,0,0,0|0,1,1]=4 4980 B16R2.1056 C=CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210623 [0,2,0,0,0,0|0,1,1]=4 4981 B16R2.1056 C=CCSc1cc2ccccc2cc1N 62a_100000210623_100009991566 [0,2,0,0,0,0|0,1,1]=4 4982 B16R2.1056 C=CCSc1cc2ccccc2cc1N 62a_100009991566_100000210623 [0,2,0,0,0,0|0,1,1]=4 4983 B16R2.1056 C=CCSc1cc2ccccc2cc1O 62a_100000210623_100009817189 [0,2,0,0,0,0|0,1,1]=4 4984 B16R2.1056 CCCCc1cc2ccccc2cc1Br 271570a_100020621405_200010169544 [0,2,0,0,0,0|1,0,0]=3 4985 B16R2.1056 CCCCc1cc2ccccc2cc1Cl 271570a_100020621405_100010152806 [0,2,0,0,0,0|1,0,0]=3 4986 B16R2.1056 CCCCc1cc2ccccc2cc1N 271570a_100020621405_100009991566 [0,2,0,0,0,0|1,0,0]=3 4987 B16R2.1056 CCCCc1cc2ccccc2cc1O 271570a_100020621405_100009817189 [0,2,0,0,0,0|1,0,0]=3 4988 B16R2.1056 CCCCc1cc2ccccc2nc1Cl 271570a_100020621405_100010220712 [0,2,0,0,0,0|2,0,0]=4 4989 B16R2.1056 CCCCc1cc2ccccc2nc1F 271570a_100020621405_100011158909 [0,2,0,0,0,0|2,0,0]=4 4990 B16R2.1056 CCCCc1cc2ccccc2nc1N 271570a_100020621405_100010135404 [0,2,0,0,0,0|2,0,0]=4 4991 B16R2.1056 CCCCc1cc2ccccc2nc1O 271570a_100020621405_200009820883 [0,2,0,0,0,0|2,0,0]=4 4992 B16R2.1056 CCCCc1cc2ccccc2oc1=O 271570a_100020621405_200000187772 [0,2,0,0,0,0|2,0,0]=4 4993 B16R2.1056 CCCCc1cc2cccnc2cc1C 271570a_100020621405_100010137429 [0,2,0,0,0,0|2,0,0]=4 4994 B16R2.1056 CCCCc1cc2cccnc2cc1F 271570a_100020621405_100009854028 [0,2,0,0,0,0|2,0,0]=4 4995 B16R2.1056 CCCCc1cc2ccncc2cc1F 271570a_100020621405_100011105921 [0,2,0,0,0,0|2,0,0]=4 4996 B16R2.1056 CCCCc1cc2cnccc2cc1F 271570a_100020621405_100010244713 [0,2,0,0,0,0|2,0,0]=4 4997 B16R2.1056 CCCCc1cc2ncccc2cc1O 271570a_100020621405_200010153759 [0,2,0,0,0,0|2,0,0]=4 4998 B16R2.1056 CCCCc1nc2ccccc2cc1Br 271570a_100020621405_100010072790 [0,2,0,0,0,0|2,0,0]=4 4999 B16R2.1056 CCCCc1nc2ccccc2cc1C 271570a_100020621405_100000751756 [0,2,0,0,0,0|2,0,0]=4 5000 B16R2.1056 CCCCc1nc2ccccc2cc1O 271570a_100020621405_200000100762 [0,2,0,0,0,0|2,0,0]=4 5001 B16R2.1056 CCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210303 [0,2,0,0,0,0|1,0,0]=3 5002 B16R2.1056 CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210303 [0,2,0,0,0,0|1,0,0]=3 5003 B16R2.1056 CCCOc1cc2ccccc2cc1Br 34a_100009817189_100000210303 [0,2,0,0,0,0|0,0,0]=2 5004 B16R2.1056 CCCOc1cc2ccccc2cc1Br 7a_100009817189_100000210303 [0,2,0,0,0,0|0,0,0]=2 5005 B16R2.1056 CCCOc1cc2ccccc2cc1C 34a_100000091601_100000210303 [0,2,0,0,0,0|0,0,0]=2 5006 B16R2.1056 CCCOc1cc2ccccc2cc1C 7a_100000091601_100000210303 [0,2,0,0,0,0|0,0,0]=2 5007 B16R2.1056 CCCOc1cc2ccccc2cc1N 34a_106744474703_100000210303 [0,2,0,0,0,0|0,0,0]=2 5008 B16R2.1056 CCCOc1cc2ccccc2cc1N 7a_106744474703_100000210303 [0,2,0,0,0,0|0,0,0]=2 5009 B16R2.1056 CCCOc1cc2ccccc2nc1C 34a_200000079175_100000210303 [0,2,0,0,0,0|1,0,0]=3 5010 B16R2.1056 CCCOc1cc2ccccc2nc1C 7a_200000079175_100000210303 [0,2,0,0,0,0|1,0,0]=3 5011 B16R2.1056 CCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210303 [0,2,0,0,0,0|1,0,0]=3 5012 B16R2.1056 CCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210303 [0,2,0,0,0,0|1,0,0]=3 5013 B16R2.1056 CCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210303 [0,2,0,0,0,0|1,0,0]=3 5014 B16R2.1056 CCCOc1cc2cccnc2cc1Br 34a_200010153759_100000210303 [0,2,0,0,0,0|1,0,0]=3 5015 B16R2.1056 CCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210303 [0,2,0,0,0,0|1,0,0]=3 5016 B16R2.1056 CCCSc1cc2ccccc2cc1Br 62a_100000210303_200010169544 [0,2,0,0,0,0|0,1,0]=3 5017 B16R2.1056 CCCSc1cc2ccccc2cc1Br 62a_200010169544_100000210303 [0,2,0,0,0,0|0,1,0]=3 5018 B16R2.1056 CCCSc1cc2ccccc2cc1Cl 62a_100000210303_100010152806 [0,2,0,0,0,0|0,1,0]=3 5019 B16R2.1056 CCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210303 [0,2,0,0,0,0|0,1,0]=3 5020 B16R2.1056 CCCSc1cc2ccccc2cc1N 62a_100000210303_100009991566 [0,2,0,0,0,0|0,1,0]=3 5021 B16R2.1056 CCCSc1cc2ccccc2cc1N 62a_100009991566_100000210303 [0,2,0,0,0,0|0,1,0]=3 5022 B16R2.1056 CCCSc1cc2ccccc2cc1O 62a_100000210303_100009817189 [0,2,0,0,0,0|0,1,0]=3 5023 B16R2.1056 CCCSc1cc2ccccc2nc1Cl 62a_100000210303_100010220712 [0,2,0,0,0,0|1,1,0]=4 5024 B16R2.1056 CCCSc1cc2ccccc2nc1F 62a_100000210303_100011158909 [0,2,0,0,0,0|1,1,0]=4 5025 B16R2.1056 CCCSc1cc2ccccc2nc1F 62a_100011158909_100000210303 [0,2,0,0,0,0|1,1,0]=4 5026 B16R2.1056 CCCSc1cc2ccccc2nc1N 62a_100010135404_100000210303 [0,2,0,0,0,0|1,1,0]=4 5027 B16R2.1056 CCCSc1cc2ccccc2nc1O 62a_100000210303_200009820883 [0,2,0,0,0,0|1,1,0]=4 5028 B16R2.1056 CCCSc1cc2ccccc2oc1=O 62a_100000210303_200000187772 [0,2,0,0,0,0|1,1,0]=4 5029 B16R2.1056 CCCSc1cc2cccnc2cc1C 62a_100000210303_100010137429 [0,2,0,0,0,0|1,1,0]=4 5030 B16R2.1056 CCCSc1cc2cccnc2cc1C 62a_100010137429_100000210303 [0,2,0,0,0,0|1,1,0]=4 5031 B16R2.1056 CCCSc1cc2cccnc2cc1F 62a_100000210303_100009854028 [0,2,0,0,0,0|1,1,0]=4 5032 B16R2.1056 CCCSc1cc2cccnc2cc1F 62a_100009854028_100000210303 [0,2,0,0,0,0|1,1,0]=4 5033 B16R2.1056 CCCSc1cc2ccncc2cc1F 62a_100000210303_100011105921 [0,2,0,0,0,0|1,1,0]=4 5034 B16R2.1056 CCCSc1cc2ccncc2cc1F 62a_100011105921_100000210303 [0,2,0,0,0,0|1,1,0]=4 5035 B16R2.1056 CCCSc1cc2cnccc2cc1F 62a_100000210303_100010244713 [0,2,0,0,0,0|1,1,0]=4 5036 B16R2.1056 CCCSc1cc2cnccc2cc1F 62a_100010244713_100000210303 [0,2,0,0,0,0|1,1,0]=4 5037 B16R2.1056 CCCSc1cc2ncccc2cc1O 62a_100000210303_200010153759 [0,2,0,0,0,0|1,1,0]=4 5038 B16R2.1056 CCCSc1nc2ccccc2cc1Br 62a_100000210303_100010072790 [0,2,0,0,0,0|1,1,0]=4 5039 B16R2.1056 CCCSc1nc2ccccc2cc1Br 62a_100010072790_100000210303 [0,2,0,0,0,0|1,1,0]=4 5040 B16R2.1056 CCCSc1nc2ccccc2cc1C 62a_100000210303_100000751756 [0,2,0,0,0,0|1,1,0]=4 5041 B16R2.1056 CCCSc1nc2ccccc2cc1O 62a_100000210303_200000100762 [0,2,0,0,0,0|1,1,0]=4 5042 B16R2.1056 CCNCc1cc2ccccc2nc1Cl 2230a_100015525214_100000189640 [0,2,0,0,0,0|2,0,0]=4 5043 B16R2.1056 CCNCc1cc2ccccc2nc1O 207a_100015525214_100000184424 [0,2,0,0,0,0|2,0,0]=4 5044 B16R2.1056 CCNCc1cc2ccccc2nc1O 270004a_100015525214_100000184424 [0,2,0,0,0,0|2,0,0]=4 5045 B16R2.1056 CCOCc1cc2ccccc2nc1Cl 34a_100000754719_100000210202 [0,2,0,0,0,0|1,0,0]=3 5046 B16R2.1056 CCOCc1cc2ccccc2nc1Cl 34a_100121572206_100000189640 [0,2,0,0,0,0|1,0,0]=3 5047 B16R2.1056 CCOCc1cc2ccccc2nc1Cl 7a_100000754719_100000210202 [0,2,0,0,0,0|1,0,0]=3 5048 B16R2.1056 CCSCc1cc2ccccc2nc1Cl 62a_100000210202_100000189640 [0,2,0,0,0,0|1,1,0]=4 5049 B16R2.1056 CNCCc1cc2ccccc2nc1Cl 2230a_106832991635_100000066995 [0,2,0,0,0,0|2,0,0]=4 5050 B16R2.1056 CNCCc1cc2ccccc2nc1Cl 34a_100102657272_100000066995 [0,2,0,0,0,0|2,0,0]=4 5051 B16R2.1056 CNCCc1cc2ccccc2nc1Cl 7a_106832991635_100000066995 [0,2,0,0,0,0|2,0,0]=4 5052 B16R2.1056 COCCc1cc2ccccc2nc1Cl 34a_100138415774_100000066995 [0,2,0,0,0,0|2,0,0]=4 5053 B16R2.1056 COCSc1cc2ccccc2cc1Br 62a_100000766300_200010169544 [0,2,0,0,0,0|0,1,0]=3 5054 B16R2.1056 COCSc1cc2ccccc2cc1Br 62a_200010169544_100000766300 [0,2,0,0,0,0|0,1,0]=3 5055 B16R2.1056 COCSc1cc2ccccc2cc1Cl 62a_100000766300_100010152806 [0,2,0,0,0,0|0,1,0]=3 5056 B16R2.1056 COCSc1cc2ccccc2cc1Cl 62a_100010152806_100000766300 [0,2,0,0,0,0|0,1,0]=3 5057 B16R2.1056 COCSc1cc2ccccc2cc1N 62a_100000766300_100009991566 [0,2,0,0,0,0|0,1,0]=3 5058 B16R2.1056 COCSc1cc2ccccc2cc1N 62a_100009991566_100000766300 [0,2,0,0,0,0|0,1,0]=3 5059 B16R2.1056 COCSc1cc2ccccc2cc1O 62a_100000766300_100009817189 [0,2,0,0,0,0|0,1,0]=3 5060 B16R2.1056 COCSc1cc2ccccc2nc1Cl 62a_100000766300_100010220712 [0,2,0,0,0,0|1,1,0]=4 5061 B16R2.1056 COCSc1cc2ccccc2nc1F 62a_100000766300_100011158909 [0,2,0,0,0,0|1,1,0]=4 5062 B16R2.1056 COCSc1cc2ccccc2nc1F 62a_100011158909_100000766300 [0,2,0,0,0,0|1,1,0]=4 5063 B16R2.1056 COCSc1cc2ccccc2nc1N 62a_100010135404_100000766300 [0,2,0,0,0,0|1,1,0]=4 5064 B16R2.1056 COCSc1cc2ccccc2nc1O 62a_100000766300_200009820883 [0,2,0,0,0,0|1,1,0]=4 5065 B16R2.1056 COCSc1cc2ccccc2oc1=O 62a_100000766300_200000187772 [0,2,0,0,0,0|1,1,0]=4 5066 B16R2.1056 COCSc1cc2cccnc2cc1C 62a_100000766300_100010137429 [0,2,0,0,0,0|1,1,0]=4 5067 B16R2.1056 COCSc1cc2cccnc2cc1C 62a_100010137429_100000766300 [0,2,0,0,0,0|1,1,0]=4 5068 B16R2.1056 COCSc1cc2cccnc2cc1F 62a_100000766300_100009854028 [0,2,0,0,0,0|1,1,0]=4 5069 B16R2.1056 COCSc1cc2cccnc2cc1F 62a_100009854028_100000766300 [0,2,0,0,0,0|1,1,0]=4 5070 B16R2.1056 COCSc1cc2ccncc2cc1F 62a_100000766300_100011105921 [0,2,0,0,0,0|1,1,0]=4 5071 B16R2.1056 COCSc1cc2ccncc2cc1F 62a_100011105921_100000766300 [0,2,0,0,0,0|1,1,0]=4 5072 B16R2.1056 COCSc1cc2cnccc2cc1F 62a_100000766300_100010244713 [0,2,0,0,0,0|1,1,0]=4 5073 B16R2.1056 COCSc1cc2cnccc2cc1F 62a_100010244713_100000766300 [0,2,0,0,0,0|1,1,0]=4 5074 B16R2.1056 COCSc1cc2ncccc2cc1O 62a_100000766300_200010153759 [0,2,0,0,0,0|1,1,0]=4 5075 B16R2.1056 COCSc1nc2ccccc2cc1Br 62a_100000766300_100010072790 [0,2,0,0,0,0|1,1,0]=4 5076 B16R2.1056 COCSc1nc2ccccc2cc1Br 62a_100010072790_100000766300 [0,2,0,0,0,0|1,1,0]=4 5077 B16R2.1056 COCSc1nc2ccccc2cc1C 62a_100000766300_100000751756 [0,2,0,0,0,0|1,1,0]=4 5078 B16R2.1056 COCSc1nc2ccccc2cc1O 62a_100000766300_200000100762 [0,2,0,0,0,0|1,1,0]=4 5079 B16R2.1056 CSCCc1cc2ccccc2nc1Cl 62a_200000210301_100000066995 [0,2,0,0,0,0|2,0,0]=4 5080 B16R2.1056 CSCNc1cc2ccccc2cc1Br 34a_100009991566_100011218213 [0,2,0,0,0,0|1,0,0]=3 5081 B16R2.1056 CSCOc1cc2ccccc2cc1Br 34a_100009817189_100011218213 [0,2,0,0,0,0|0,0,0]=2 5082 B16R2.1056 CSCOc1cc2ccccc2cc1C 34a_100000091601_100011218213 [0,2,0,0,0,0|0,0,0]=2 5083 B16R2.1056 CSCOc1cc2ccccc2cc1N 34a_106744474703_100011218213 [0,2,0,0,0,0|0,0,0]=2 5084 B16R2.1056 CSCOc1cc2ccccc2nc1C 34a_200000079175_100011218213 [0,2,0,0,0,0|1,0,0]=3 5085 B16R2.1056 CSCOc1cc2ccccc2nc1Cl 34a_200000100762_100011218213 [0,2,0,0,0,0|1,0,0]=3 5086 B16R2.1056 CSCOc1cc2cccnc2cc1Br 34a_200010153759_100011218213 [0,2,0,0,0,0|1,0,0]=3 5087 B16R2.1056 CSCSc1cc2ccccc2cc1Br 62a_100011218213_200010169544 [0,2,0,0,0,0|0,1,0]=3 5088 B16R2.1056 CSCSc1cc2ccccc2cc1Br 62a_200010169544_100011218213 [0,2,0,0,0,0|0,1,0]=3 5089 B16R2.1056 CSCSc1cc2ccccc2cc1Cl 62a_100010152806_100011218213 [0,2,0,0,0,0|0,1,0]=3 5090 B16R2.1056 CSCSc1cc2ccccc2cc1Cl 62a_100011218213_100010152806 [0,2,0,0,0,0|0,1,0]=3 5091 B16R2.1056 CSCSc1cc2ccccc2cc1N 62a_100009991566_100011218213 [0,2,0,0,0,0|0,1,0]=3 5092 B16R2.1056 CSCSc1cc2ccccc2cc1N 62a_100011218213_100009991566 [0,2,0,0,0,0|0,1,0]=3 5093 B16R2.1056 CSCSc1cc2ccccc2cc1O 62a_100011218213_100009817189 [0,2,0,0,0,0|0,1,0]=3 5094 B16R2.1056 CSCSc1cc2ccccc2nc1Cl 62a_100011218213_100010220712 [0,2,0,0,0,0|1,1,0]=4 5095 B16R2.1056 CSCSc1cc2ccccc2nc1F 62a_100011158909_100011218213 [0,2,0,0,0,0|1,1,0]=4 5096 B16R2.1056 CSCSc1cc2ccccc2nc1F 62a_100011218213_100011158909 [0,2,0,0,0,0|1,1,0]=4 5097 B16R2.1056 CSCSc1cc2ccccc2nc1N 62a_100010135404_100011218213 [0,2,0,0,0,0|1,1,0]=4 5098 B16R2.1056 CSCSc1cc2ccccc2nc1O 62a_100011218213_200009820883 [0,2,0,0,0,0|1,1,0]=4 5099 B16R2.1056 CSCSc1cc2ccccc2oc1=O 62a_100011218213_200000187772 [0,2,0,0,0,0|1,1,0]=4 5100 B16R2.1056 CSCSc1cc2cccnc2cc1C 62a_100010137429_100011218213 [0,2,0,0,0,0|1,1,0]=4 5101 B16R2.1056 CSCSc1cc2cccnc2cc1C 62a_100011218213_100010137429 [0,2,0,0,0,0|1,1,0]=4 5102 B16R2.1056 CSCSc1cc2cccnc2cc1F 62a_100009854028_100011218213 [0,2,0,0,0,0|1,1,0]=4 5103 B16R2.1056 CSCSc1cc2cccnc2cc1F 62a_100011218213_100009854028 [0,2,0,0,0,0|1,1,0]=4 5104 B16R2.1056 CSCSc1cc2ccncc2cc1F 62a_100011105921_100011218213 [0,2,0,0,0,0|1,1,0]=4 5105 B16R2.1056 CSCSc1cc2ccncc2cc1F 62a_100011218213_100011105921 [0,2,0,0,0,0|1,1,0]=4 5106 B16R2.1056 CSCSc1cc2cnccc2cc1F 62a_100010244713_100011218213 [0,2,0,0,0,0|1,1,0]=4 5107 B16R2.1056 CSCSc1cc2cnccc2cc1F 62a_100011218213_100010244713 [0,2,0,0,0,0|1,1,0]=4 5108 B16R2.1056 CSCSc1cc2ncccc2cc1O 62a_100011218213_200010153759 [0,2,0,0,0,0|1,1,0]=4 5109 B16R2.1056 CSCSc1nc2ccccc2cc1Br 62a_100010072790_100011218213 [0,2,0,0,0,0|1,1,0]=4 5110 B16R2.1056 CSCSc1nc2ccccc2cc1Br 62a_100011218213_100010072790 [0,2,0,0,0,0|1,1,0]=4 5111 B16R2.1056 CSCSc1nc2ccccc2cc1C 62a_100011218213_100000751756 [0,2,0,0,0,0|1,1,0]=4 5112 B16R2.1056 CSCSc1nc2ccccc2cc1O 62a_100011218213_200000100762 [0,2,0,0,0,0|1,1,0]=4 5113 B16R2.1056 Cc1cc2ccccc2cc1OCC#N 7a_100000091601_100011215382 [0,2,0,0,0,0|0,0,1]=3 5114 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 34a_100000091601_200009817547 [0,2,0,0,0,0|0,0,1]=3 5115 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 7a_100000091601_200015260668 [0,2,0,0,0,0|0,0,1]=3 5116 B16R2.1056 Cc1cc2ccccc2cc1OCCF 34a_100000091601_100011217306 [0,2,0,0,0,0|0,0,0]=2 5117 B16R2.1056 Cc1cc2ccccc2cc1OCCF 7a_100000091601_100011217306 [0,2,0,0,0,0|0,0,0]=2 5118 B16R2.1056 Cc1cc2ccccc2cc1OCCO 34a_100000091601_100000211926 [0,2,0,0,0,0|0,0,0]=2 5119 B16R2.1056 Cc1cc2ccccc2cc1OCCO 7a_100000091601_100000211926 [0,2,0,0,0,0|0,0,0]=2 5120 B16R2.1056 Cc1cc2ccccc2nc1NCCO 27a_100000210304_100000751756 [0,2,0,0,0,0|2,0,0]=4 5121 B16R2.1056 Cc1cc2ccccc2nc1SCCF 62a_100011217306_100000751756 [0,2,0,0,0,0|1,1,0]=4 5122 B16R2.1056 Cc1cc2ccccc2nc1SCCO 62a_100000211926_100000751756 [0,2,0,0,0,0|1,1,0]=4 5123 B16R2.1056 Cc1cc2ncccc2cc1SCCF 62a_100010137429_100011217306 [0,2,0,0,0,0|1,1,0]=4 5124 B16R2.1056 Cc1cc2ncccc2cc1SCCF 62a_100011217306_100010137429 [0,2,0,0,0,0|1,1,0]=4 5125 B16R2.1056 Cc1cc2ncccc2cc1SCCO 62a_100000211926_100010137429 [0,2,0,0,0,0|1,1,0]=4 5126 B16R2.1056 Cc1cc2ncccc2cc1SCCO 62a_100010137429_100000211926 [0,2,0,0,0,0|1,1,0]=4 5127 B16R2.1056 Cc1nc2ccccc2cc1OCC#N 7a_200000079175_100011215382 [0,2,0,0,0,0|1,0,1]=4 5128 B16R2.1056 Cc1nc2ccccc2cc1OCC=O 34a_200000079175_200009817547 [0,2,0,0,0,0|1,0,1]=4 5129 B16R2.1056 Cc1nc2ccccc2cc1OCC=O 7a_200000079175_200015260668 [0,2,0,0,0,0|1,0,1]=4 5130 B16R2.1056 Cc1nc2ccccc2cc1OCCF 34a_200000079175_100011217306 [0,2,0,0,0,0|1,0,0]=3 5131 B16R2.1056 Cc1nc2ccccc2cc1OCCF 7a_200000079175_100011217306 [0,2,0,0,0,0|1,0,0]=3 5132 B16R2.1056 Cc1nc2ccccc2cc1OCCO 34a_200000079175_100000211926 [0,2,0,0,0,0|1,0,0]=3 5133 B16R2.1056 Cc1nc2ccccc2cc1OCCO 7a_200000079175_100000211926 [0,2,0,0,0,0|1,0,0]=3 5134 B16R2.1056 FCCNc1cc2ccccc2cc1Br 34a_100009991566_100011217306 [0,2,0,0,0,0|1,0,0]=3 5135 B16R2.1056 FCCNc1cc2ccccc2cc1Br 7a_100009991566_100011217306 [0,2,0,0,0,0|1,0,0]=3 5136 B16R2.1056 FCCOc1cc2ccccc2cc1Br 34a_100009817189_100011217306 [0,2,0,0,0,0|0,0,0]=2 5137 B16R2.1056 FCCOc1cc2ccccc2cc1Br 7a_100009817189_100011217306 [0,2,0,0,0,0|0,0,0]=2 5138 B16R2.1056 FCCOc1cc2ccccc2nc1Cl 34a_200000100762_100011217306 [0,2,0,0,0,0|1,0,0]=3 5139 B16R2.1056 FCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011217306 [0,2,0,0,0,0|1,0,0]=3 5140 B16R2.1056 FCCOc1cc2cccnc2cc1Br 34a_200010153759_100011217306 [0,2,0,0,0,0|1,0,0]=3 5141 B16R2.1056 FCCOc1cc2cccnc2cc1Br 7a_200010153759_100011217306 [0,2,0,0,0,0|1,0,0]=3 5142 B16R2.1056 FCCSc1cc2ccccc2cc1Br 62a_100011217306_200010169544 [0,2,0,0,0,0|0,1,0]=3 5143 B16R2.1056 FCCSc1cc2ccccc2cc1Br 62a_200010169544_100011217306 [0,2,0,0,0,0|0,1,0]=3 5144 B16R2.1056 FCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011217306 [0,2,0,0,0,0|0,1,0]=3 5145 B16R2.1056 FCCSc1cc2ccccc2cc1Cl 62a_100011217306_100010152806 [0,2,0,0,0,0|0,1,0]=3 5146 B16R2.1056 FCCSc1cc2ccccc2nc1Cl 62a_100011217306_100010220712 [0,2,0,0,0,0|1,1,0]=4 5147 B16R2.1056 FCCSc1cc2ccccc2nc1F 62a_100011158909_100011217306 [0,2,0,0,0,0|1,1,0]=4 5148 B16R2.1056 FCCSc1cc2ccccc2nc1F 62a_100011217306_100011158909 [0,2,0,0,0,0|1,1,0]=4 5149 B16R2.1056 FCCSc1cc2cccnc2cc1F 62a_100009854028_100011217306 [0,2,0,0,0,0|1,1,0]=4 5150 B16R2.1056 FCCSc1cc2cccnc2cc1F 62a_100011217306_100009854028 [0,2,0,0,0,0|1,1,0]=4 5151 B16R2.1056 FCCSc1cc2ccncc2cc1F 62a_100011105921_100011217306 [0,2,0,0,0,0|1,1,0]=4 5152 B16R2.1056 FCCSc1cc2ccncc2cc1F 62a_100011217306_100011105921 [0,2,0,0,0,0|1,1,0]=4 5153 B16R2.1056 FCCSc1cc2cnccc2cc1F 62a_100010244713_100011217306 [0,2,0,0,0,0|1,1,0]=4 5154 B16R2.1056 FCCSc1cc2cnccc2cc1F 62a_100011217306_100010244713 [0,2,0,0,0,0|1,1,0]=4 5155 B16R2.1056 FCCSc1nc2ccccc2cc1Br 62a_100010072790_100011217306 [0,2,0,0,0,0|1,1,0]=4 5156 B16R2.1056 FCCSc1nc2ccccc2cc1Br 62a_100011217306_100010072790 [0,2,0,0,0,0|1,1,0]=4 5157 B16R2.1056 FCOCc1cc2ccccc2nc1Cl 34a_100000754719_100015361967 [0,2,0,0,0,0|2,0,0]=4 5158 B16R2.1056 FCOCc1cc2ccccc2nc1Cl 7a_100000754719_100015361967 [0,2,0,0,0,0|2,0,0]=4 5159 B16R2.1056 N#CCNc1cc2ccccc2cc1Br 7a_100009991566_100011215382 [0,2,0,0,0,0|1,0,1]=4 5160 B16R2.1056 N#CCOc1cc2ccccc2cc1Br 7a_100009817189_100011215382 [0,2,0,0,0,0|0,0,1]=3 5161 B16R2.1056 N#CCOc1cc2ccccc2cc1N 7a_106744474703_100011215382 [0,2,0,0,0,0|0,0,1]=3 5162 B16R2.1056 N#CCOc1cc2ccccc2nc1Cl 7a_200000100762_100011215382 [0,2,0,0,0,0|1,0,1]=4 5163 B16R2.1056 N#CCOc1cc2ccccc2oc1=O 7a_100000061252_100011215382 [0,2,0,0,0,0|1,0,1]=4 5164 B16R2.1056 N#CCOc1cc2cccnc2cc1Br 7a_200010153759_100011215382 [0,2,0,0,0,0|1,0,1]=4 5165 B16R2.1056 N#CCSc1cc2ccccc2cc1Br 62a_100011215382_200010169544 [0,2,0,0,0,0|0,1,1]=4 5166 B16R2.1056 N#CCSc1cc2ccccc2cc1Br 62a_200010169544_100011215382 [0,2,0,0,0,0|0,1,1]=4 5167 B16R2.1056 N#CCSc1cc2ccccc2cc1Cl 62a_100010152806_100011215382 [0,2,0,0,0,0|0,1,1]=4 5168 B16R2.1056 N#CCSc1cc2ccccc2cc1Cl 62a_100011215382_100010152806 [0,2,0,0,0,0|0,1,1]=4 5169 B16R2.1056 N#CCSc1cc2ccccc2cc1N 62a_100009991566_100011215382 [0,2,0,0,0,0|0,1,1]=4 5170 B16R2.1056 N#CCSc1cc2ccccc2cc1N 62a_100011215382_100009991566 [0,2,0,0,0,0|0,1,1]=4 5171 B16R2.1056 N#CCSc1cc2ccccc2cc1O 62a_100011215382_100009817189 [0,2,0,0,0,0|0,1,1]=4 5172 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 34a_106744474703_200009817547 [0,2,0,0,0,0|0,0,1]=3 5173 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 7a_106744474703_200015260668 [0,2,0,0,0,0|0,0,1]=3 5174 B16R2.1056 Nc1cc2ccccc2cc1OCCF 34a_106744474703_100011217306 [0,2,0,0,0,0|0,0,0]=2 5175 B16R2.1056 Nc1cc2ccccc2cc1OCCF 7a_106744474703_100011217306 [0,2,0,0,0,0|0,0,0]=2 5176 B16R2.1056 Nc1cc2ccccc2cc1OCCO 34a_106744474703_100000211926 [0,2,0,0,0,0|0,0,0]=2 5177 B16R2.1056 Nc1cc2ccccc2cc1OCCO 7a_106744474703_100000211926 [0,2,0,0,0,0|0,0,0]=2 5178 B16R2.1056 Nc1cc2ccccc2cc1SCC=O 62a_100009991566_200015260668 [0,2,0,0,0,0|0,1,1]=4 5179 B16R2.1056 Nc1cc2ccccc2cc1SCC=O 62a_200015260668_100009991566 [0,2,0,0,0,0|0,1,1]=4 5180 B16R2.1056 Nc1cc2ccccc2cc1SCCF 62a_100009991566_100011217306 [0,2,0,0,0,0|0,1,0]=3 5181 B16R2.1056 Nc1cc2ccccc2cc1SCCF 62a_100011217306_100009991566 [0,2,0,0,0,0|0,1,0]=3 5182 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100000211926_100009991566 [0,2,0,0,0,0|0,1,0]=3 5183 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100009991566_100000211926 [0,2,0,0,0,0|0,1,0]=3 5184 B16R2.1056 Nc1nc2ccccc2cc1SCCF 62a_100010135404_100011217306 [0,2,0,0,0,0|1,1,0]=4 5185 B16R2.1056 Nc1nc2ccccc2cc1SCCO 62a_100010135404_100000211926 [0,2,0,0,0,0|1,1,0]=4 5186 B16R2.1056 O=CCNc1cc2ccccc2cc1Br 34a_100009991566_200009817547 [0,2,0,0,0,0|1,0,1]=4 5187 B16R2.1056 O=CCNc1cc2ccccc2cc1Br 7a_100009991566_200015260668 [0,2,0,0,0,0|1,0,1]=4 5188 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 34a_100009817189_200009817547 [0,2,0,0,0,0|0,0,1]=3 5189 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 7a_100009817189_200015260668 [0,2,0,0,0,0|0,0,1]=3 5190 B16R2.1056 O=CCOc1cc2ccccc2nc1Cl 34a_200000100762_200009817547 [0,2,0,0,0,0|1,0,1]=4 5191 B16R2.1056 O=CCOc1cc2ccccc2nc1Cl 7a_200000100762_200015260668 [0,2,0,0,0,0|1,0,1]=4 5192 B16R2.1056 O=CCOc1cc2ccccc2oc1=O 7a_100000061252_200015260668 [0,2,0,0,0,0|1,0,1]=4 5193 B16R2.1056 O=CCOc1cc2cccnc2cc1Br 34a_200010153759_200009817547 [0,2,0,0,0,0|1,0,1]=4 5194 B16R2.1056 O=CCOc1cc2cccnc2cc1Br 7a_200010153759_200015260668 [0,2,0,0,0,0|1,0,1]=4 5195 B16R2.1056 O=CCSc1cc2ccccc2cc1Br 62a_200010169544_200015260668 [0,2,0,0,0,0|0,1,1]=4 5196 B16R2.1056 O=CCSc1cc2ccccc2cc1Br 62a_200015260668_200010169544 [0,2,0,0,0,0|0,1,1]=4 5197 B16R2.1056 O=CCSc1cc2ccccc2cc1Cl 62a_100010152806_200015260668 [0,2,0,0,0,0|0,1,1]=4 5198 B16R2.1056 O=CCSc1cc2ccccc2cc1Cl 62a_200015260668_100010152806 [0,2,0,0,0,0|0,1,1]=4 5199 B16R2.1056 O=CCSc1cc2ccccc2cc1O 62a_200015260668_100009817189 [0,2,0,0,0,0|0,1,1]=4 5200 B16R2.1056 O=c1oc2ccccc2cc1OCCF 7a_100000061252_100011217306 [0,2,0,0,0,0|1,0,0]=3 5201 B16R2.1056 O=c1oc2ccccc2cc1OCCO 7a_100000061252_100000211926 [0,2,0,0,0,0|1,0,0]=3 5202 B16R2.1056 O=c1oc2ccccc2cc1SCCF 62a_100011217306_200000187772 [0,2,0,0,0,0|1,1,0]=4 5203 B16R2.1056 O=c1oc2ccccc2cc1SCCO 62a_100000211926_200000187772 [0,2,0,0,0,0|1,1,0]=4 5204 B16R2.1056 OCCNc1cc2ccccc2cc1Br 34a_100009991566_100000211926 [0,2,0,0,0,0|1,0,0]=3 5205 B16R2.1056 OCCNc1cc2ccccc2cc1Br 7a_100009991566_100000211926 [0,2,0,0,0,0|1,0,0]=3 5206 B16R2.1056 OCCOc1cc2ccccc2cc1Br 34a_100009817189_100000211926 [0,2,0,0,0,0|0,0,0]=2 5207 B16R2.1056 OCCOc1cc2ccccc2cc1Br 7a_100009817189_100000211926 [0,2,0,0,0,0|0,0,0]=2 5208 B16R2.1056 OCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000211926 [0,2,0,0,0,0|1,0,0]=3 5209 B16R2.1056 OCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000211926 [0,2,0,0,0,0|1,0,0]=3 5210 B16R2.1056 OCCOc1cc2cccnc2cc1Br 34a_200010153759_100000211926 [0,2,0,0,0,0|1,0,0]=3 5211 B16R2.1056 OCCOc1cc2cccnc2cc1Br 7a_200010153759_100000211926 [0,2,0,0,0,0|1,0,0]=3 5212 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_100000211926_200010169544 [0,2,0,0,0,0|0,1,0]=3 5213 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_200010169544_100000211926 [0,2,0,0,0,0|0,1,0]=3 5214 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100000211926_100010152806 [0,2,0,0,0,0|0,1,0]=3 5215 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000211926 [0,2,0,0,0,0|0,1,0]=3 5216 B16R2.1056 OCCSc1cc2ccccc2cc1O 62a_100000211926_100009817189 [0,2,0,0,0,0|0,1,0]=3 5217 B16R2.1056 OCCSc1cc2ccccc2nc1Cl 62a_100000211926_100010220712 [0,2,0,0,0,0|1,1,0]=4 5218 B16R2.1056 OCCSc1cc2ccccc2nc1F 62a_100000211926_100011158909 [0,2,0,0,0,0|1,1,0]=4 5219 B16R2.1056 OCCSc1cc2ccccc2nc1F 62a_100011158909_100000211926 [0,2,0,0,0,0|1,1,0]=4 5220 B16R2.1056 OCCSc1cc2ccccc2nc1O 62a_100000211926_200009820883 [0,2,0,0,0,0|1,1,0]=4 5221 B16R2.1056 OCCSc1cc2cccnc2cc1F 62a_100000211926_100009854028 [0,2,0,0,0,0|1,1,0]=4 5222 B16R2.1056 OCCSc1cc2cccnc2cc1F 62a_100009854028_100000211926 [0,2,0,0,0,0|1,1,0]=4 5223 B16R2.1056 OCCSc1cc2ccncc2cc1F 62a_100000211926_100011105921 [0,2,0,0,0,0|1,1,0]=4 5224 B16R2.1056 OCCSc1cc2ccncc2cc1F 62a_100011105921_100000211926 [0,2,0,0,0,0|1,1,0]=4 5225 B16R2.1056 OCCSc1cc2cnccc2cc1F 62a_100000211926_100010244713 [0,2,0,0,0,0|1,1,0]=4 5226 B16R2.1056 OCCSc1cc2cnccc2cc1F 62a_100010244713_100000211926 [0,2,0,0,0,0|1,1,0]=4 5227 B16R2.1056 OCCSc1cc2ncccc2cc1O 62a_100000211926_200010153759 [0,2,0,0,0,0|1,1,0]=4 5228 B16R2.1056 OCCSc1nc2ccccc2cc1Br 62a_100000211926_100010072790 [0,2,0,0,0,0|1,1,0]=4 5229 B16R2.1056 OCCSc1nc2ccccc2cc1Br 62a_100010072790_100000211926 [0,2,0,0,0,0|1,1,0]=4 5230 B16R2.1056 OCCSc1nc2ccccc2cc1O 62a_100000211926_200000100762 [0,2,0,0,0,0|1,1,0]=4 5231 B16R2.1056 Oc1cc2ccccc2cc1SCCF 62a_100011217306_100009817189 [0,2,0,0,0,0|0,1,0]=3 5232 B16R2.1056 Oc1cc2ccccc2nc1SCCF 62a_100011217306_200000100762 [0,2,0,0,0,0|1,1,0]=4 5233 B16R2.1056 Oc1cc2cccnc2cc1SCCF 62a_100011217306_200010153759 [0,2,0,0,0,0|1,1,0]=4 5234 B16R2.1056 Oc1nc2ccccc2cc1SCCF 62a_100011217306_200009820883 [0,2,0,0,0,0|1,1,0]=4 5235 B16R2.1056 [13CH3]SCCc1cc2ccccc2nc1Cl 62a_200025704644_100000066995 [0,2,0,0,0,0|2,0,0]=4 5236 B16R2.1285 C#CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000184674 [0,2,0,0,0,0|1,0,1]=4 5237 B16R2.1285 C#CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000038162 [0,2,0,0,0,0|1,0,1]=4 5238 B16R2.1285 C#CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000184674 [0,2,0,0,0,0|1,0,1]=4 5239 B16R2.1285 C#CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000038162 [0,2,0,0,0,0|1,0,1]=4 5240 B16R2.1285 C#CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000184674 [0,2,0,0,0,0|1,0,1]=4 5241 B16R2.1285 C#CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000184674 [0,2,0,0,0,0|1,0,1]=4 5242 B16R2.1285 C#CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000038162 [0,2,0,0,0,0|1,0,1]=4 5243 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000184674 [0,2,0,0,0,0|0,0,1]=3 5244 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000038162 [0,2,0,0,0,0|0,0,1]=3 5245 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000184674 [0,2,0,0,0,0|0,0,1]=3 5246 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000038162 [0,2,0,0,0,0|0,0,1]=3 5247 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000184674 [0,2,0,0,0,0|0,0,1]=3 5248 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000038162 [0,2,0,0,0,0|0,0,1]=3 5249 B16R2.1285 C#CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000184674 [0,2,0,0,0,0|1,0,1]=4 5250 B16R2.1285 C#CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000038162 [0,2,0,0,0,0|1,0,1]=4 5251 B16R2.1285 C#CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000184674 [0,2,0,0,0,0|1,0,1]=4 5252 B16R2.1285 C#CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000038162 [0,2,0,0,0,0|1,0,1]=4 5253 B16R2.1285 C#CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000184674 [0,2,0,0,0,0|1,0,1]=4 5254 B16R2.1285 C#CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000038162 [0,2,0,0,0,0|1,0,1]=4 5255 B16R2.1285 C#CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000184674 [0,2,0,0,0,0|1,0,1]=4 5256 B16R2.1285 C#CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000038162 [0,2,0,0,0,0|1,0,1]=4 5257 B16R2.1285 C#CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000184674 [0,2,0,0,0,0|1,0,1]=4 5258 B16R2.1285 C#CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000038162 [0,2,0,0,0,0|1,0,1]=4 5259 B16R2.1285 C#CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000184674 [0,2,0,0,0,0|1,0,1]=4 5260 B16R2.1285 C#CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000038162 [0,2,0,0,0,0|1,0,1]=4 5261 B16R2.1285 C#CCSc1ccc2ccc(cc2c1)N 62a_100000038162_100010090036 [0,2,0,0,0,0|0,1,1]=4 5262 B16R2.1285 C#CCSc1ccc2ccc(cc2c1)O 62a_100000038162_100009816537 [0,2,0,0,0,0|0,1,1]=4 5263 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100015514636 [0,2,0,0,0,0|1,0,1]=4 5264 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100015514636 [0,2,0,0,0,0|1,0,1]=4 5265 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100015514636 [0,2,0,0,0,0|1,0,1]=4 5266 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100015514636 [0,2,0,0,0,0|1,0,1]=4 5267 B16R2.1285 C=CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100015514636 [0,2,0,0,0,0|1,0,1]=4 5268 B16R2.1285 C=CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100015514636 [0,2,0,0,0,0|1,0,1]=4 5269 B16R2.1285 C=CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100015514636 [0,2,0,0,0,0|1,0,1]=4 5270 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015514636 [0,2,0,0,0,0|0,0,1]=3 5271 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015514636 [0,2,0,0,0,0|0,0,1]=3 5272 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100015514636 [0,2,0,0,0,0|0,0,1]=3 5273 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100015514636 [0,2,0,0,0,0|0,0,1]=3 5274 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100015514636 [0,2,0,0,0,0|0,0,1]=3 5275 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100015514636 [0,2,0,0,0,0|0,0,1]=3 5276 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100015514636 [0,2,0,0,0,0|1,0,1]=4 5277 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100015514636 [0,2,0,0,0,0|1,0,1]=4 5278 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100015514636 [0,2,0,0,0,0|1,0,1]=4 5279 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100015514636 [0,2,0,0,0,0|1,0,1]=4 5280 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100015514636 [0,2,0,0,0,0|1,0,1]=4 5281 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100015514636 [0,2,0,0,0,0|1,0,1]=4 5282 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100015514636 [0,2,0,0,0,0|1,0,1]=4 5283 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100015514636 [0,2,0,0,0,0|1,0,1]=4 5284 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100015514636 [0,2,0,0,0,0|1,0,1]=4 5285 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100015514636 [0,2,0,0,0,0|1,0,1]=4 5286 B16R2.1285 C=CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100015514636 [0,2,0,0,0,0|1,0,1]=4 5287 B16R2.1285 C=CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100015514636 [0,2,0,0,0,0|1,0,1]=4 5288 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)N 62a_100000210623_100010090036 [0,2,0,0,0,0|0,1,1]=4 5289 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210623 [0,2,0,0,0,0|0,1,1]=4 5290 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)O 62a_100000210623_100009816537 [0,2,0,0,0,0|0,1,1]=4 5291 B16R2.1285 CCCCc1cc2cc(ccc2cn1)F 271570a_100020621405_100009828686 [0,2,0,0,0,0|2,0,0]=4 5292 B16R2.1285 CCCCc1ccc2cc[n+](cc2c1)[O-] 271570a_100020621405_100009816120 [0,2,0,0,0,0|2,0,0]=4 5293 B16R2.1285 CCCCc1ccc2ccc(=O)oc2c1 271570a_100020621405_100009993525 [0,2,0,0,0,0|2,0,0]=4 5294 B16R2.1285 CCCCc1ccc2ccc(cc2c1)N 271570a_100020621405_100010090036 [0,2,0,0,0,0|1,0,0]=3 5295 B16R2.1285 CCCCc1ccc2ccc(cc2c1)O 271570a_100020621405_100009816537 [0,2,0,0,0,0|1,0,0]=3 5296 B16R2.1285 CCCCc1ccc2ccc(cc2n1)O 271570a_100020621405_100000079174 [0,2,0,0,0,0|2,0,0]=4 5297 B16R2.1285 CCCCc1ccc2ccc(nc2c1)C 271570a_100020621405_100009817087 [0,2,0,0,0,0|2,0,0]=4 5298 B16R2.1285 CCCCc1ccc2ccc(nc2c1)N 271570a_100020621405_100010187616 [0,2,0,0,0,0|2,0,0]=4 5299 B16R2.1285 CCCCc1ccc2ccc(nc2c1)O 271570a_100020621405_100000690401 [0,2,0,0,0,0|2,0,0]=4 5300 B16R2.1285 CCCCc1ccc2cnc(cc2c1)F 271570a_100020621405_100010291885 [0,2,0,0,0,0|2,0,0]=4 5301 B16R2.1285 CCCCc1ccc2cnc(cc2c1)N 271570a_100020621405_100009817123 [0,2,0,0,0,0|2,0,0]=4 5302 B16R2.1285 CCCCc1ccc2cnc(cc2c1)O 271570a_100020621405_100009817130 [0,2,0,0,0,0|2,0,0]=4 5303 B16R2.1285 CCCCc1ccc2ncc(cc2c1)Br 271570a_100020621405_200010254249 [0,2,0,0,0,0|2,0,0]=4 5304 B16R2.1285 CCCCc1ccc2ncc(cc2c1)C 271570a_100020621405_100009817055 [0,2,0,0,0,0|2,0,0]=4 5305 B16R2.1285 CCCCc1ccc2ncc(cc2c1)O 271570a_100020621405_100000703654 [0,2,0,0,0,0|2,0,0]=4 5306 B16R2.1285 CCCCc1cnc2ccc(cc2c1)Br 271570a_100020621405_100010740133 [0,2,0,0,0,0|2,0,0]=4 5307 B16R2.1285 CCCCc1cnc2ccc(cc2c1)C 271570a_100020621405_100015841224 [0,2,0,0,0,0|2,0,0]=4 5308 B16R2.1285 CCCCc1cnc2ccc(cc2c1)Cl 271570a_100020621405_100015929906 [0,2,0,0,0,0|2,0,0]=4 5309 B16R2.1285 CCCCc1cnc2ccc(cc2c1)N 271570a_100020621405_100009888932 [0,2,0,0,0,0|2,0,0]=4 5310 B16R2.1285 CCCCc1cnc2ccc(cc2c1)O 271570a_100020621405_100010137430 [0,2,0,0,0,0|2,0,0]=4 5311 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210303 [0,2,0,0,0,0|1,0,0]=3 5312 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210303 [0,2,0,0,0,0|1,0,0]=3 5313 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210303 [0,2,0,0,0,0|1,0,0]=3 5314 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210303 [0,2,0,0,0,0|1,0,0]=3 5315 B16R2.1285 CCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210303 [0,2,0,0,0,0|2,0,0]=4 5316 B16R2.1285 CCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210303 [0,2,0,0,0,0|1,0,0]=3 5317 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210303 [0,2,0,0,0,0|1,0,0]=3 5318 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210303 [0,2,0,0,0,0|1,0,0]=3 5319 B16R2.1285 CCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210303 [0,2,0,0,0,0|0,0,0]=2 5320 B16R2.1285 CCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210303 [0,2,0,0,0,0|0,0,0]=2 5321 B16R2.1285 CCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210303 [0,2,0,0,0,0|0,0,0]=2 5322 B16R2.1285 CCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210303 [0,2,0,0,0,0|0,0,0]=2 5323 B16R2.1285 CCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210303 [0,2,0,0,0,0|0,0,0]=2 5324 B16R2.1285 CCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210303 [0,2,0,0,0,0|0,0,0]=2 5325 B16R2.1285 CCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210303 [0,2,0,0,0,0|1,0,0]=3 5326 B16R2.1285 CCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210303 [0,2,0,0,0,0|1,0,0]=3 5327 B16R2.1285 CCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210303 [0,2,0,0,0,0|1,0,0]=3 5328 B16R2.1285 CCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210303 [0,2,0,0,0,0|1,0,0]=3 5329 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210303 [0,2,0,0,0,0|1,0,0]=3 5330 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210303 [0,2,0,0,0,0|1,0,0]=3 5331 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210303 [0,2,0,0,0,0|1,0,0]=3 5332 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210303 [0,2,0,0,0,0|1,0,0]=3 5333 B16R2.1285 CCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210303 [0,2,0,0,0,0|1,0,0]=3 5334 B16R2.1285 CCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210303 [0,2,0,0,0,0|1,0,0]=3 5335 B16R2.1285 CCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210303 [0,2,0,0,0,0|2,0,0]=4 5336 B16R2.1285 CCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210303 [0,2,0,0,0,0|1,0,0]=3 5337 B16R2.1285 CCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210303 [0,2,0,0,0,0|1,0,0]=3 5338 B16R2.1285 CCCSc1cc2cc(ccc2cn1)F 62a_100000210303_100009828686 [0,2,0,0,0,0|1,1,0]=4 5339 B16R2.1285 CCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210303 [0,2,0,0,0,0|1,1,0]=4 5340 B16R2.1285 CCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210303_100009816120 [0,2,0,0,0,0|1,1,0]=4 5341 B16R2.1285 CCCSc1ccc2ccc(=O)oc2c1 62a_100000210303_100009993525 [0,2,0,0,0,0|1,1,0]=4 5342 B16R2.1285 CCCSc1ccc2ccc(cc2c1)N 62a_100000210303_100010090036 [0,2,0,0,0,0|0,1,0]=3 5343 B16R2.1285 CCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210303 [0,2,0,0,0,0|0,1,0]=3 5344 B16R2.1285 CCCSc1ccc2ccc(cc2c1)O 62a_100000210303_100009816537 [0,2,0,0,0,0|0,1,0]=3 5345 B16R2.1285 CCCSc1ccc2ccc(cc2n1)O 62a_100000210303_100000079174 [0,2,0,0,0,0|1,1,0]=4 5346 B16R2.1285 CCCSc1ccc2ccc(nc2c1)C 62a_100000210303_100009817087 [0,2,0,0,0,0|1,1,0]=4 5347 B16R2.1285 CCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000210303 [0,2,0,0,0,0|1,1,0]=4 5348 B16R2.1285 CCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210303 [0,2,0,0,0,0|1,1,0]=4 5349 B16R2.1285 CCCSc1ccc2ccc(nc2c1)O 62a_100000210303_100000690401 [0,2,0,0,0,0|1,1,0]=4 5350 B16R2.1285 CCCSc1ccc2cnc(cc2c1)F 62a_100000210303_100010291885 [0,2,0,0,0,0|1,1,0]=4 5351 B16R2.1285 CCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210303 [0,2,0,0,0,0|1,1,0]=4 5352 B16R2.1285 CCCSc1ccc2cnc(cc2c1)N 62a_100000210303_100009817123 [0,2,0,0,0,0|1,1,0]=4 5353 B16R2.1285 CCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210303 [0,2,0,0,0,0|1,1,0]=4 5354 B16R2.1285 CCCSc1ccc2cnc(cc2c1)O 62a_100000210303_100009817130 [0,2,0,0,0,0|1,1,0]=4 5355 B16R2.1285 CCCSc1ccc2ncc(cc2c1)Br 62a_100000210303_200010254249 [0,2,0,0,0,0|1,1,0]=4 5356 B16R2.1285 CCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210303 [0,2,0,0,0,0|1,1,0]=4 5357 B16R2.1285 CCCSc1ccc2ncc(cc2c1)C 62a_100000210303_100009817055 [0,2,0,0,0,0|1,1,0]=4 5358 B16R2.1285 CCCSc1ccc2ncc(cc2c1)O 62a_100000210303_100000703654 [0,2,0,0,0,0|1,1,0]=4 5359 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Br 62a_100000210303_100010740133 [0,2,0,0,0,0|1,1,0]=4 5360 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210303 [0,2,0,0,0,0|1,1,0]=4 5361 B16R2.1285 CCCSc1cnc2ccc(cc2c1)C 62a_100000210303_100015841224 [0,2,0,0,0,0|1,1,0]=4 5362 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Cl 62a_100000210303_100015929906 [0,2,0,0,0,0|1,1,0]=4 5363 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210303 [0,2,0,0,0,0|1,1,0]=4 5364 B16R2.1285 CCCSc1cnc2ccc(cc2c1)N 62a_100000210303_100009888932 [0,2,0,0,0,0|1,1,0]=4 5365 B16R2.1285 CCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210303 [0,2,0,0,0,0|1,1,0]=4 5366 B16R2.1285 CCCSc1cnc2ccc(cc2c1)O 62a_100000210303_100010137430 [0,2,0,0,0,0|1,1,0]=4 5367 B16R2.1285 CCNCc1ccc2ccc(cc2c1)Br 207a_100015525214_100010200085 [0,2,0,0,0,0|1,0,0]=3 5368 B16R2.1285 CCNCc1ccc2ccc(cc2c1)Br 270004a_100015525214_100010200085 [0,2,0,0,0,0|1,0,0]=3 5369 B16R2.1285 CCNCc1ccc2ccc(cc2n1)Cl 207a_100015525214_100000083681 [0,2,0,0,0,0|2,0,0]=4 5370 B16R2.1285 CCNCc1ccc2ccc(cc2n1)Cl 2230a_100015525214_100010196396 [0,2,0,0,0,0|2,0,0]=4 5371 B16R2.1285 CCNCc1ccc2ccc(cc2n1)Cl 270004a_100015525214_100000083681 [0,2,0,0,0,0|2,0,0]=4 5372 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Br 207a_100015525214_100010174008 [0,2,0,0,0,0|2,0,0]=4 5373 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Br 270004a_100015525214_100010174008 [0,2,0,0,0,0|2,0,0]=4 5374 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Cl 207a_100015525214_200000110299 [0,2,0,0,0,0|2,0,0]=4 5375 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Cl 270004a_100015525214_200000110299 [0,2,0,0,0,0|2,0,0]=4 5376 B16R2.1285 CCOCc1ccc2ccc(cc2n1)Cl 34a_100121572206_100010196396 [0,2,0,0,0,0|1,0,0]=3 5377 B16R2.1285 CCSCc1ccc2ccc(cc2n1)Cl 62a_100000210202_100010196396 [0,2,0,0,0,0|1,1,0]=4 5378 B16R2.1285 CCSCc1ccc2ccc(cc2n1)Cl 62a_100010196396_100000210202 [0,2,0,0,0,0|1,1,0]=4 5379 B16R2.1285 COCSc1cc2cc(ccc2cn1)F 62a_100000766300_100009828686 [0,2,0,0,0,0|1,1,0]=4 5380 B16R2.1285 COCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000766300 [0,2,0,0,0,0|1,1,0]=4 5381 B16R2.1285 COCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000766300_100009816120 [0,2,0,0,0,0|1,1,0]=4 5382 B16R2.1285 COCSc1ccc2ccc(=O)oc2c1 62a_100000766300_100009993525 [0,2,0,0,0,0|1,1,0]=4 5383 B16R2.1285 COCSc1ccc2ccc(cc2c1)N 62a_100000766300_100010090036 [0,2,0,0,0,0|0,1,0]=3 5384 B16R2.1285 COCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000766300 [0,2,0,0,0,0|0,1,0]=3 5385 B16R2.1285 COCSc1ccc2ccc(cc2c1)O 62a_100000766300_100009816537 [0,2,0,0,0,0|0,1,0]=3 5386 B16R2.1285 COCSc1ccc2ccc(cc2n1)O 62a_100000766300_100000079174 [0,2,0,0,0,0|1,1,0]=4 5387 B16R2.1285 COCSc1ccc2ccc(nc2c1)C 62a_100000766300_100009817087 [0,2,0,0,0,0|1,1,0]=4 5388 B16R2.1285 COCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000766300 [0,2,0,0,0,0|1,1,0]=4 5389 B16R2.1285 COCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000766300 [0,2,0,0,0,0|1,1,0]=4 5390 B16R2.1285 COCSc1ccc2ccc(nc2c1)O 62a_100000766300_100000690401 [0,2,0,0,0,0|1,1,0]=4 5391 B16R2.1285 COCSc1ccc2cnc(cc2c1)F 62a_100000766300_100010291885 [0,2,0,0,0,0|1,1,0]=4 5392 B16R2.1285 COCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000766300 [0,2,0,0,0,0|1,1,0]=4 5393 B16R2.1285 COCSc1ccc2cnc(cc2c1)N 62a_100000766300_100009817123 [0,2,0,0,0,0|1,1,0]=4 5394 B16R2.1285 COCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000766300 [0,2,0,0,0,0|1,1,0]=4 5395 B16R2.1285 COCSc1ccc2cnc(cc2c1)O 62a_100000766300_100009817130 [0,2,0,0,0,0|1,1,0]=4 5396 B16R2.1285 COCSc1ccc2ncc(cc2c1)Br 62a_100000766300_200010254249 [0,2,0,0,0,0|1,1,0]=4 5397 B16R2.1285 COCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000766300 [0,2,0,0,0,0|1,1,0]=4 5398 B16R2.1285 COCSc1ccc2ncc(cc2c1)C 62a_100000766300_100009817055 [0,2,0,0,0,0|1,1,0]=4 5399 B16R2.1285 COCSc1ccc2ncc(cc2c1)O 62a_100000766300_100000703654 [0,2,0,0,0,0|1,1,0]=4 5400 B16R2.1285 COCSc1cnc2ccc(cc2c1)Br 62a_100000766300_100010740133 [0,2,0,0,0,0|1,1,0]=4 5401 B16R2.1285 COCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000766300 [0,2,0,0,0,0|1,1,0]=4 5402 B16R2.1285 COCSc1cnc2ccc(cc2c1)C 62a_100000766300_100015841224 [0,2,0,0,0,0|1,1,0]=4 5403 B16R2.1285 COCSc1cnc2ccc(cc2c1)Cl 62a_100000766300_100015929906 [0,2,0,0,0,0|1,1,0]=4 5404 B16R2.1285 COCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000766300 [0,2,0,0,0,0|1,1,0]=4 5405 B16R2.1285 COCSc1cnc2ccc(cc2c1)N 62a_100000766300_100009888932 [0,2,0,0,0,0|1,1,0]=4 5406 B16R2.1285 COCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000766300 [0,2,0,0,0,0|1,1,0]=4 5407 B16R2.1285 COCSc1cnc2ccc(cc2c1)O 62a_100000766300_100010137430 [0,2,0,0,0,0|1,1,0]=4 5408 B16R2.1285 CSCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011218213 [0,2,0,0,0,0|1,0,0]=3 5409 B16R2.1285 CSCNc1ccc2ccc(cc2c1)O 34a_100015378740_100011218213 [0,2,0,0,0,0|1,0,0]=3 5410 B16R2.1285 CSCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011218213 [0,2,0,0,0,0|2,0,0]=4 5411 B16R2.1285 CSCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011218213 [0,2,0,0,0,0|1,0,0]=3 5412 B16R2.1285 CSCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100011218213 [0,2,0,0,0,0|1,0,0]=3 5413 B16R2.1285 CSCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218213 [0,2,0,0,0,0|0,0,0]=2 5414 B16R2.1285 CSCOc1ccc2ccc(cc2c1)C 34a_100000091598_100011218213 [0,2,0,0,0,0|0,0,0]=2 5415 B16R2.1285 CSCOc1ccc2ccc(cc2c1)N 34a_100015378740_100011218213 [0,2,0,0,0,0|0,0,0]=2 5416 B16R2.1285 CSCOc1ccc2ccc(nc2c1)C 34a_100009867695_100011218213 [0,2,0,0,0,0|1,0,0]=3 5417 B16R2.1285 CSCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011218213 [0,2,0,0,0,0|1,0,0]=3 5418 B16R2.1285 CSCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011218213 [0,2,0,0,0,0|1,0,0]=3 5419 B16R2.1285 CSCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011218213 [0,2,0,0,0,0|1,0,0]=3 5420 B16R2.1285 CSCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011218213 [0,2,0,0,0,0|1,0,0]=3 5421 B16R2.1285 CSCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011218213 [0,2,0,0,0,0|2,0,0]=4 5422 B16R2.1285 CSCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011218213 [0,2,0,0,0,0|1,0,0]=3 5423 B16R2.1285 CSCSc1cc2cc(ccc2cn1)F 62a_100009828686_100011218213 [0,2,0,0,0,0|1,1,0]=4 5424 B16R2.1285 CSCSc1cc2cc(ccc2cn1)F 62a_100011218213_100009828686 [0,2,0,0,0,0|1,1,0]=4 5425 B16R2.1285 CSCSc1ccc2cc[n+](cc2c1)[O-] 62a_100011218213_100009816120 [0,2,0,0,0,0|1,1,0]=4 5426 B16R2.1285 CSCSc1ccc2ccc(=O)oc2c1 62a_100011218213_100009993525 [0,2,0,0,0,0|1,1,0]=4 5427 B16R2.1285 CSCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011218213 [0,2,0,0,0,0|0,1,0]=3 5428 B16R2.1285 CSCSc1ccc2ccc(cc2c1)N 62a_100011218213_100010090036 [0,2,0,0,0,0|0,1,0]=3 5429 B16R2.1285 CSCSc1ccc2ccc(cc2c1)O 62a_100011218213_100009816537 [0,2,0,0,0,0|0,1,0]=3 5430 B16R2.1285 CSCSc1ccc2ccc(cc2n1)O 62a_100011218213_100000079174 [0,2,0,0,0,0|1,1,0]=4 5431 B16R2.1285 CSCSc1ccc2ccc(nc2c1)C 62a_100009817087_100011218213 [0,2,0,0,0,0|1,1,0]=4 5432 B16R2.1285 CSCSc1ccc2ccc(nc2c1)C 62a_100011218213_100009817087 [0,2,0,0,0,0|1,1,0]=4 5433 B16R2.1285 CSCSc1ccc2ccc(nc2c1)N 62a_100010187616_100011218213 [0,2,0,0,0,0|1,1,0]=4 5434 B16R2.1285 CSCSc1ccc2ccc(nc2c1)O 62a_100011218213_100000690401 [0,2,0,0,0,0|1,1,0]=4 5435 B16R2.1285 CSCSc1ccc2cnc(cc2c1)F 62a_100010291885_100011218213 [0,2,0,0,0,0|1,1,0]=4 5436 B16R2.1285 CSCSc1ccc2cnc(cc2c1)F 62a_100011218213_100010291885 [0,2,0,0,0,0|1,1,0]=4 5437 B16R2.1285 CSCSc1ccc2cnc(cc2c1)N 62a_100009817123_100011218213 [0,2,0,0,0,0|1,1,0]=4 5438 B16R2.1285 CSCSc1ccc2cnc(cc2c1)N 62a_100011218213_100009817123 [0,2,0,0,0,0|1,1,0]=4 5439 B16R2.1285 CSCSc1ccc2cnc(cc2c1)O 62a_100011218213_100009817130 [0,2,0,0,0,0|1,1,0]=4 5440 B16R2.1285 CSCSc1ccc2ncc(cc2c1)Br 62a_100011218213_200010254249 [0,2,0,0,0,0|1,1,0]=4 5441 B16R2.1285 CSCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011218213 [0,2,0,0,0,0|1,1,0]=4 5442 B16R2.1285 CSCSc1ccc2ncc(cc2c1)C 62a_100011218213_100009817055 [0,2,0,0,0,0|1,1,0]=4 5443 B16R2.1285 CSCSc1ccc2ncc(cc2c1)O 62a_100011218213_100000703654 [0,2,0,0,0,0|1,1,0]=4 5444 B16R2.1285 CSCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011218213 [0,2,0,0,0,0|1,1,0]=4 5445 B16R2.1285 CSCSc1cnc2ccc(cc2c1)Br 62a_100011218213_100010740133 [0,2,0,0,0,0|1,1,0]=4 5446 B16R2.1285 CSCSc1cnc2ccc(cc2c1)C 62a_100011218213_100015841224 [0,2,0,0,0,0|1,1,0]=4 5447 B16R2.1285 CSCSc1cnc2ccc(cc2c1)Cl 62a_100011218213_100015929906 [0,2,0,0,0,0|1,1,0]=4 5448 B16R2.1285 CSCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011218213 [0,2,0,0,0,0|1,1,0]=4 5449 B16R2.1285 CSCSc1cnc2ccc(cc2c1)N 62a_100009888932_100011218213 [0,2,0,0,0,0|1,1,0]=4 5450 B16R2.1285 CSCSc1cnc2ccc(cc2c1)N 62a_100011218213_100009888932 [0,2,0,0,0,0|1,1,0]=4 5451 B16R2.1285 CSCSc1cnc2ccc(cc2c1)O 62a_100011218213_100010137430 [0,2,0,0,0,0|1,1,0]=4 5452 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC#N 7a_100000091598_100011215382 [0,2,0,0,0,0|0,0,1]=3 5453 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 34a_100000091598_200009817547 [0,2,0,0,0,0|0,0,1]=3 5454 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 7a_100000091598_200015260668 [0,2,0,0,0,0|0,0,1]=3 5455 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCF 34a_100000091598_100011217306 [0,2,0,0,0,0|0,0,0]=2 5456 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCF 7a_100000091598_100011217306 [0,2,0,0,0,0|0,0,0]=2 5457 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 34a_100000091598_100000211926 [0,2,0,0,0,0|0,0,0]=2 5458 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 7a_100000091598_100000211926 [0,2,0,0,0,0|0,0,0]=2 5459 B16R2.1285 Cc1ccc2ccc(cc2n1)OCC#N 7a_100009867695_100011215382 [0,2,0,0,0,0|1,0,1]=4 5460 B16R2.1285 Cc1ccc2ccc(cc2n1)OCC=O 34a_100009867695_200009817547 [0,2,0,0,0,0|1,0,1]=4 5461 B16R2.1285 Cc1ccc2ccc(cc2n1)OCC=O 7a_100009867695_200015260668 [0,2,0,0,0,0|1,0,1]=4 5462 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCF 34a_100009867695_100011217306 [0,2,0,0,0,0|1,0,0]=3 5463 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCF 7a_100009867695_100011217306 [0,2,0,0,0,0|1,0,0]=3 5464 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCO 34a_100009867695_100000211926 [0,2,0,0,0,0|1,0,0]=3 5465 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCO 7a_100009867695_100000211926 [0,2,0,0,0,0|1,0,0]=3 5466 B16R2.1285 Cc1ccc2ccc(cc2n1)SCCF 62a_100009817087_100011217306 [0,2,0,0,0,0|1,1,0]=4 5467 B16R2.1285 Cc1ccc2ccc(cc2n1)SCCF 62a_100011217306_100009817087 [0,2,0,0,0,0|1,1,0]=4 5468 B16R2.1285 Cc1ccc2ccc(cc2n1)SCCO 62a_100000211926_100009817087 [0,2,0,0,0,0|1,1,0]=4 5469 B16R2.1285 Cc1ccc2ccc(cc2n1)SCCO 62a_100009817087_100000211926 [0,2,0,0,0,0|1,1,0]=4 5470 B16R2.1285 Cc1ccc2ncc(cc2c1)SCCF 62a_100011217306_100015841224 [0,2,0,0,0,0|1,1,0]=4 5471 B16R2.1285 Cc1ccc2ncc(cc2c1)SCCO 62a_100000211926_100015841224 [0,2,0,0,0,0|1,1,0]=4 5472 B16R2.1285 Cc1cnc2ccc(cc2c1)SCCF 62a_100011217306_100009817055 [0,2,0,0,0,0|1,1,0]=4 5473 B16R2.1285 Cc1cnc2ccc(cc2c1)SCCO 62a_100000211926_100009817055 [0,2,0,0,0,0|1,1,0]=4 5474 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011217306 [0,2,0,0,0,0|1,0,0]=3 5475 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011217306 [0,2,0,0,0,0|1,0,0]=3 5476 B16R2.1285 FCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011217306 [0,2,0,0,0,0|2,0,0]=4 5477 B16R2.1285 FCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011217306 [0,2,0,0,0,0|1,0,0]=3 5478 B16R2.1285 FCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011217306 [0,2,0,0,0,0|0,0,0]=2 5479 B16R2.1285 FCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011217306 [0,2,0,0,0,0|0,0,0]=2 5480 B16R2.1285 FCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011217306 [0,2,0,0,0,0|1,0,0]=3 5481 B16R2.1285 FCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011217306 [0,2,0,0,0,0|1,0,0]=3 5482 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011217306 [0,2,0,0,0,0|1,0,0]=3 5483 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011217306 [0,2,0,0,0,0|1,0,0]=3 5484 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011217306 [0,2,0,0,0,0|1,0,0]=3 5485 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011217306 [0,2,0,0,0,0|1,0,0]=3 5486 B16R2.1285 FCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011217306 [0,2,0,0,0,0|1,0,0]=3 5487 B16R2.1285 FCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011217306 [0,2,0,0,0,0|1,0,0]=3 5488 B16R2.1285 FCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011217306 [0,2,0,0,0,0|2,0,0]=4 5489 B16R2.1285 FCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011217306 [0,2,0,0,0,0|1,0,0]=3 5490 B16R2.1285 FCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011217306 [0,2,0,0,0,0|1,0,0]=3 5491 B16R2.1285 FCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100011217306 [0,2,0,0,0,0|1,1,0]=4 5492 B16R2.1285 FCCSc1cc2cc(ccc2cn1)F 62a_100011217306_100009828686 [0,2,0,0,0,0|1,1,0]=4 5493 B16R2.1285 FCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100011217306 [0,2,0,0,0,0|1,1,0]=4 5494 B16R2.1285 FCCSc1ccc2cnc(cc2c1)F 62a_100011217306_100010291885 [0,2,0,0,0,0|1,1,0]=4 5495 B16R2.1285 FCCSc1ccc2ncc(cc2c1)Br 62a_100011217306_200010254249 [0,2,0,0,0,0|1,1,0]=4 5496 B16R2.1285 FCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011217306 [0,2,0,0,0,0|1,1,0]=4 5497 B16R2.1285 FCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011217306 [0,2,0,0,0,0|1,1,0]=4 5498 B16R2.1285 FCCSc1cnc2ccc(cc2c1)Br 62a_100011217306_100010740133 [0,2,0,0,0,0|1,1,0]=4 5499 B16R2.1285 FCCSc1cnc2ccc(cc2c1)Cl 62a_100011217306_100015929906 [0,2,0,0,0,0|1,1,0]=4 5500 B16R2.1285 FCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011217306 [0,2,0,0,0,0|1,1,0]=4 5501 B16R2.1285 N#CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011215382 [0,2,0,0,0,0|1,0,1]=4 5502 B16R2.1285 N#CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100011215382 [0,2,0,0,0,0|1,0,1]=4 5503 B16R2.1285 N#CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100011215382 [0,2,0,0,0,0|1,0,1]=4 5504 B16R2.1285 N#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215382 [0,2,0,0,0,0|0,0,1]=3 5505 B16R2.1285 N#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100011215382 [0,2,0,0,0,0|0,0,1]=3 5506 B16R2.1285 N#CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011215382 [0,2,0,0,0,0|1,0,1]=4 5507 B16R2.1285 N#CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011215382 [0,2,0,0,0,0|1,0,1]=4 5508 B16R2.1285 N#CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011215382 [0,2,0,0,0,0|1,0,1]=4 5509 B16R2.1285 N#CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011215382 [0,2,0,0,0,0|1,0,1]=4 5510 B16R2.1285 N#CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011215382 [0,2,0,0,0,0|1,0,1]=4 5511 B16R2.1285 N#CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011215382 [0,2,0,0,0,0|0,1,1]=4 5512 B16R2.1285 N#CCSc1ccc2ccc(cc2c1)N 62a_100011215382_100010090036 [0,2,0,0,0,0|0,1,1]=4 5513 B16R2.1285 N#CCSc1ccc2ccc(cc2c1)O 62a_100011215382_100009816537 [0,2,0,0,0,0|0,1,1]=4 5514 B16R2.1285 Nc1cc2cc(ccc2cn1)SCCF 62a_100009817123_100011217306 [0,2,0,0,0,0|1,1,0]=4 5515 B16R2.1285 Nc1cc2cc(ccc2cn1)SCCF 62a_100011217306_100009817123 [0,2,0,0,0,0|1,1,0]=4 5516 B16R2.1285 Nc1cc2cc(ccc2cn1)SCCO 62a_100000211926_100009817123 [0,2,0,0,0,0|1,1,0]=4 5517 B16R2.1285 Nc1cc2cc(ccc2cn1)SCCO 62a_100009817123_100000211926 [0,2,0,0,0,0|1,1,0]=4 5518 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 34a_100015378740_200009817547 [0,2,0,0,0,0|0,0,1]=3 5519 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 7a_100015378740_200015260668 [0,2,0,0,0,0|0,0,1]=3 5520 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCF 34a_100015378740_100011217306 [0,2,0,0,0,0|0,0,0]=2 5521 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCF 7a_100015378740_100011217306 [0,2,0,0,0,0|0,0,0]=2 5522 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 34a_100015378740_100000211926 [0,2,0,0,0,0|0,0,0]=2 5523 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 7a_100015378740_100000211926 [0,2,0,0,0,0|0,0,0]=2 5524 B16R2.1285 Nc1ccc2ccc(cc2c1)SCC=O 62a_100010090036_200015260668 [0,2,0,0,0,0|0,1,1]=4 5525 B16R2.1285 Nc1ccc2ccc(cc2c1)SCC=O 62a_200015260668_100010090036 [0,2,0,0,0,0|0,1,1]=4 5526 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCF 62a_100010090036_100011217306 [0,2,0,0,0,0|0,1,0]=3 5527 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCF 62a_100011217306_100010090036 [0,2,0,0,0,0|0,1,0]=3 5528 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100000211926_100010090036 [0,2,0,0,0,0|0,1,0]=3 5529 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100010090036_100000211926 [0,2,0,0,0,0|0,1,0]=3 5530 B16R2.1285 Nc1ccc2ccc(cc2n1)SCCF 62a_100010187616_100011217306 [0,2,0,0,0,0|1,1,0]=4 5531 B16R2.1285 Nc1ccc2ccc(cc2n1)SCCO 62a_100010187616_100000211926 [0,2,0,0,0,0|1,1,0]=4 5532 B16R2.1285 Nc1ccc2ncc(cc2c1)SCCF 62a_100009888932_100011217306 [0,2,0,0,0,0|1,1,0]=4 5533 B16R2.1285 Nc1ccc2ncc(cc2c1)SCCF 62a_100011217306_100009888932 [0,2,0,0,0,0|1,1,0]=4 5534 B16R2.1285 Nc1ccc2ncc(cc2c1)SCCO 62a_100000211926_100009888932 [0,2,0,0,0,0|1,1,0]=4 5535 B16R2.1285 Nc1ccc2ncc(cc2c1)SCCO 62a_100009888932_100000211926 [0,2,0,0,0,0|1,1,0]=4 5536 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_200009817547 [0,2,0,0,0,0|1,0,1]=4 5537 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_200015260668 [0,2,0,0,0,0|1,0,1]=4 5538 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)O 34a_100015378740_200009817547 [0,2,0,0,0,0|1,0,1]=4 5539 B16R2.1285 O=CCNc1ccc2ccc(cc2c1)O 7a_100015378740_200015260668 [0,2,0,0,0,0|1,0,1]=4 5540 B16R2.1285 O=CCOc1cc2cc(ccc2cn1)F 34a_200000101709_200009817547 [0,2,0,0,0,0|1,0,1]=4 5541 B16R2.1285 O=CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_200009817547 [0,2,0,0,0,0|1,0,1]=4 5542 B16R2.1285 O=CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_200015260668 [0,2,0,0,0,0|1,0,1]=4 5543 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_200009817547 [0,2,0,0,0,0|0,0,1]=3 5544 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200015260668 [0,2,0,0,0,0|0,0,1]=3 5545 B16R2.1285 O=CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_200009817547 [0,2,0,0,0,0|1,0,1]=4 5546 B16R2.1285 O=CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_200015260668 [0,2,0,0,0,0|1,0,1]=4 5547 B16R2.1285 O=CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_200009817547 [0,2,0,0,0,0|1,0,1]=4 5548 B16R2.1285 O=CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_200015260668 [0,2,0,0,0,0|1,0,1]=4 5549 B16R2.1285 O=CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_200009817547 [0,2,0,0,0,0|1,0,1]=4 5550 B16R2.1285 O=CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_200015260668 [0,2,0,0,0,0|1,0,1]=4 5551 B16R2.1285 O=CCOc1ccc2ncc(cc2c1)F 34a_100009845357_200009817547 [0,2,0,0,0,0|1,0,1]=4 5552 B16R2.1285 O=CCOc1ccc2ncc(cc2c1)F 7a_100009845357_200015260668 [0,2,0,0,0,0|1,0,1]=4 5553 B16R2.1285 O=CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_200009817547 [0,2,0,0,0,0|1,0,1]=4 5554 B16R2.1285 O=CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_200015260668 [0,2,0,0,0,0|1,0,1]=4 5555 B16R2.1285 O=CCSc1ccc2ccc(cc2c1)O 62a_200015260668_100009816537 [0,2,0,0,0,0|0,1,1]=4 5556 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCF 34a_100000185914_100011217306 [0,2,0,0,0,0|1,0,0]=3 5557 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCF 7a_100000185914_100011217306 [0,2,0,0,0,0|1,0,0]=3 5558 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCO 34a_100000185914_100000211926 [0,2,0,0,0,0|1,0,0]=3 5559 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCO 7a_100000185914_100000211926 [0,2,0,0,0,0|1,0,0]=3 5560 B16R2.1285 O=c1ccc2ccc(cc2o1)SCCF 62a_100011217306_100009993525 [0,2,0,0,0,0|1,1,0]=4 5561 B16R2.1285 O=c1ccc2ccc(cc2o1)SCCO 62a_100000211926_100009993525 [0,2,0,0,0,0|1,1,0]=4 5562 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000211926 [0,2,0,0,0,0|1,0,0]=3 5563 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000211926 [0,2,0,0,0,0|1,0,0]=3 5564 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000211926 [0,2,0,0,0,0|1,0,0]=3 5565 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000211926 [0,2,0,0,0,0|1,0,0]=3 5566 B16R2.1285 OCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000211926 [0,2,0,0,0,0|2,0,0]=4 5567 B16R2.1285 OCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000211926 [0,2,0,0,0,0|1,0,0]=3 5568 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000211926 [0,2,0,0,0,0|0,0,0]=2 5569 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000211926 [0,2,0,0,0,0|0,0,0]=2 5570 B16R2.1285 OCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000211926 [0,2,0,0,0,0|1,0,0]=3 5571 B16R2.1285 OCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000211926 [0,2,0,0,0,0|1,0,0]=3 5572 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000211926 [0,2,0,0,0,0|1,0,0]=3 5573 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000211926 [0,2,0,0,0,0|1,0,0]=3 5574 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000211926 [0,2,0,0,0,0|1,0,0]=3 5575 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000211926 [0,2,0,0,0,0|1,0,0]=3 5576 B16R2.1285 OCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000211926 [0,2,0,0,0,0|1,0,0]=3 5577 B16R2.1285 OCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000211926 [0,2,0,0,0,0|1,0,0]=3 5578 B16R2.1285 OCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000211926 [0,2,0,0,0,0|2,0,0]=4 5579 B16R2.1285 OCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000211926 [0,2,0,0,0,0|1,0,0]=3 5580 B16R2.1285 OCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000211926 [0,2,0,0,0,0|1,0,0]=3 5581 B16R2.1285 OCCSc1cc2cc(ccc2cn1)F 62a_100000211926_100009828686 [0,2,0,0,0,0|1,1,0]=4 5582 B16R2.1285 OCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000211926 [0,2,0,0,0,0|1,1,0]=4 5583 B16R2.1285 OCCSc1ccc2ccc(cc2c1)O 62a_100000211926_100009816537 [0,2,0,0,0,0|0,1,0]=3 5584 B16R2.1285 OCCSc1ccc2ccc(cc2n1)O 62a_100000211926_100000079174 [0,2,0,0,0,0|1,1,0]=4 5585 B16R2.1285 OCCSc1ccc2ccc(nc2c1)O 62a_100000211926_100000690401 [0,2,0,0,0,0|1,1,0]=4 5586 B16R2.1285 OCCSc1ccc2cnc(cc2c1)F 62a_100000211926_100010291885 [0,2,0,0,0,0|1,1,0]=4 5587 B16R2.1285 OCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000211926 [0,2,0,0,0,0|1,1,0]=4 5588 B16R2.1285 OCCSc1ccc2cnc(cc2c1)O 62a_100000211926_100009817130 [0,2,0,0,0,0|1,1,0]=4 5589 B16R2.1285 OCCSc1ccc2ncc(cc2c1)Br 62a_100000211926_200010254249 [0,2,0,0,0,0|1,1,0]=4 5590 B16R2.1285 OCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000211926 [0,2,0,0,0,0|1,1,0]=4 5591 B16R2.1285 OCCSc1ccc2ncc(cc2c1)O 62a_100000211926_100000703654 [0,2,0,0,0,0|1,1,0]=4 5592 B16R2.1285 OCCSc1cnc2ccc(cc2c1)Br 62a_100000211926_100010740133 [0,2,0,0,0,0|1,1,0]=4 5593 B16R2.1285 OCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000211926 [0,2,0,0,0,0|1,1,0]=4 5594 B16R2.1285 OCCSc1cnc2ccc(cc2c1)Cl 62a_100000211926_100015929906 [0,2,0,0,0,0|1,1,0]=4 5595 B16R2.1285 OCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000211926 [0,2,0,0,0,0|1,1,0]=4 5596 B16R2.1285 OCCSc1cnc2ccc(cc2c1)O 62a_100000211926_100010137430 [0,2,0,0,0,0|1,1,0]=4 5597 B16R2.1285 Oc1cc2cc(ccc2cn1)SCCF 62a_100011217306_100009817130 [0,2,0,0,0,0|1,1,0]=4 5598 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 34a_100015378740_100011217306 [0,2,0,0,0,0|1,0,0]=3 5599 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 7a_100015378740_100011217306 [0,2,0,0,0,0|1,0,0]=3 5600 B16R2.1285 Oc1ccc2ccc(cc2c1)SCCF 62a_100011217306_100009816537 [0,2,0,0,0,0|0,1,0]=3 5601 B16R2.1285 Oc1ccc2ccc(cc2n1)SCCF 62a_100011217306_100000690401 [0,2,0,0,0,0|1,1,0]=4 5602 B16R2.1285 Oc1ccc2ccc(nc2c1)SCCF 62a_100011217306_100000079174 [0,2,0,0,0,0|1,1,0]=4 5603 B16R2.1285 Oc1ccc2ncc(cc2c1)SCCF 62a_100011217306_100010137430 [0,2,0,0,0,0|1,1,0]=4 5604 B16R2.1285 Oc1cnc2ccc(cc2c1)SCCF 62a_100011217306_100000703654 [0,2,0,0,0,0|1,1,0]=4 5605 B16R2.1285 [O-][n+]1ccc2ccc(cc2c1)SCCF 62a_100011217306_100009816120 [0,2,0,0,0,0|1,1,0]=4 5606 B16R2.1285 [O-][n+]1ccc2ccc(cc2c1)SCCO 62a_100000211926_100009816120 [0,2,0,0,0,0|1,1,0]=4 5607 B16R2.1293 C#CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000184674 [0,2,0,0,0,0|1,0,1]=4 5608 B16R2.1293 C#CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000184674 [0,2,0,0,0,0|0,0,1]=3 5609 B16R2.1293 C#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000038162 [0,2,0,0,0,0|0,0,1]=3 5610 B16R2.1293 C#CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000184674 [0,2,0,0,0,0|0,0,1]=3 5611 B16R2.1293 C#CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000038162 [0,2,0,0,0,0|0,0,1]=3 5612 B16R2.1293 C#CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000184674 [0,2,0,0,0,0|0,0,1]=3 5613 B16R2.1293 C#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000038162 [0,2,0,0,0,0|0,0,1]=3 5614 B16R2.1293 C#CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000184674 [0,2,0,0,0,0|0,0,1]=3 5615 B16R2.1293 C#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000038162 [0,2,0,0,0,0|0,0,1]=3 5616 B16R2.1293 C#CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000184674 [0,2,0,0,0,0|1,0,1]=4 5617 B16R2.1293 C#CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000038162 [0,2,0,0,0,0|1,0,1]=4 5618 B16R2.1293 C#CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000184674 [0,2,0,0,0,0|1,0,1]=4 5619 B16R2.1293 C#CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000038162 [0,2,0,0,0,0|1,0,1]=4 5620 B16R2.1293 C#CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000184674 [0,2,0,0,0,0|1,0,1]=4 5621 B16R2.1293 C#CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000038162 [0,2,0,0,0,0|1,0,1]=4 5622 B16R2.1293 C#CCSc1ccc2cccc(c2c1)C 62a_100000038162_100010089936 [0,2,0,0,0,0|0,1,1]=4 5623 B16R2.1293 C#CCSc1ccc2cccc(c2c1)N 62a_100000038162_100010090012 [0,2,0,0,0,0|0,1,1]=4 5624 B16R2.1293 C#CCSc1ccc2cccc(c2c1)O 62a_100000038162_100010089991 [0,2,0,0,0,0|0,1,1]=4 5625 B16R2.1293 C=CCNc1ccc2cccc(c2c1)O 34a_100132313934_100015514636 [0,2,0,0,0,0|1,0,1]=4 5626 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015514636 [0,2,0,0,0,0|0,0,1]=3 5627 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015514636 [0,2,0,0,0,0|0,0,1]=3 5628 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 34a_200000091600_100015514636 [0,2,0,0,0,0|0,0,1]=3 5629 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 7a_200000091600_100015514636 [0,2,0,0,0,0|0,0,1]=3 5630 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 34a_100000091619_100015514636 [0,2,0,0,0,0|0,0,1]=3 5631 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 7a_100000091619_100015514636 [0,2,0,0,0,0|0,0,1]=3 5632 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 34a_100000034012_100015514636 [0,2,0,0,0,0|0,0,1]=3 5633 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 7a_100000034012_100015514636 [0,2,0,0,0,0|0,0,1]=3 5634 B16R2.1293 C=CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100015514636 [0,2,0,0,0,0|1,0,1]=4 5635 B16R2.1293 C=CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100015514636 [0,2,0,0,0,0|1,0,1]=4 5636 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100015514636 [0,2,0,0,0,0|1,0,1]=4 5637 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100015514636 [0,2,0,0,0,0|1,0,1]=4 5638 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100015514636 [0,2,0,0,0,0|1,0,1]=4 5639 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100015514636 [0,2,0,0,0,0|1,0,1]=4 5640 B16R2.1293 C=CCSc1ccc2cccc(c2c1)C 62a_100000210623_100010089936 [0,2,0,0,0,0|0,1,1]=4 5641 B16R2.1293 C=CCSc1ccc2cccc(c2c1)N 62a_100000210623_100010090012 [0,2,0,0,0,0|0,1,1]=4 5642 B16R2.1293 C=CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210623 [0,2,0,0,0,0|0,1,1]=4 5643 B16R2.1293 C=CCSc1ccc2cccc(c2c1)O 62a_100000210623_100010089991 [0,2,0,0,0,0|0,1,1]=4 5644 B16R2.1293 CCCCc1ccc2[nH]ccc(=O)c2c1 271570a_100020621405_100000746092 [0,2,0,0,0,0|2,0,0]=4 5645 B16R2.1293 CCCCc1ccc2cccc(c2c1)C 271570a_100020621405_100010089936 [0,2,0,0,0,0|1,0,0]=3 5646 B16R2.1293 CCCCc1ccc2cccc(c2c1)N 271570a_100020621405_100010090012 [0,2,0,0,0,0|1,0,0]=3 5647 B16R2.1293 CCCCc1ccc2cccc(c2c1)O 271570a_100020621405_100010089991 [0,2,0,0,0,0|1,0,0]=3 5648 B16R2.1293 CCCCc1ccc2cccc(c2n1)C 271570a_100020621405_100012002297 [0,2,0,0,0,0|2,0,0]=4 5649 B16R2.1293 CCCCc1ccc2cccc(c2n1)F 271570a_100020621405_100012017632 [0,2,0,0,0,0|2,0,0]=4 5650 B16R2.1293 CCCCc1ccc2cccc(c2n1)O 271570a_100020621405_100010153751 [0,2,0,0,0,0|2,0,0]=4 5651 B16R2.1293 CCCCc1ccc2ccnc(c2c1)C 271570a_100020621405_200010739692 [0,2,0,0,0,0|2,0,0]=4 5652 B16R2.1293 CCCCc1ccc2ccnc(c2c1)N 271570a_100020621405_100012352255 [0,2,0,0,0,0|2,0,0]=4 5653 B16R2.1293 CCCCc1ccc2ccnc(c2c1)O 271570a_100020621405_100000010956 [0,2,0,0,0,0|2,0,0]=4 5654 B16R2.1293 CCCCc1ccc2cncc(c2c1)O 271570a_100020621405_100010136424 [0,2,0,0,0,0|2,0,0]=4 5655 B16R2.1293 CCCCc1ccc2nccc(c2c1)C 271570a_100020621405_100009817033 [0,2,0,0,0,0|2,0,0]=4 5656 B16R2.1293 CCCCc1ccc2nccc(c2c1)Cl 271570a_100020621405_100011310491 [0,2,0,0,0,0|2,0,0]=4 5657 B16R2.1293 CCCCc1ccc2nccc(c2c1)N 271570a_100020621405_100011620571 [0,2,0,0,0,0|2,0,0]=4 5658 B16R2.1293 CCCCc1ccc2occc(=O)c2c1 271570a_100020621405_100009813387 [0,2,0,0,0,0|2,0,0]=4 5659 B16R2.1293 CCCCc1cnc2cccc(c2c1)N 271570a_100020621405_100010264086 [0,2,0,0,0,0|2,0,0]=4 5660 B16R2.1293 CCCCc1cnc2cccc(c2c1)O 271570a_100020621405_200010153752 [0,2,0,0,0,0|2,0,0]=4 5661 B16R2.1293 CCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210303 [0,2,0,0,0,0|1,0,0]=3 5662 B16R2.1293 CCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210303 [0,2,0,0,0,0|2,0,0]=4 5663 B16R2.1293 CCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210303 [0,2,0,0,0,0|2,0,0]=4 5664 B16R2.1293 CCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210303 [0,2,0,0,0,0|2,0,0]=4 5665 B16R2.1293 CCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210303 [0,2,0,0,0,0|0,0,0]=2 5666 B16R2.1293 CCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210303 [0,2,0,0,0,0|0,0,0]=2 5667 B16R2.1293 CCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210303 [0,2,0,0,0,0|0,0,0]=2 5668 B16R2.1293 CCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210303 [0,2,0,0,0,0|0,0,0]=2 5669 B16R2.1293 CCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210303 [0,2,0,0,0,0|0,0,0]=2 5670 B16R2.1293 CCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210303 [0,2,0,0,0,0|0,0,0]=2 5671 B16R2.1293 CCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210303 [0,2,0,0,0,0|0,0,0]=2 5672 B16R2.1293 CCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210303 [0,2,0,0,0,0|0,0,0]=2 5673 B16R2.1293 CCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210303 [0,2,0,0,0,0|1,0,0]=3 5674 B16R2.1293 CCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210303 [0,2,0,0,0,0|1,0,0]=3 5675 B16R2.1293 CCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210303 [0,2,0,0,0,0|2,0,0]=4 5676 B16R2.1293 CCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210303 [0,2,0,0,0,0|1,0,0]=3 5677 B16R2.1293 CCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210303 [0,2,0,0,0,0|1,0,0]=3 5678 B16R2.1293 CCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210303 [0,2,0,0,0,0|1,0,0]=3 5679 B16R2.1293 CCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210303 [0,2,0,0,0,0|1,0,0]=3 5680 B16R2.1293 CCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210303_100000746092 [0,2,0,0,0,0|1,1,0]=4 5681 B16R2.1293 CCCSc1ccc2cccc(c2c1)C 62a_100000210303_100010089936 [0,2,0,0,0,0|0,1,0]=3 5682 B16R2.1293 CCCSc1ccc2cccc(c2c1)N 62a_100000210303_100010090012 [0,2,0,0,0,0|0,1,0]=3 5683 B16R2.1293 CCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210303 [0,2,0,0,0,0|0,1,0]=3 5684 B16R2.1293 CCCSc1ccc2cccc(c2c1)O 62a_100000210303_100010089991 [0,2,0,0,0,0|0,1,0]=3 5685 B16R2.1293 CCCSc1ccc2cccc(c2n1)C 62a_100000210303_100012002297 [0,2,0,0,0,0|1,1,0]=4 5686 B16R2.1293 CCCSc1ccc2cccc(c2n1)F 62a_100000210303_100012017632 [0,2,0,0,0,0|1,1,0]=4 5687 B16R2.1293 CCCSc1ccc2cccc(c2n1)O 62a_100000210303_100000013812 [0,2,0,0,0,0|1,1,0]=4 5688 B16R2.1293 CCCSc1ccc2ccnc(c2c1)C 62a_100000210303_200010739692 [0,2,0,0,0,0|1,1,0]=4 5689 B16R2.1293 CCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000210303 [0,2,0,0,0,0|1,1,0]=4 5690 B16R2.1293 CCCSc1ccc2ccnc(c2c1)N 62a_100000210303_100012352255 [0,2,0,0,0,0|1,1,0]=4 5691 B16R2.1293 CCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210303 [0,2,0,0,0,0|1,1,0]=4 5692 B16R2.1293 CCCSc1ccc2ccnc(c2c1)O 62a_100000210303_100000010956 [0,2,0,0,0,0|1,1,0]=4 5693 B16R2.1293 CCCSc1ccc2cncc(c2c1)O 62a_100000210303_100010136424 [0,2,0,0,0,0|1,1,0]=4 5694 B16R2.1293 CCCSc1ccc2nccc(c2c1)C 62a_100000210303_100009817033 [0,2,0,0,0,0|1,1,0]=4 5695 B16R2.1293 CCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210303 [0,2,0,0,0,0|1,1,0]=4 5696 B16R2.1293 CCCSc1ccc2nccc(c2c1)Cl 62a_100000210303_100011310491 [0,2,0,0,0,0|1,1,0]=4 5697 B16R2.1293 CCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210303 [0,2,0,0,0,0|1,1,0]=4 5698 B16R2.1293 CCCSc1ccc2nccc(c2c1)N 62a_100000210303_100011620571 [0,2,0,0,0,0|1,1,0]=4 5699 B16R2.1293 CCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210303 [0,2,0,0,0,0|1,1,0]=4 5700 B16R2.1293 CCCSc1ccc2occc(=O)c2c1 62a_100000210303_100009813387 [0,2,0,0,0,0|1,1,0]=4 5701 B16R2.1293 CCCSc1cnc2cccc(c2c1)N 62a_100000210303_100010264086 [0,2,0,0,0,0|1,1,0]=4 5702 B16R2.1293 CCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210303 [0,2,0,0,0,0|1,1,0]=4 5703 B16R2.1293 CCCSc1cnc2cccc(c2c1)O 62a_100000210303_200010153752 [0,2,0,0,0,0|1,1,0]=4 5704 B16R2.1293 CCNCc1ccc2cccc(c2n1)Cl 207a_100015525214_200000068262 [0,2,0,0,0,0|2,0,0]=4 5705 B16R2.1293 CCNCc1ccc2cccc(c2n1)Cl 270004a_100015525214_200000068262 [0,2,0,0,0,0|2,0,0]=4 5706 B16R2.1293 CCNCc1ccc2cccc(c2n1)F 207a_100015525214_100000068176 [0,2,0,0,0,0|2,0,0]=4 5707 B16R2.1293 CCNCc1ccc2cccc(c2n1)F 270004a_100015525214_100000068176 [0,2,0,0,0,0|2,0,0]=4 5708 B16R2.1293 CCNCc1ccc2ccnc(c2c1)Cl 207a_100015525214_100000094387 [0,2,0,0,0,0|2,0,0]=4 5709 B16R2.1293 CCOCc1ccc2ncnc(c2c1)Cl 34a_100121572206_200010205392 [0,2,0,0,0,0|2,0,0]=4 5710 B16R2.1293 COCSc1ccc2[nH]ccc(=O)c2c1 62a_100000766300_100000746092 [0,2,0,0,0,0|1,1,0]=4 5711 B16R2.1293 COCSc1ccc2cccc(c2c1)C 62a_100000766300_100010089936 [0,2,0,0,0,0|0,1,0]=3 5712 B16R2.1293 COCSc1ccc2cccc(c2c1)N 62a_100000766300_100010090012 [0,2,0,0,0,0|0,1,0]=3 5713 B16R2.1293 COCSc1ccc2cccc(c2c1)N 62a_100010090012_100000766300 [0,2,0,0,0,0|0,1,0]=3 5714 B16R2.1293 COCSc1ccc2cccc(c2c1)O 62a_100000766300_100010089991 [0,2,0,0,0,0|0,1,0]=3 5715 B16R2.1293 COCSc1ccc2cccc(c2n1)C 62a_100000766300_100012002297 [0,2,0,0,0,0|1,1,0]=4 5716 B16R2.1293 COCSc1ccc2cccc(c2n1)F 62a_100000766300_100012017632 [0,2,0,0,0,0|1,1,0]=4 5717 B16R2.1293 COCSc1ccc2cccc(c2n1)O 62a_100000766300_100000013812 [0,2,0,0,0,0|1,1,0]=4 5718 B16R2.1293 COCSc1ccc2ccnc(c2c1)C 62a_100000766300_200010739692 [0,2,0,0,0,0|1,1,0]=4 5719 B16R2.1293 COCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000766300 [0,2,0,0,0,0|1,1,0]=4 5720 B16R2.1293 COCSc1ccc2ccnc(c2c1)N 62a_100000766300_100012352255 [0,2,0,0,0,0|1,1,0]=4 5721 B16R2.1293 COCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000766300 [0,2,0,0,0,0|1,1,0]=4 5722 B16R2.1293 COCSc1ccc2ccnc(c2c1)O 62a_100000766300_100000010956 [0,2,0,0,0,0|1,1,0]=4 5723 B16R2.1293 COCSc1ccc2cncc(c2c1)O 62a_100000766300_100010136424 [0,2,0,0,0,0|1,1,0]=4 5724 B16R2.1293 COCSc1ccc2nccc(c2c1)C 62a_100000766300_100009817033 [0,2,0,0,0,0|1,1,0]=4 5725 B16R2.1293 COCSc1ccc2nccc(c2c1)C 62a_100009817033_100000766300 [0,2,0,0,0,0|1,1,0]=4 5726 B16R2.1293 COCSc1ccc2nccc(c2c1)Cl 62a_100000766300_100011310491 [0,2,0,0,0,0|1,1,0]=4 5727 B16R2.1293 COCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000766300 [0,2,0,0,0,0|1,1,0]=4 5728 B16R2.1293 COCSc1ccc2nccc(c2c1)N 62a_100000766300_100011620571 [0,2,0,0,0,0|1,1,0]=4 5729 B16R2.1293 COCSc1ccc2nccc(c2c1)N 62a_100011620571_100000766300 [0,2,0,0,0,0|1,1,0]=4 5730 B16R2.1293 COCSc1ccc2occc(=O)c2c1 62a_100000766300_100009813387 [0,2,0,0,0,0|1,1,0]=4 5731 B16R2.1293 COCSc1cnc2cccc(c2c1)N 62a_100000766300_100010264086 [0,2,0,0,0,0|1,1,0]=4 5732 B16R2.1293 COCSc1cnc2cccc(c2c1)N 62a_100010264086_100000766300 [0,2,0,0,0,0|1,1,0]=4 5733 B16R2.1293 COCSc1cnc2cccc(c2c1)O 62a_100000766300_200010153752 [0,2,0,0,0,0|1,1,0]=4 5734 B16R2.1293 CSCNc1ccc2cccc(c2c1)O 34a_100132313934_100011218213 [0,2,0,0,0,0|1,0,0]=3 5735 B16R2.1293 CSCNc1ccc2nccc(c2c1)Br 34a_100010074812_100011218213 [0,2,0,0,0,0|2,0,0]=4 5736 B16R2.1293 CSCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011218213 [0,2,0,0,0,0|2,0,0]=4 5737 B16R2.1293 CSCNc1ccc2occc(=O)c2c1 34a_100000088200_100011218213 [0,2,0,0,0,0|2,0,0]=4 5738 B16R2.1293 CSCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011218213 [0,2,0,0,0,0|0,0,0]=2 5739 B16R2.1293 CSCOc1ccc2cccc(c2c1)C 34a_200000091600_100011218213 [0,2,0,0,0,0|0,0,0]=2 5740 B16R2.1293 CSCOc1ccc2cccc(c2c1)F 34a_100000091619_100011218213 [0,2,0,0,0,0|0,0,0]=2 5741 B16R2.1293 CSCOc1ccc2cccc(c2c1)N 34a_100000034012_100011218213 [0,2,0,0,0,0|0,0,0]=2 5742 B16R2.1293 CSCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011218213 [0,2,0,0,0,0|1,0,0]=3 5743 B16R2.1293 CSCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011218213 [0,2,0,0,0,0|1,0,0]=3 5744 B16R2.1293 CSCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011218213 [0,2,0,0,0,0|1,0,0]=3 5745 B16R2.1293 CSCSc1ccc2[nH]ccc(=O)c2c1 62a_100011218213_100000746092 [0,2,0,0,0,0|1,1,0]=4 5746 B16R2.1293 CSCSc1ccc2cccc(c2c1)C 62a_100011218213_100010089936 [0,2,0,0,0,0|0,1,0]=3 5747 B16R2.1293 CSCSc1ccc2cccc(c2c1)N 62a_100010090012_100011218213 [0,2,0,0,0,0|0,1,0]=3 5748 B16R2.1293 CSCSc1ccc2cccc(c2c1)N 62a_100011218213_100010090012 [0,2,0,0,0,0|0,1,0]=3 5749 B16R2.1293 CSCSc1ccc2cccc(c2c1)O 62a_100011218213_100010089991 [0,2,0,0,0,0|0,1,0]=3 5750 B16R2.1293 CSCSc1ccc2cccc(c2n1)C 62a_100011218213_100012002297 [0,2,0,0,0,0|1,1,0]=4 5751 B16R2.1293 CSCSc1ccc2cccc(c2n1)F 62a_100011218213_100012017632 [0,2,0,0,0,0|1,1,0]=4 5752 B16R2.1293 CSCSc1ccc2cccc(c2n1)O 62a_100011218213_100000013812 [0,2,0,0,0,0|1,1,0]=4 5753 B16R2.1293 CSCSc1ccc2ccnc(c2c1)C 62a_100011218213_200010739692 [0,2,0,0,0,0|1,1,0]=4 5754 B16R2.1293 CSCSc1ccc2ccnc(c2c1)C 62a_200010739692_100011218213 [0,2,0,0,0,0|1,1,0]=4 5755 B16R2.1293 CSCSc1ccc2ccnc(c2c1)N 62a_100011218213_100012352255 [0,2,0,0,0,0|1,1,0]=4 5756 B16R2.1293 CSCSc1ccc2ccnc(c2c1)N 62a_100012352255_100011218213 [0,2,0,0,0,0|1,1,0]=4 5757 B16R2.1293 CSCSc1ccc2ccnc(c2c1)O 62a_100011218213_100000010956 [0,2,0,0,0,0|1,1,0]=4 5758 B16R2.1293 CSCSc1ccc2cncc(c2c1)O 62a_100011218213_100010136424 [0,2,0,0,0,0|1,1,0]=4 5759 B16R2.1293 CSCSc1ccc2nccc(c2c1)C 62a_100009817033_100011218213 [0,2,0,0,0,0|1,1,0]=4 5760 B16R2.1293 CSCSc1ccc2nccc(c2c1)C 62a_100011218213_100009817033 [0,2,0,0,0,0|1,1,0]=4 5761 B16R2.1293 CSCSc1ccc2nccc(c2c1)Cl 62a_100011218213_100011310491 [0,2,0,0,0,0|1,1,0]=4 5762 B16R2.1293 CSCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011218213 [0,2,0,0,0,0|1,1,0]=4 5763 B16R2.1293 CSCSc1ccc2nccc(c2c1)N 62a_100011218213_100011620571 [0,2,0,0,0,0|1,1,0]=4 5764 B16R2.1293 CSCSc1ccc2nccc(c2c1)N 62a_100011620571_100011218213 [0,2,0,0,0,0|1,1,0]=4 5765 B16R2.1293 CSCSc1ccc2occc(=O)c2c1 62a_100011218213_100009813387 [0,2,0,0,0,0|1,1,0]=4 5766 B16R2.1293 CSCSc1cnc2cccc(c2c1)N 62a_100010264086_100011218213 [0,2,0,0,0,0|1,1,0]=4 5767 B16R2.1293 CSCSc1cnc2cccc(c2c1)N 62a_100011218213_100010264086 [0,2,0,0,0,0|1,1,0]=4 5768 B16R2.1293 CSCSc1cnc2cccc(c2c1)O 62a_100011218213_200010153752 [0,2,0,0,0,0|1,1,0]=4 5769 B16R2.1293 Cc1cccc2c1cc(cc2)OCC#N 7a_200000091600_100011215382 [0,2,0,0,0,0|0,0,1]=3 5770 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 34a_200000091600_200009817547 [0,2,0,0,0,0|0,0,1]=3 5771 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 7a_200000091600_200015260668 [0,2,0,0,0,0|0,0,1]=3 5772 B16R2.1293 Cc1cccc2c1cc(cc2)OCCF 34a_200000091600_100011217306 [0,2,0,0,0,0|0,0,0]=2 5773 B16R2.1293 Cc1cccc2c1cc(cc2)OCCF 7a_200000091600_100011217306 [0,2,0,0,0,0|0,0,0]=2 5774 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 34a_200000091600_100000211926 [0,2,0,0,0,0|0,0,0]=2 5775 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 7a_200000091600_100000211926 [0,2,0,0,0,0|0,0,0]=2 5776 B16R2.1293 Cc1cccc2c1cc(cc2)SCC#N 62a_100011215382_100010089936 [0,2,0,0,0,0|0,1,1]=4 5777 B16R2.1293 Cc1cccc2c1cc(cc2)SCC=O 62a_200015260668_100010089936 [0,2,0,0,0,0|0,1,1]=4 5778 B16R2.1293 Cc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010089936 [0,2,0,0,0,0|0,1,0]=3 5779 B16R2.1293 Cc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010089936 [0,2,0,0,0,0|0,1,0]=3 5780 B16R2.1293 Cc1cccc2c1nc(cc2)NCCO 27a_100000210304_100012002297 [0,2,0,0,0,0|2,0,0]=4 5781 B16R2.1293 Cc1cccc2c1nc(cc2)SCCF 62a_100011217306_100012002297 [0,2,0,0,0,0|1,1,0]=4 5782 B16R2.1293 Cc1cccc2c1nc(cc2)SCCO 62a_100000211926_100012002297 [0,2,0,0,0,0|1,1,0]=4 5783 B16R2.1293 Cc1ccnc2c1cc(cc2)SCCF 62a_100009817033_100011217306 [0,2,0,0,0,0|1,1,0]=4 5784 B16R2.1293 Cc1ccnc2c1cc(cc2)SCCF 62a_100011217306_100009817033 [0,2,0,0,0,0|1,1,0]=4 5785 B16R2.1293 Cc1ccnc2c1cc(cc2)SCCO 62a_100000211926_100009817033 [0,2,0,0,0,0|1,1,0]=4 5786 B16R2.1293 Cc1ccnc2c1cc(cc2)SCCO 62a_100009817033_100000211926 [0,2,0,0,0,0|1,1,0]=4 5787 B16R2.1293 Cc1nccc2c1cc(cc2)SCCF 62a_100011217306_200010739692 [0,2,0,0,0,0|1,1,0]=4 5788 B16R2.1293 Cc1nccc2c1cc(cc2)SCCF 62a_200010739692_100011217306 [0,2,0,0,0,0|1,1,0]=4 5789 B16R2.1293 Cc1nccc2c1cc(cc2)SCCO 62a_100000211926_200010739692 [0,2,0,0,0,0|1,1,0]=4 5790 B16R2.1293 Cc1nccc2c1cc(cc2)SCCO 62a_200010739692_100000211926 [0,2,0,0,0,0|1,1,0]=4 5791 B16R2.1293 FCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100011217306 [0,2,0,0,0,0|2,0,0]=4 5792 B16R2.1293 FCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011217306 [0,2,0,0,0,0|2,0,0]=4 5793 B16R2.1293 FCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011217306 [0,2,0,0,0,0|0,0,0]=2 5794 B16R2.1293 FCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011217306 [0,2,0,0,0,0|0,0,0]=2 5795 B16R2.1293 FCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011217306 [0,2,0,0,0,0|0,0,0]=2 5796 B16R2.1293 FCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011217306 [0,2,0,0,0,0|0,0,0]=2 5797 B16R2.1293 FCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011217306 [0,2,0,0,0,0|1,0,0]=3 5798 B16R2.1293 FCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011217306 [0,2,0,0,0,0|1,0,0]=3 5799 B16R2.1293 FCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011217306 [0,2,0,0,0,0|1,0,0]=3 5800 B16R2.1293 FCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011217306 [0,2,0,0,0,0|1,0,0]=3 5801 B16R2.1293 FCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011217306 [0,2,0,0,0,0|1,0,0]=3 5802 B16R2.1293 FCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011217306 [0,2,0,0,0,0|1,0,0]=3 5803 B16R2.1293 FCCSc1ccc2cccc(c2n1)F 62a_100011217306_100012017632 [0,2,0,0,0,0|1,1,0]=4 5804 B16R2.1293 FCCSc1ccc2nccc(c2c1)Cl 62a_100011217306_100011310491 [0,2,0,0,0,0|1,1,0]=4 5805 B16R2.1293 FCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011217306 [0,2,0,0,0,0|1,1,0]=4 5806 B16R2.1293 N#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215382 [0,2,0,0,0,0|0,0,1]=3 5807 B16R2.1293 N#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215382 [0,2,0,0,0,0|0,0,1]=3 5808 B16R2.1293 N#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100011215382 [0,2,0,0,0,0|0,0,1]=3 5809 B16R2.1293 N#CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011215382 [0,2,0,0,0,0|1,0,1]=4 5810 B16R2.1293 N#CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011215382 [0,2,0,0,0,0|1,0,1]=4 5811 B16R2.1293 N#CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011215382 [0,2,0,0,0,0|1,0,1]=4 5812 B16R2.1293 N#CCSc1ccc2cccc(c2c1)N 62a_100010090012_100011215382 [0,2,0,0,0,0|0,1,1]=4 5813 B16R2.1293 N#CCSc1ccc2cccc(c2c1)N 62a_100011215382_100010090012 [0,2,0,0,0,0|0,1,1]=4 5814 B16R2.1293 N#CCSc1ccc2cccc(c2c1)O 62a_100011215382_100010089991 [0,2,0,0,0,0|0,1,1]=4 5815 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 34a_100000034012_200009817547 [0,2,0,0,0,0|0,0,1]=3 5816 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 7a_100000034012_200015260668 [0,2,0,0,0,0|0,0,1]=3 5817 B16R2.1293 Nc1cccc2c1cc(cc2)OCCF 34a_100000034012_100011217306 [0,2,0,0,0,0|0,0,0]=2 5818 B16R2.1293 Nc1cccc2c1cc(cc2)OCCF 7a_100000034012_100011217306 [0,2,0,0,0,0|0,0,0]=2 5819 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 34a_100000034012_100000211926 [0,2,0,0,0,0|0,0,0]=2 5820 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 7a_100000034012_100000211926 [0,2,0,0,0,0|0,0,0]=2 5821 B16R2.1293 Nc1cccc2c1cc(cc2)SCC=O 62a_100010090012_200015260668 [0,2,0,0,0,0|0,1,1]=4 5822 B16R2.1293 Nc1cccc2c1cc(cc2)SCC=O 62a_200015260668_100010090012 [0,2,0,0,0,0|0,1,1]=4 5823 B16R2.1293 Nc1cccc2c1cc(cc2)SCCF 62a_100010090012_100011217306 [0,2,0,0,0,0|0,1,0]=3 5824 B16R2.1293 Nc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010090012 [0,2,0,0,0,0|0,1,0]=3 5825 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010090012 [0,2,0,0,0,0|0,1,0]=3 5826 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100010090012_100000211926 [0,2,0,0,0,0|0,1,0]=3 5827 B16R2.1293 Nc1cccc2c1cc(cn2)SCCF 62a_100010264086_100011217306 [0,2,0,0,0,0|1,1,0]=4 5828 B16R2.1293 Nc1cccc2c1cc(cn2)SCCF 62a_100011217306_100010264086 [0,2,0,0,0,0|1,1,0]=4 5829 B16R2.1293 Nc1cccc2c1cc(cn2)SCCO 62a_100000211926_100010264086 [0,2,0,0,0,0|1,1,0]=4 5830 B16R2.1293 Nc1cccc2c1cc(cn2)SCCO 62a_100010264086_100000211926 [0,2,0,0,0,0|1,1,0]=4 5831 B16R2.1293 Nc1ccnc2c1cc(cc2)SCCF 62a_100011217306_100011620571 [0,2,0,0,0,0|1,1,0]=4 5832 B16R2.1293 Nc1ccnc2c1cc(cc2)SCCF 62a_100011620571_100011217306 [0,2,0,0,0,0|1,1,0]=4 5833 B16R2.1293 Nc1ccnc2c1cc(cc2)SCCO 62a_100000211926_100011620571 [0,2,0,0,0,0|1,1,0]=4 5834 B16R2.1293 Nc1ccnc2c1cc(cc2)SCCO 62a_100011620571_100000211926 [0,2,0,0,0,0|1,1,0]=4 5835 B16R2.1293 Nc1nccc2c1cc(cc2)SCCF 62a_100011217306_100012352255 [0,2,0,0,0,0|1,1,0]=4 5836 B16R2.1293 Nc1nccc2c1cc(cc2)SCCF 62a_100012352255_100011217306 [0,2,0,0,0,0|1,1,0]=4 5837 B16R2.1293 Nc1nccc2c1cc(cc2)SCCO 62a_100000211926_100012352255 [0,2,0,0,0,0|1,1,0]=4 5838 B16R2.1293 Nc1nccc2c1cc(cc2)SCCO 62a_100012352255_100000211926 [0,2,0,0,0,0|1,1,0]=4 5839 B16R2.1293 O=CCNc1ccc2cccc(c2c1)O 34a_100132313934_200009817547 [0,2,0,0,0,0|1,0,1]=4 5840 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_200009817547 [0,2,0,0,0,0|0,0,1]=3 5841 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_200015260668 [0,2,0,0,0,0|0,0,1]=3 5842 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 34a_100000091619_200009817547 [0,2,0,0,0,0|0,0,1]=3 5843 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 7a_100000091619_200015260668 [0,2,0,0,0,0|0,0,1]=3 5844 B16R2.1293 O=CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_200009817547 [0,2,0,0,0,0|1,0,1]=4 5845 B16R2.1293 O=CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_200015260668 [0,2,0,0,0,0|1,0,1]=4 5846 B16R2.1293 O=CCOc1ccc2nccc(c2c1)Br 34a_100010204251_200009817547 [0,2,0,0,0,0|1,0,1]=4 5847 B16R2.1293 O=CCOc1ccc2nccc(c2c1)Br 7a_100010204251_200015260668 [0,2,0,0,0,0|1,0,1]=4 5848 B16R2.1293 O=CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_200009817547 [0,2,0,0,0,0|1,0,1]=4 5849 B16R2.1293 O=CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_200015260668 [0,2,0,0,0,0|1,0,1]=4 5850 B16R2.1293 O=CCSc1ccc2cccc(c2c1)O 62a_200015260668_100010089991 [0,2,0,0,0,0|0,1,1]=4 5851 B16R2.1293 O=c1[nH]cnc2c1cc(cc2)OCCF 7a_100011934087_100011217306 [0,2,0,0,0,0|2,0,0]=4 5852 B16R2.1293 O=c1[nH]cnc2c1cc(cc2)OCCO 7a_100011934087_100000211926 [0,2,0,0,0,0|2,0,0]=4 5853 B16R2.1293 O=c1cc[nH]c2c1cc(cc2)SCCF 62a_100011217306_100000746092 [0,2,0,0,0,0|1,1,0]=4 5854 B16R2.1293 O=c1cc[nH]c2c1cc(cc2)SCCO 62a_100000211926_100000746092 [0,2,0,0,0,0|1,1,0]=4 5855 B16R2.1293 O=c1ccoc2c1cc(cc2)NCCF 34a_100000088200_100011217306 [0,2,0,0,0,0|2,0,0]=4 5856 B16R2.1293 O=c1ccoc2c1cc(cc2)NCCO 34a_100000088200_100000211926 [0,2,0,0,0,0|2,0,0]=4 5857 B16R2.1293 O=c1ccoc2c1cc(cc2)SCCF 62a_100011217306_100009813387 [0,2,0,0,0,0|1,1,0]=4 5858 B16R2.1293 O=c1ccoc2c1cc(cc2)SCCO 62a_100000211926_100009813387 [0,2,0,0,0,0|1,1,0]=4 5859 B16R2.1293 OCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000211926 [0,2,0,0,0,0|1,0,0]=3 5860 B16R2.1293 OCCNc1ccc2cccc(c2n1)O 27a_100000210304_100010153751 [0,2,0,0,0,0|2,0,0]=4 5861 B16R2.1293 OCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000211926 [0,2,0,0,0,0|2,0,0]=4 5862 B16R2.1293 OCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000211926 [0,2,0,0,0,0|2,0,0]=4 5863 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000211926 [0,2,0,0,0,0|0,0,0]=2 5864 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000211926 [0,2,0,0,0,0|0,0,0]=2 5865 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000211926 [0,2,0,0,0,0|0,0,0]=2 5866 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000211926 [0,2,0,0,0,0|0,0,0]=2 5867 B16R2.1293 OCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000211926 [0,2,0,0,0,0|1,0,0]=3 5868 B16R2.1293 OCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000211926 [0,2,0,0,0,0|1,0,0]=3 5869 B16R2.1293 OCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000211926 [0,2,0,0,0,0|1,0,0]=3 5870 B16R2.1293 OCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000211926 [0,2,0,0,0,0|1,0,0]=3 5871 B16R2.1293 OCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000211926 [0,2,0,0,0,0|1,0,0]=3 5872 B16R2.1293 OCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000211926 [0,2,0,0,0,0|1,0,0]=3 5873 B16R2.1293 OCCSc1ccc2cccc(c2c1)O 62a_100000211926_100010089991 [0,2,0,0,0,0|0,1,0]=3 5874 B16R2.1293 OCCSc1ccc2cccc(c2n1)F 62a_100000211926_100012017632 [0,2,0,0,0,0|1,1,0]=4 5875 B16R2.1293 OCCSc1ccc2cccc(c2n1)O 62a_100000211926_100000013812 [0,2,0,0,0,0|1,1,0]=4 5876 B16R2.1293 OCCSc1ccc2ccnc(c2c1)O 62a_100000211926_100000010956 [0,2,0,0,0,0|1,1,0]=4 5877 B16R2.1293 OCCSc1ccc2cncc(c2c1)O 62a_100000211926_100010136424 [0,2,0,0,0,0|1,1,0]=4 5878 B16R2.1293 OCCSc1ccc2nccc(c2c1)Cl 62a_100000211926_100011310491 [0,2,0,0,0,0|1,1,0]=4 5879 B16R2.1293 OCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000211926 [0,2,0,0,0,0|1,1,0]=4 5880 B16R2.1293 OCCSc1cnc2cccc(c2c1)O 62a_100000211926_200010153752 [0,2,0,0,0,0|1,1,0]=4 5881 B16R2.1293 Oc1cccc2c1cc(cc2)NCCF 34a_100132313934_100011217306 [0,2,0,0,0,0|1,0,0]=3 5882 B16R2.1293 Oc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010089991 [0,2,0,0,0,0|0,1,0]=3 5883 B16R2.1293 Oc1cccc2c1cc(cn2)SCCF 62a_100011217306_200010153752 [0,2,0,0,0,0|1,1,0]=4 5884 B16R2.1293 Oc1cccc2c1nc(cc2)SCCF 62a_100011217306_100000013812 [0,2,0,0,0,0|1,1,0]=4 5885 B16R2.1293 Oc1cncc2c1cc(cc2)SCCF 62a_100011217306_100010136424 [0,2,0,0,0,0|1,1,0]=4 5886 B16R2.1293 Oc1nccc2c1cc(cc2)SCCF 62a_100011217306_100000010956 [0,2,0,0,0,0|1,1,0]=4 5887 B16R2.2441 BrCCOCc1cc2ccccc2cn1 34a_100000211926_100009869231 [0,2,0,0,0,0|1,0,0]=3 5888 B16R2.2441 BrCCOCc1ccc2ccccc2c1 34a_100000211926_100011216711 [0,2,0,0,0,0|0,0,0]=2 5889 B16R2.2441 BrCCOCc1ccc2ccccc2n1 34a_100000211926_100000737579 [0,2,0,0,0,0|1,0,0]=3 5890 B16R2.2441 BrCCOCc1ccc2cnccc2c1 34a_100000211926_100020605334 [0,2,0,0,0,0|1,0,0]=3 5891 B16R2.2441 BrCCOCc1ccc2ncccc2c1 34a_100000211926_100000703657 [0,2,0,0,0,0|1,0,0]=3 5892 B16R2.2441 BrCCOCc1ncc2ccccc2n1 34a_100000211926_100009868571 [0,2,0,0,0,0|2,0,0]=4 5893 B16R2.2441 C#CCCNc1ccc2ccccc2c1 34a_100000211940_100000688953 [0,2,0,0,0,0|1,0,0]=3 5894 B16R2.2441 C#CCCNc1ccc2ccccc2c1 7a_100000211940_100000688953 [0,2,0,0,0,0|1,0,0]=3 5895 B16R2.2441 C#CCCNc1ccc2ccccc2n1 27a_100000755551_100011291633 [0,2,0,0,0,0|2,0,0]=4 5896 B16R2.2441 C#CCCNc1ccc2cccnc2c1 34a_100102887122_100000688953 [0,2,0,0,0,0|2,0,0]=4 5897 B16R2.2441 C#CCCNc1ccc2cnccc2c1 34a_100000039641_100000688953 [0,2,0,0,0,0|2,0,0]=4 5898 B16R2.2441 C#CCCNc1ccc2ncccc2c1 34a_100011198106_100000688953 [0,2,0,0,0,0|2,0,0]=4 5899 B16R2.2441 C#CCCOc1ccc2ccccc2c1 34a_100000185828_100000688953 [0,2,0,0,0,0|0,0,0]=2 5900 B16R2.2441 C#CCCOc1ccc2ccccc2c1 7a_100000185828_100000688953 [0,2,0,0,0,0|0,0,0]=2 5901 B16R2.2441 C#CCCOc1ccc2cccnc2c1 34a_100011216045_100000688953 [0,2,0,0,0,0|1,0,0]=3 5902 B16R2.2441 C#CCCOc1ccc2ccncc2c1 7a_100000752006_100000688953 [0,2,0,0,0,0|1,0,0]=3 5903 B16R2.2441 C#CCCOc1ccc2cnccc2c1 34a_100000046372_100000688953 [0,2,0,0,0,0|1,0,0]=3 5904 B16R2.2441 C#CCCOc1ccc2cnccc2c1 7a_100000046372_100000688953 [0,2,0,0,0,0|1,0,0]=3 5905 B16R2.2441 C#CCCOc1ccc2ncccc2c1 34a_100011215586_100000688953 [0,2,0,0,0,0|1,0,0]=3 5906 B16R2.2441 C#CCCOc1ccc2ncccc2c1 7a_100011215586_100000688953 [0,2,0,0,0,0|1,0,0]=3 5907 B16R2.2441 C#CCCOc1ccc2nccnc2c1 34a_100000694412_100000688953 [0,2,0,0,0,0|2,0,0]=4 5908 B16R2.2441 C#CCCOc1cnc2ccccc2c1 34a_100011934006_100000688953 [0,2,0,0,0,0|1,0,0]=3 5909 B16R2.2441 C#CCCOc1cnc2ccccc2c1 7a_100011934006_100000688953 [0,2,0,0,0,0|1,0,0]=3 5910 B16R2.2441 C#CCCSc1cc2ccccc2cn1 62a_100000688953_100000047361 [0,2,0,0,0,0|1,1,0]=4 5911 B16R2.2441 C#CCCSc1cc2ccccc2cn1 62a_100009816522_100000688953 [0,2,0,0,0,0|1,1,0]=4 5912 B16R2.2441 C#CCCSc1ccc2ccccc2c1 62a_100000688953_100000233703 [0,2,0,0,0,0|0,1,0]=3 5913 B16R2.2441 C#CCCSc1ccc2ccccc2n1 62a_100000688953_100011291633 [0,2,0,0,0,0|1,1,0]=4 5914 B16R2.2441 C#CCCSc1ccc2ccccc2n1 62a_100011291633_100000688953 [0,2,0,0,0,0|1,1,0]=4 5915 B16R2.2441 C#CCCSc1ccc2cccnc2c1 62a_100000688953_100009816655 [0,2,0,0,0,0|1,1,0]=4 5916 B16R2.2441 C#CCCSc1ccc2ccncc2c1 62a_100000686496_100000688953 [0,2,0,0,0,0|1,1,0]=4 5917 B16R2.2441 C#CCCSc1ccc2ccncc2c1 62a_100000688953_100000686496 [0,2,0,0,0,0|1,1,0]=4 5918 B16R2.2441 C#CCCSc1ccc2cnccc2c1 62a_100000688953_100009816743 [0,2,0,0,0,0|1,1,0]=4 5919 B16R2.2441 C#CCCSc1ccc2cnccc2c1 62a_100009816743_100000688953 [0,2,0,0,0,0|1,1,0]=4 5920 B16R2.2441 C#CCCSc1ccc2ncccc2c1 62a_100000688953_100011215947 [0,2,0,0,0,0|1,1,0]=4 5921 B16R2.2441 C#CCCSc1ccc2ncccc2c1 62a_100011215947_100000688953 [0,2,0,0,0,0|1,1,0]=4 5922 B16R2.2441 C#CCCSc1cnc2ccccc2c1 62a_100000688953_100000737414 [0,2,0,0,0,0|1,1,0]=4 5923 B16R2.2441 C#CCNCc1ccc2ccccc2c1 2230a_100000739491_100000038162 [0,2,0,0,0,0|1,0,1]=4 5924 B16R2.2441 C#CCNCc1ccc2ccccc2c1 34a_100000212058_100011216711 [0,2,0,0,0,0|1,0,1]=4 5925 B16R2.2441 C#CCNCc1ccc2ccccc2c1 34a_100000739491_100000184674 [0,2,0,0,0,0|1,0,1]=4 5926 B16R2.2441 C#CCOCc1cc2ccccc2cn1 34a_100000210247_100009869231 [0,2,0,0,0,0|1,0,1]=4 5927 B16R2.2441 C#CCOCc1ccc2ccccc2c1 34a_100000210247_100011216711 [0,2,0,0,0,0|0,0,1]=3 5928 B16R2.2441 C#CCOCc1ccc2ccccc2c1 34a_100011215330_100000184674 [0,2,0,0,0,0|0,0,1]=3 5929 B16R2.2441 C#CCOCc1ccc2ccccc2c1 7a_100011215330_100000038162 [0,2,0,0,0,0|0,0,1]=3 5930 B16R2.2441 C#CCOCc1ccc2ccccc2n1 34a_100000210247_100000737579 [0,2,0,0,0,0|1,0,1]=4 5931 B16R2.2441 C#CCOCc1ccc2cnccc2c1 34a_100000210247_100020605334 [0,2,0,0,0,0|1,0,1]=4 5932 B16R2.2441 C#CCOCc1ccc2ncccc2c1 34a_100000210247_100000703657 [0,2,0,0,0,0|1,0,1]=4 5933 B16R2.2441 C#CCOCc1ccc2ncccc2c1 34a_100011315636_100000184674 [0,2,0,0,0,0|1,0,1]=4 5934 B16R2.2441 C#CCOCc1cnc2ccccc2c1 34a_100011258773_100000184674 [0,2,0,0,0,0|1,0,1]=4 5935 B16R2.2441 C#CCSCc1ccc2ccccc2c1 62a_100000038162_100011216711 [0,2,0,0,0,0|0,1,1]=4 5936 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 34a_100000211940_100102629194 [0,2,0,0,0,0|1,0,0]=3 5937 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 7a_100000211940_100102629194 [0,2,0,0,0,0|1,0,0]=3 5938 B16R2.2441 C/C=C/CNc1ccc2cccnc2c1 34a_100102887122_100102629194 [0,2,0,0,0,0|2,0,0]=4 5939 B16R2.2441 C/C=C/CNc1ccc2cnccc2c1 34a_100000039641_100102629194 [0,2,0,0,0,0|2,0,0]=4 5940 B16R2.2441 C/C=C/CNc1ccc2ncccc2c1 34a_100011198106_100102629194 [0,2,0,0,0,0|2,0,0]=4 5941 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 34a_100000185828_100102629194 [0,2,0,0,0,0|0,0,0]=2 5942 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 7a_100000185828_100102629194 [0,2,0,0,0,0|0,0,0]=2 5943 B16R2.2441 C/C=C/COc1ccc2cccnc2c1 34a_100011216045_100102629194 [0,2,0,0,0,0|1,0,0]=3 5944 B16R2.2441 C/C=C/COc1ccc2ccncc2c1 7a_100000752006_100102629194 [0,2,0,0,0,0|1,0,0]=3 5945 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 34a_100000046372_100102629194 [0,2,0,0,0,0|1,0,0]=3 5946 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 7a_100000046372_100102629194 [0,2,0,0,0,0|1,0,0]=3 5947 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 34a_100011215586_100102629194 [0,2,0,0,0,0|1,0,0]=3 5948 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 7a_100011215586_100102629194 [0,2,0,0,0,0|1,0,0]=3 5949 B16R2.2441 C/C=C/COc1ccc2nccnc2c1 34a_100000694412_100102629194 [0,2,0,0,0,0|2,0,0]=4 5950 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 34a_100011934006_100102629194 [0,2,0,0,0,0|1,0,0]=3 5951 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 7a_100011934006_100102629194 [0,2,0,0,0,0|1,0,0]=3 5952 B16R2.2441 C/C=C/CSc1cc2ccccc2cn1 62a_100009816522_100102629194 [0,2,0,0,0,0|1,1,0]=4 5953 B16R2.2441 C/C=C/CSc1cc2ccccc2cn1 62a_100102629194_100000047361 [0,2,0,0,0,0|1,1,0]=4 5954 B16R2.2441 C/C=C/CSc1ccc2ccccc2c1 62a_100102629194_100000233703 [0,2,0,0,0,0|0,1,0]=3 5955 B16R2.2441 C/C=C/CSc1ccc2ccccc2n1 62a_100011291633_100102629194 [0,2,0,0,0,0|1,1,0]=4 5956 B16R2.2441 C/C=C/CSc1ccc2ccccc2n1 62a_100102629194_100011291633 [0,2,0,0,0,0|1,1,0]=4 5957 B16R2.2441 C/C=C/CSc1ccc2cccnc2c1 62a_100102629194_100009816655 [0,2,0,0,0,0|1,1,0]=4 5958 B16R2.2441 C/C=C/CSc1ccc2ccncc2c1 62a_100000686496_100102629194 [0,2,0,0,0,0|1,1,0]=4 5959 B16R2.2441 C/C=C/CSc1ccc2ccncc2c1 62a_100102629194_100000686496 [0,2,0,0,0,0|1,1,0]=4 5960 B16R2.2441 C/C=C/CSc1ccc2cnccc2c1 62a_100009816743_100102629194 [0,2,0,0,0,0|1,1,0]=4 5961 B16R2.2441 C/C=C/CSc1ccc2cnccc2c1 62a_100102629194_100009816743 [0,2,0,0,0,0|1,1,0]=4 5962 B16R2.2441 C/C=C/CSc1ccc2ncccc2c1 62a_100011215947_100102629194 [0,2,0,0,0,0|1,1,0]=4 5963 B16R2.2441 C/C=C/CSc1ccc2ncccc2c1 62a_100102629194_100011215947 [0,2,0,0,0,0|1,1,0]=4 5964 B16R2.2441 C/C=C/CSc1cnc2ccccc2c1 62a_100102629194_100000737414 [0,2,0,0,0,0|1,1,0]=4 5965 B16R2.2441 C=CCCNc1ccc2ccccc2c1 34a_100000211940_100000754431 [0,2,0,0,0,0|1,0,0]=3 5966 B16R2.2441 C=CCCNc1ccc2ccccc2c1 7a_100000211940_100000754431 [0,2,0,0,0,0|1,0,0]=3 5967 B16R2.2441 C=CCCNc1ccc2ccccc2n1 27a_100015191253_100011291633 [0,2,0,0,0,0|2,0,0]=4 5968 B16R2.2441 C=CCCNc1ccc2cccnc2c1 34a_100102887122_100000754431 [0,2,0,0,0,0|2,0,0]=4 5969 B16R2.2441 C=CCCNc1ccc2cnccc2c1 34a_100000039641_100000754431 [0,2,0,0,0,0|2,0,0]=4 5970 B16R2.2441 C=CCCNc1ccc2ncccc2c1 34a_100011198106_100000754431 [0,2,0,0,0,0|2,0,0]=4 5971 B16R2.2441 C=CCCOc1ccc2ccccc2c1 34a_100000185828_100000754431 [0,2,0,0,0,0|0,0,0]=2 5972 B16R2.2441 C=CCCOc1ccc2ccccc2c1 7a_100000185828_100000754431 [0,2,0,0,0,0|0,0,0]=2 5973 B16R2.2441 C=CCCOc1ccc2cccnc2c1 34a_100011216045_100000754431 [0,2,0,0,0,0|1,0,0]=3 5974 B16R2.2441 C=CCCOc1ccc2ccncc2c1 7a_100000752006_100000754431 [0,2,0,0,0,0|1,0,0]=3 5975 B16R2.2441 C=CCCOc1ccc2cnccc2c1 34a_100000046372_100000754431 [0,2,0,0,0,0|1,0,0]=3 5976 B16R2.2441 C=CCCOc1ccc2cnccc2c1 7a_100000046372_100000754431 [0,2,0,0,0,0|1,0,0]=3 5977 B16R2.2441 C=CCCOc1ccc2ncccc2c1 34a_100011215586_100000754431 [0,2,0,0,0,0|1,0,0]=3 5978 B16R2.2441 C=CCCOc1ccc2ncccc2c1 7a_100011215586_100000754431 [0,2,0,0,0,0|1,0,0]=3 5979 B16R2.2441 C=CCCOc1ccc2nccnc2c1 34a_100000694412_100000754431 [0,2,0,0,0,0|2,0,0]=4 5980 B16R2.2441 C=CCCOc1cnc2ccccc2c1 34a_100011934006_100000754431 [0,2,0,0,0,0|1,0,0]=3 5981 B16R2.2441 C=CCCOc1cnc2ccccc2c1 7a_100011934006_100000754431 [0,2,0,0,0,0|1,0,0]=3 5982 B16R2.2441 C=CCCSc1cc2ccccc2cn1 62a_100000754431_100000047361 [0,2,0,0,0,0|1,1,0]=4 5983 B16R2.2441 C=CCCSc1cc2ccccc2cn1 62a_100009816522_100000754431 [0,2,0,0,0,0|1,1,0]=4 5984 B16R2.2441 C=CCCSc1ccc2ccccc2c1 62a_100000754431_100000233703 [0,2,0,0,0,0|0,1,0]=3 5985 B16R2.2441 C=CCCSc1ccc2ccccc2n1 62a_100000754431_100011291633 [0,2,0,0,0,0|1,1,0]=4 5986 B16R2.2441 C=CCCSc1ccc2ccccc2n1 62a_100011291633_100000754431 [0,2,0,0,0,0|1,1,0]=4 5987 B16R2.2441 C=CCCSc1ccc2cccnc2c1 62a_100000754431_100009816655 [0,2,0,0,0,0|1,1,0]=4 5988 B16R2.2441 C=CCCSc1ccc2ccncc2c1 62a_100000686496_100000754431 [0,2,0,0,0,0|1,1,0]=4 5989 B16R2.2441 C=CCCSc1ccc2ccncc2c1 62a_100000754431_100000686496 [0,2,0,0,0,0|1,1,0]=4 5990 B16R2.2441 C=CCCSc1ccc2cnccc2c1 62a_100000754431_100009816743 [0,2,0,0,0,0|1,1,0]=4 5991 B16R2.2441 C=CCCSc1ccc2cnccc2c1 62a_100009816743_100000754431 [0,2,0,0,0,0|1,1,0]=4 5992 B16R2.2441 C=CCCSc1ccc2ncccc2c1 62a_100000754431_100011215947 [0,2,0,0,0,0|1,1,0]=4 5993 B16R2.2441 C=CCCSc1ccc2ncccc2c1 62a_100011215947_100000754431 [0,2,0,0,0,0|1,1,0]=4 5994 B16R2.2441 C=CCCSc1cnc2ccccc2c1 62a_100000754431_100000737414 [0,2,0,0,0,0|1,1,0]=4 5995 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210623 [0,2,0,0,0,0|1,0,1]=4 5996 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100020586998_100011216711 [0,2,0,0,0,0|1,0,1]=4 5997 B16R2.2441 C=CCNCc1ccc2ccccc2c1 270004a_100020586998_100000211584 [0,2,0,0,0,0|1,0,1]=4 5998 B16R2.2441 C=CCNCc1ccc2ccccc2c1 34a_100000739491_100015514636 [0,2,0,0,0,0|1,0,1]=4 5999 B16R2.2441 C=CCOCc1cc2ccccc2cn1 34a_200000210373_100009869231 [0,2,0,0,0,0|1,0,1]=4 6000 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_100011215330_100015514636 [0,2,0,0,0,0|0,0,1]=3 6001 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_200000210373_100011216711 [0,2,0,0,0,0|0,0,1]=3 6002 B16R2.2441 C=CCOCc1ccc2ccccc2c1 7a_100011215330_100015514636 [0,2,0,0,0,0|0,0,1]=3 6003 B16R2.2441 C=CCOCc1ccc2ccccc2n1 34a_200000210373_100000737579 [0,2,0,0,0,0|1,0,1]=4 6004 B16R2.2441 C=CCOCc1ccc2cnccc2c1 34a_200000210373_100020605334 [0,2,0,0,0,0|1,0,1]=4 6005 B16R2.2441 C=CCOCc1ccc2ncccc2c1 34a_100011315636_100015514636 [0,2,0,0,0,0|1,0,1]=4 6006 B16R2.2441 C=CCOCc1ccc2ncccc2c1 34a_200000210373_100000703657 [0,2,0,0,0,0|1,0,1]=4 6007 B16R2.2441 C=CCOCc1cnc2ccccc2c1 34a_100011258773_100015514636 [0,2,0,0,0,0|1,0,1]=4 6008 B16R2.2441 C=CCSCc1ccc2ccccc2c1 62a_100000210623_100011216711 [0,2,0,0,0,0|0,1,1]=4 6009 B16R2.2441 C=CCSCc1ccc2ccccc2c1 62a_100011216711_100000210623 [0,2,0,0,0,0|0,1,1]=4 6010 B16R2.2441 CC#CCNc1ccc2ccccc2c1 34a_100000211940_100000748600 [0,2,0,0,0,0|1,0,0]=3 6011 B16R2.2441 CC#CCNc1ccc2ccccc2c1 7a_100000211940_100000748600 [0,2,0,0,0,0|1,0,0]=3 6012 B16R2.2441 CC#CCNc1ccc2ccccc2n1 27a_100000685387_100011291633 [0,2,0,0,0,0|2,0,0]=4 6013 B16R2.2441 CC#CCNc1ccc2cccnc2c1 34a_100102887122_100000748600 [0,2,0,0,0,0|2,0,0]=4 6014 B16R2.2441 CC#CCNc1ccc2cnccc2c1 34a_100000039641_100000748600 [0,2,0,0,0,0|2,0,0]=4 6015 B16R2.2441 CC#CCNc1ccc2ncccc2c1 34a_100011198106_100000748600 [0,2,0,0,0,0|2,0,0]=4 6016 B16R2.2441 CC#CCOc1ccc2ccccc2c1 34a_100000185828_100000748600 [0,2,0,0,0,0|0,0,0]=2 6017 B16R2.2441 CC#CCOc1ccc2ccccc2c1 7a_100000185828_100000748600 [0,2,0,0,0,0|0,0,0]=2 6018 B16R2.2441 CC#CCOc1ccc2cccnc2c1 34a_100011216045_100000748600 [0,2,0,0,0,0|1,0,0]=3 6019 B16R2.2441 CC#CCOc1ccc2ccncc2c1 7a_100000752006_100000748600 [0,2,0,0,0,0|1,0,0]=3 6020 B16R2.2441 CC#CCOc1ccc2cnccc2c1 34a_100000046372_100000748600 [0,2,0,0,0,0|1,0,0]=3 6021 B16R2.2441 CC#CCOc1ccc2cnccc2c1 7a_100000046372_100000748600 [0,2,0,0,0,0|1,0,0]=3 6022 B16R2.2441 CC#CCOc1ccc2ncccc2c1 34a_100011215586_100000748600 [0,2,0,0,0,0|1,0,0]=3 6023 B16R2.2441 CC#CCOc1ccc2ncccc2c1 7a_100011215586_100000748600 [0,2,0,0,0,0|1,0,0]=3 6024 B16R2.2441 CC#CCOc1ccc2nccnc2c1 34a_100000694412_100000748600 [0,2,0,0,0,0|2,0,0]=4 6025 B16R2.2441 CC#CCOc1cnc2ccccc2c1 34a_100011934006_100000748600 [0,2,0,0,0,0|1,0,0]=3 6026 B16R2.2441 CC#CCOc1cnc2ccccc2c1 7a_100011934006_100000748600 [0,2,0,0,0,0|1,0,0]=3 6027 B16R2.2441 CC#CCSc1cc2ccccc2cn1 62a_100000748600_100000047361 [0,2,0,0,0,0|1,1,0]=4 6028 B16R2.2441 CC#CCSc1cc2ccccc2cn1 62a_100009816522_100000748600 [0,2,0,0,0,0|1,1,0]=4 6029 B16R2.2441 CC#CCSc1ccc2ccccc2c1 62a_100000748600_100000233703 [0,2,0,0,0,0|0,1,0]=3 6030 B16R2.2441 CC#CCSc1ccc2ccccc2n1 62a_100000748600_100011291633 [0,2,0,0,0,0|1,1,0]=4 6031 B16R2.2441 CC#CCSc1ccc2ccccc2n1 62a_100011291633_100000748600 [0,2,0,0,0,0|1,1,0]=4 6032 B16R2.2441 CC#CCSc1ccc2cccnc2c1 62a_100000748600_100009816655 [0,2,0,0,0,0|1,1,0]=4 6033 B16R2.2441 CC#CCSc1ccc2ccncc2c1 62a_100000686496_100000748600 [0,2,0,0,0,0|1,1,0]=4 6034 B16R2.2441 CC#CCSc1ccc2ccncc2c1 62a_100000748600_100000686496 [0,2,0,0,0,0|1,1,0]=4 6035 B16R2.2441 CC#CCSc1ccc2cnccc2c1 62a_100000748600_100009816743 [0,2,0,0,0,0|1,1,0]=4 6036 B16R2.2441 CC#CCSc1ccc2cnccc2c1 62a_100009816743_100000748600 [0,2,0,0,0,0|1,1,0]=4 6037 B16R2.2441 CC#CCSc1ccc2ncccc2c1 62a_100000748600_100011215947 [0,2,0,0,0,0|1,1,0]=4 6038 B16R2.2441 CC#CCSc1ccc2ncccc2c1 62a_100011215947_100000748600 [0,2,0,0,0,0|1,1,0]=4 6039 B16R2.2441 CC#CCSc1cnc2ccccc2c1 62a_100000748600_100000737414 [0,2,0,0,0,0|1,1,0]=4 6040 B16R2.2441 CC=CCNc1ccc2ccccc2c1 34a_100000211940_100000070051 [0,2,0,0,0,0|1,0,0]=3 6041 B16R2.2441 CC=CCNc1ccc2ccccc2c1 7a_100000211940_100000070051 [0,2,0,0,0,0|1,0,0]=3 6042 B16R2.2441 CC=CCNc1ccc2cccnc2c1 34a_100102887122_100000070051 [0,2,0,0,0,0|2,0,0]=4 6043 B16R2.2441 CC=CCNc1ccc2cnccc2c1 34a_100000039641_100000070051 [0,2,0,0,0,0|2,0,0]=4 6044 B16R2.2441 CC=CCNc1ccc2ncccc2c1 34a_100011198106_100000070051 [0,2,0,0,0,0|2,0,0]=4 6045 B16R2.2441 CC=CCOc1ccc2ccccc2c1 34a_100000185828_100000070051 [0,2,0,0,0,0|0,0,0]=2 6046 B16R2.2441 CC=CCOc1ccc2ccccc2c1 7a_100000185828_100000070051 [0,2,0,0,0,0|0,0,0]=2 6047 B16R2.2441 CC=CCOc1ccc2cccnc2c1 34a_100011216045_100000070051 [0,2,0,0,0,0|1,0,0]=3 6048 B16R2.2441 CC=CCOc1ccc2ccncc2c1 7a_100000752006_100000070051 [0,2,0,0,0,0|1,0,0]=3 6049 B16R2.2441 CC=CCOc1ccc2cnccc2c1 34a_100000046372_100000070051 [0,2,0,0,0,0|1,0,0]=3 6050 B16R2.2441 CC=CCOc1ccc2cnccc2c1 7a_100000046372_100000070051 [0,2,0,0,0,0|1,0,0]=3 6051 B16R2.2441 CC=CCOc1ccc2ncccc2c1 34a_100011215586_100000070051 [0,2,0,0,0,0|1,0,0]=3 6052 B16R2.2441 CC=CCOc1ccc2ncccc2c1 7a_100011215586_100000070051 [0,2,0,0,0,0|1,0,0]=3 6053 B16R2.2441 CC=CCOc1ccc2nccnc2c1 34a_100000694412_100000070051 [0,2,0,0,0,0|2,0,0]=4 6054 B16R2.2441 CC=CCOc1cnc2ccccc2c1 34a_100011934006_100000070051 [0,2,0,0,0,0|1,0,0]=3 6055 B16R2.2441 CC=CCOc1cnc2ccccc2c1 7a_100011934006_100000070051 [0,2,0,0,0,0|1,0,0]=3 6056 B16R2.2441 CC=CCSc1cc2ccccc2cn1 62a_100000070051_100000047361 [0,2,0,0,0,0|1,1,0]=4 6057 B16R2.2441 CC=CCSc1cc2ccccc2cn1 62a_100009816522_100000070051 [0,2,0,0,0,0|1,1,0]=4 6058 B16R2.2441 CC=CCSc1ccc2ccccc2c1 62a_100000070051_100000233703 [0,2,0,0,0,0|0,1,0]=3 6059 B16R2.2441 CC=CCSc1ccc2ccccc2n1 62a_100000070051_100011291633 [0,2,0,0,0,0|1,1,0]=4 6060 B16R2.2441 CC=CCSc1ccc2ccccc2n1 62a_100011291633_100000070051 [0,2,0,0,0,0|1,1,0]=4 6061 B16R2.2441 CC=CCSc1ccc2cccnc2c1 62a_100000070051_100009816655 [0,2,0,0,0,0|1,1,0]=4 6062 B16R2.2441 CC=CCSc1ccc2ccncc2c1 62a_100000070051_100000686496 [0,2,0,0,0,0|1,1,0]=4 6063 B16R2.2441 CC=CCSc1ccc2ccncc2c1 62a_100000686496_100000070051 [0,2,0,0,0,0|1,1,0]=4 6064 B16R2.2441 CC=CCSc1ccc2cnccc2c1 62a_100000070051_100009816743 [0,2,0,0,0,0|1,1,0]=4 6065 B16R2.2441 CC=CCSc1ccc2cnccc2c1 62a_100009816743_100000070051 [0,2,0,0,0,0|1,1,0]=4 6066 B16R2.2441 CC=CCSc1ccc2ncccc2c1 62a_100000070051_100011215947 [0,2,0,0,0,0|1,1,0]=4 6067 B16R2.2441 CC=CCSc1ccc2ncccc2c1 62a_100011215947_100000070051 [0,2,0,0,0,0|1,1,0]=4 6068 B16R2.2441 CC=CCSc1cnc2ccccc2c1 62a_100000070051_100000737414 [0,2,0,0,0,0|1,1,0]=4 6069 B16R2.2441 CCC=NNc1ccc2ccccc2c1 4a_100016987534_100000210100 [0,2,0,0,0,0|1,0,0]=3 6070 B16R2.2441 CCC=NNc1ccc2ccccc2n1 4a_100000212036_100000210100 [0,2,0,0,0,0|2,0,0]=4 6071 B16R2.2441 CCC=NNc1ccc2cccnc2c1 4a_200016991157_100000210100 [0,2,0,0,0,0|2,0,0]=4 6072 B16R2.2441 CCC=NNc1ccc2ncccc2c1 4a_100025741853_100000210100 [0,2,0,0,0,0|2,0,0]=4 6073 B16R2.2441 CCCC=Cc1cc2ccccc2cn1 271570a_100016258520_100000047361 [0,2,0,0,0,0|2,0,0]=4 6074 B16R2.2441 CCCC=Cc1ccc2ccccc2c1 271570a_100016258520_100000233703 [0,2,0,0,0,0|1,0,0]=3 6075 B16R2.2441 CCCC=Cc1ccc2ccccc2n1 271570a_100016258520_100011291633 [0,2,0,0,0,0|2,0,0]=4 6076 B16R2.2441 CCCC=Cc1ccc2cccnc2c1 271570a_100016258520_100009816655 [0,2,0,0,0,0|2,0,0]=4 6077 B16R2.2441 CCCC=Cc1ccc2ccncc2c1 271570a_100016258520_100000686496 [0,2,0,0,0,0|2,0,0]=4 6078 B16R2.2441 CCCC=Cc1ccc2cnccc2c1 271570a_100016258520_100009816743 [0,2,0,0,0,0|2,0,0]=4 6079 B16R2.2441 CCCC=Cc1ccc2ncccc2c1 271570a_100016258520_100000754243 [0,2,0,0,0,0|2,0,0]=4 6080 B16R2.2441 CCCC=Cc1cnc2ccccc2c1 271570a_100016258520_100000737414 [0,2,0,0,0,0|2,0,0]=4 6081 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [0,2,0,0,0,0|1,0,0]=3 6082 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [0,2,0,0,0,0|1,0,0]=3 6083 B16R2.2441 CCCCNc1ccc2ccccc2n1 27a_100000102301_100011291633 [0,2,0,0,0,0|2,0,0]=4 6084 B16R2.2441 CCCCNc1ccc2cccnc2c1 34a_100102887122_100000210210 [0,2,0,0,0,0|2,0,0]=4 6085 B16R2.2441 CCCCNc1ccc2cnccc2c1 34a_100000039641_100000210210 [0,2,0,0,0,0|2,0,0]=4 6086 B16R2.2441 CCCCNc1ccc2ncccc2c1 34a_100011198106_100000210210 [0,2,0,0,0,0|2,0,0]=4 6087 B16R2.2441 CCCCOc1ccc2ccccc2c1 34a_100000185828_100000210210 [0,2,0,0,0,0|0,0,0]=2 6088 B16R2.2441 CCCCOc1ccc2ccccc2c1 7a_100000185828_100000210211 [0,2,0,0,0,0|0,0,0]=2 6089 B16R2.2441 CCCCOc1ccc2cccnc2c1 34a_100011216045_100000210210 [0,2,0,0,0,0|1,0,0]=3 6090 B16R2.2441 CCCCOc1ccc2ccncc2c1 7a_100000752006_100000210211 [0,2,0,0,0,0|1,0,0]=3 6091 B16R2.2441 CCCCOc1ccc2cnccc2c1 34a_100000046372_100000210210 [0,2,0,0,0,0|1,0,0]=3 6092 B16R2.2441 CCCCOc1ccc2cnccc2c1 7a_100000046372_100000210211 [0,2,0,0,0,0|1,0,0]=3 6093 B16R2.2441 CCCCOc1ccc2ncccc2c1 34a_100011215586_100000210210 [0,2,0,0,0,0|1,0,0]=3 6094 B16R2.2441 CCCCOc1ccc2ncccc2c1 7a_100011215586_100000210211 [0,2,0,0,0,0|1,0,0]=3 6095 B16R2.2441 CCCCOc1ccc2nccnc2c1 34a_100000694412_100000210210 [0,2,0,0,0,0|2,0,0]=4 6096 B16R2.2441 CCCCOc1cnc2ccccc2c1 34a_100011934006_100000210210 [0,2,0,0,0,0|1,0,0]=3 6097 B16R2.2441 CCCCOc1cnc2ccccc2c1 7a_100011934006_100000210211 [0,2,0,0,0,0|1,0,0]=3 6098 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100000210211_100000047361 [0,2,0,0,0,0|1,1,0]=4 6099 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100009816522_100000210210 [0,2,0,0,0,0|1,1,0]=4 6100 B16R2.2441 CCCCSc1ccc2ccccc2c1 62a_100000210211_100000233703 [0,2,0,0,0,0|0,1,0]=3 6101 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100000210211_100011291633 [0,2,0,0,0,0|1,1,0]=4 6102 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100011291633_100000210210 [0,2,0,0,0,0|1,1,0]=4 6103 B16R2.2441 CCCCSc1ccc2cccnc2c1 62a_100000210211_100009816655 [0,2,0,0,0,0|1,1,0]=4 6104 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000210211_100000686496 [0,2,0,0,0,0|1,1,0]=4 6105 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000686496_100000210210 [0,2,0,0,0,0|1,1,0]=4 6106 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100000210211_100009816743 [0,2,0,0,0,0|1,1,0]=4 6107 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100009816743_100000210210 [0,2,0,0,0,0|1,1,0]=4 6108 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100000210211_100011215947 [0,2,0,0,0,0|1,1,0]=4 6109 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100011215947_100000210210 [0,2,0,0,0,0|1,1,0]=4 6110 B16R2.2441 CCCCSc1cnc2ccccc2c1 62a_100000210211_100000737414 [0,2,0,0,0,0|1,1,0]=4 6111 B16R2.2441 CCCNCc1cc2ccccc2cn1 207a_100020643023_100000059776 [0,2,0,0,0,0|2,0,0]=4 6112 B16R2.2441 CCCNCc1cc2ccccc2cn1 270004a_100020643023_100000059776 [0,2,0,0,0,0|2,0,0]=4 6113 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [0,2,0,0,0,0|1,0,0]=3 6114 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [0,2,0,0,0,0|1,0,0]=3 6115 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [0,2,0,0,0,0|1,0,0]=3 6116 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [0,2,0,0,0,0|1,0,0]=3 6117 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [0,2,0,0,0,0|2,0,0]=4 6118 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [0,2,0,0,0,0|2,0,0]=4 6119 B16R2.2441 CCCNCc1ccc2cccnc2c1 207a_100020643023_100011784159 [0,2,0,0,0,0|2,0,0]=4 6120 B16R2.2441 CCCNCc1ccc2cccnc2c1 270004a_100020643023_100011784159 [0,2,0,0,0,0|2,0,0]=4 6121 B16R2.2441 CCCNCc1ccc2cnccc2c1 207a_100020643023_100000068276 [0,2,0,0,0,0|2,0,0]=4 6122 B16R2.2441 CCCNCc1ccc2cnccc2c1 270004a_100020643023_100000068276 [0,2,0,0,0,0|2,0,0]=4 6123 B16R2.2441 CCCNCc1ccc2ncccc2c1 207a_100020643023_100000211315 [0,2,0,0,0,0|2,0,0]=4 6124 B16R2.2441 CCCNCc1ccc2ncccc2c1 270004a_100020643023_100000211315 [0,2,0,0,0,0|2,0,0]=4 6125 B16R2.2441 CCCNCc1ccc2ncccc2c1 34a_100000238500_100000210303 [0,2,0,0,0,0|2,0,0]=4 6126 B16R2.2441 CCCNCc1cnc2ccccc2c1 207a_100020643023_100000750898 [0,2,0,0,0,0|2,0,0]=4 6127 B16R2.2441 CCCNCc1cnc2ccccc2c1 270004a_100020643023_100000750898 [0,2,0,0,0,0|2,0,0]=4 6128 B16R2.2441 CCCNCc1cnc2ccccc2c1 34a_100000742225_100000210303 [0,2,0,0,0,0|2,0,0]=4 6129 B16R2.2441 CCCOCc1cc2ccccc2cn1 34a_100000210258_100009869231 [0,2,0,0,0,0|1,0,0]=3 6130 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [0,2,0,0,0,0|0,0,0]=2 6131 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [0,2,0,0,0,0|0,0,0]=2 6132 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [0,2,0,0,0,0|0,0,0]=2 6133 B16R2.2441 CCCOCc1ccc2ccccc2n1 34a_100000210258_100000737579 [0,2,0,0,0,0|1,0,0]=3 6134 B16R2.2441 CCCOCc1ccc2cnccc2c1 34a_100000210258_100020605334 [0,2,0,0,0,0|1,0,0]=3 6135 B16R2.2441 CCCOCc1ccc2ncccc2c1 34a_100000210258_100000703657 [0,2,0,0,0,0|1,0,0]=3 6136 B16R2.2441 CCCOCc1ccc2ncccc2c1 34a_100011315636_100000210303 [0,2,0,0,0,0|1,0,0]=3 6137 B16R2.2441 CCCOCc1cnc2ccccc2c1 34a_100011258773_100000210303 [0,2,0,0,0,0|1,0,0]=3 6138 B16R2.2441 CCCOCc1ncc2ccccc2n1 34a_100000210258_100009868571 [0,2,0,0,0,0|2,0,0]=4 6139 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100000210303_100009869231 [0,2,0,0,0,0|1,1,0]=4 6140 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100009869231_100000210303 [0,2,0,0,0,0|1,1,0]=4 6141 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [0,2,0,0,0,0|0,1,0]=3 6142 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [0,2,0,0,0,0|0,1,0]=3 6143 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000210303_100000737579 [0,2,0,0,0,0|1,1,0]=4 6144 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000737579_100000210303 [0,2,0,0,0,0|1,1,0]=4 6145 B16R2.2441 CCCSCc1ccc2cnccc2c1 62a_100000210303_100020605334 [0,2,0,0,0,0|1,1,0]=4 6146 B16R2.2441 CCCSCc1ccc2cnccc2c1 62a_100020605334_100000210303 [0,2,0,0,0,0|1,1,0]=4 6147 B16R2.2441 CCCSCc1ccc2ncccc2c1 62a_100000210303_100000703657 [0,2,0,0,0,0|1,1,0]=4 6148 B16R2.2441 CCCSCc1ccc2ncccc2c1 62a_100000703657_100000210303 [0,2,0,0,0,0|1,1,0]=4 6149 B16R2.2441 CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210202 [0,2,0,0,0,0|1,0,0]=3 6150 B16R2.2441 CCNCCc1ccc2ccccc2c1 34a_100000746582_100000210202 [0,2,0,0,0,0|1,0,0]=3 6151 B16R2.2441 CCNN=Cc1cc2ccccc2cn1 4a_100000756455_100000059776 [0,2,0,0,0,0|2,0,0]=4 6152 B16R2.2441 CCNN=Cc1ccc2ccccc2c1 4a_100000756455_100000211584 [0,2,0,0,0,0|1,0,0]=3 6153 B16R2.2441 CCNN=Cc1ccc2ccccc2n1 4a_100000756455_100000759686 [0,2,0,0,0,0|2,0,0]=4 6154 B16R2.2441 CCNN=Cc1ccc2cccnc2c1 4a_100000756455_100011784159 [0,2,0,0,0,0|2,0,0]=4 6155 B16R2.2441 CCNN=Cc1ccc2cnccc2c1 4a_100000756455_100000068276 [0,2,0,0,0,0|2,0,0]=4 6156 B16R2.2441 CCNN=Cc1ccc2ncccc2c1 4a_100000756455_100000211315 [0,2,0,0,0,0|2,0,0]=4 6157 B16R2.2441 CCNN=Cc1cnc2ccccc2c1 4a_100000756455_100000750898 [0,2,0,0,0,0|2,0,0]=4 6158 B16R2.2441 CCOC=Cc1cc2ccccc2cn1 271570a_100016256518_100000047361 [0,2,0,0,0,0|1,0,0]=3 6159 B16R2.2441 CCOC=Cc1ccc2ccccc2c1 271570a_100016256518_100000233703 [0,2,0,0,0,0|0,0,0]=2 6160 B16R2.2441 CCOC=Cc1ccc2ccccc2n1 271570a_100016256518_100011291633 [0,2,0,0,0,0|1,0,0]=3 6161 B16R2.2441 CCOC=Cc1ccc2cccnc2c1 271570a_100016256518_100009816655 [0,2,0,0,0,0|1,0,0]=3 6162 B16R2.2441 CCOC=Cc1ccc2cccnc2n1 271570a_100016256518_100009888989 [0,2,0,0,0,0|2,0,0]=4 6163 B16R2.2441 CCOC=Cc1ccc2ccncc2c1 271570a_100016256518_100000686496 [0,2,0,0,0,0|1,0,0]=3 6164 B16R2.2441 CCOC=Cc1ccc2ccncc2n1 271570a_100016256518_100000020162 [0,2,0,0,0,0|2,0,0]=4 6165 B16R2.2441 CCOC=Cc1ccc2cnccc2c1 271570a_100016256518_100009816743 [0,2,0,0,0,0|1,0,0]=3 6166 B16R2.2441 CCOC=Cc1ccc2cncnc2c1 271570a_100016256518_100010185614 [0,2,0,0,0,0|2,0,0]=4 6167 B16R2.2441 CCOC=Cc1ccc2cnncc2c1 271570a_100016256518_100010198781 [0,2,0,0,0,0|2,0,0]=4 6168 B16R2.2441 CCOC=Cc1ccc2ncccc2c1 271570a_100016256518_100000754243 [0,2,0,0,0,0|1,0,0]=3 6169 B16R2.2441 CCOC=Cc1ccc2ncccc2n1 271570a_100016256518_100000073381 [0,2,0,0,0,0|2,0,0]=4 6170 B16R2.2441 CCOC=Cc1ccc2nccnc2c1 271570a_100016256518_100011219451 [0,2,0,0,0,0|2,0,0]=4 6171 B16R2.2441 CCOC=Cc1ccc2ncncc2c1 271570a_100016256518_100009989443 [0,2,0,0,0,0|2,0,0]=4 6172 B16R2.2441 CCOC=Cc1ccc2nnccc2c1 271570a_100016256518_100010209549 [0,2,0,0,0,0|2,0,0]=4 6173 B16R2.2441 CCOC=Cc1cnc2ccccc2c1 271570a_100016256518_100000737414 [0,2,0,0,0,0|1,0,0]=3 6174 B16R2.2441 CCOC=Cc1cnc2ccccc2n1 271570a_100016256518_100000756483 [0,2,0,0,0,0|2,0,0]=4 6175 B16R2.2441 CCOC=Cc1cnc2cccnc2c1 271570a_100016256518_100010246316 [0,2,0,0,0,0|2,0,0]=4 6176 B16R2.2441 CCOC=Cc1ncc2ccccc2n1 271570a_100016256518_100000097389 [0,2,0,0,0,0|2,0,0]=4 6177 B16R2.2441 CCOCCc1ccc2ccccc2c1 34a_100000755654_100000210202 [0,2,0,0,0,0|0,0,0]=2 6178 B16R2.2441 CCOCCc1ccc2ccccc2c1 7a_100000755654_100000210202 [0,2,0,0,0,0|0,0,0]=2 6179 B16R2.2441 CCOCCc1ccc2ccccc2n1 34a_100011996444_100000210202 [0,2,0,0,0,0|1,0,0]=3 6180 B16R2.2441 CCOCSc1cc2ccccc2cn1 62a_100000739092_100000047361 [0,2,0,0,0,0|1,0,0]=3 6181 B16R2.2441 CCOCSc1cc2ccccc2cn1 62a_100009816522_100000739092 [0,2,0,0,0,0|1,0,0]=3 6182 B16R2.2441 CCOCSc1ccc2ccccc2c1 62a_100000739092_100000233703 [0,2,0,0,0,0|0,0,0]=2 6183 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100000739092_100011291633 [0,2,0,0,0,0|1,0,0]=3 6184 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100011291633_100000739092 [0,2,0,0,0,0|1,0,0]=3 6185 B16R2.2441 CCOCSc1ccc2cccnc2c1 62a_100000739092_100009816655 [0,2,0,0,0,0|1,0,0]=3 6186 B16R2.2441 CCOCSc1ccc2cccnc2n1 62a_100000075685_100000739092 [0,2,0,0,0,0|2,0,0]=4 6187 B16R2.2441 CCOCSc1ccc2cccnc2n1 62a_100000739092_100000075685 [0,2,0,0,0,0|2,0,0]=4 6188 B16R2.2441 CCOCSc1ccc2ccncc2c1 62a_100000686496_100000739092 [0,2,0,0,0,0|1,0,0]=3 6189 B16R2.2441 CCOCSc1ccc2ccncc2c1 62a_100000739092_100000686496 [0,2,0,0,0,0|1,0,0]=3 6190 B16R2.2441 CCOCSc1ccc2ccncc2n1 62a_100000739092_100000020162 [0,2,0,0,0,0|2,0,0]=4 6191 B16R2.2441 CCOCSc1ccc2cnccc2c1 62a_100000739092_100009816743 [0,2,0,0,0,0|1,0,0]=3 6192 B16R2.2441 CCOCSc1ccc2cnccc2c1 62a_100009816743_100000739092 [0,2,0,0,0,0|1,0,0]=3 6193 B16R2.2441 CCOCSc1ccc2cncnc2c1 62a_100000739092_100010185614 [0,2,0,0,0,0|2,0,0]=4 6194 B16R2.2441 CCOCSc1ccc2cncnc2c1 62a_100010185614_100000739092 [0,2,0,0,0,0|2,0,0]=4 6195 B16R2.2441 CCOCSc1ccc2cnncc2c1 62a_100000739092_100010198781 [0,2,0,0,0,0|2,0,0]=4 6196 B16R2.2441 CCOCSc1ccc2cnncc2c1 62a_100010198781_100000739092 [0,2,0,0,0,0|2,0,0]=4 6197 B16R2.2441 CCOCSc1ccc2ncccc2c1 62a_100000739092_100011215947 [0,2,0,0,0,0|1,0,0]=3 6198 B16R2.2441 CCOCSc1ccc2ncccc2c1 62a_100011215947_100000739092 [0,2,0,0,0,0|1,0,0]=3 6199 B16R2.2441 CCOCSc1ccc2ncccc2n1 62a_100000739092_100000073381 [0,2,0,0,0,0|2,0,0]=4 6200 B16R2.2441 CCOCSc1ccc2nccnc2c1 62a_100000739092_100011219451 [0,2,0,0,0,0|2,0,0]=4 6201 B16R2.2441 CCOCSc1ccc2nccnc2c1 62a_100011219451_100000739092 [0,2,0,0,0,0|2,0,0]=4 6202 B16R2.2441 CCOCSc1ccc2ncncc2c1 62a_100000739092_100009989443 [0,2,0,0,0,0|2,0,0]=4 6203 B16R2.2441 CCOCSc1ccc2ncncc2c1 62a_100009989443_100000739092 [0,2,0,0,0,0|2,0,0]=4 6204 B16R2.2441 CCOCSc1ccc2nnccc2c1 62a_100000739092_100010209549 [0,2,0,0,0,0|2,0,0]=4 6205 B16R2.2441 CCOCSc1ccc2nnccc2c1 62a_100010209549_100000739092 [0,2,0,0,0,0|2,0,0]=4 6206 B16R2.2441 CCOCSc1cnc2ccccc2c1 62a_100000739092_100000737414 [0,2,0,0,0,0|1,0,0]=3 6207 B16R2.2441 CCOCSc1cnc2ccccc2n1 62a_100000739092_100000756483 [0,2,0,0,0,0|2,0,0]=4 6208 B16R2.2441 CCOCSc1cnc2ccccc2n1 62a_100000756483_100000739092 [0,2,0,0,0,0|2,0,0]=4 6209 B16R2.2441 CCOCSc1cnc2cccnc2c1 62a_100000739092_100010246316 [0,2,0,0,0,0|2,0,0]=4 6210 B16R2.2441 CCOCSc1cnc2cccnc2c1 62a_100010246316_100000739092 [0,2,0,0,0,0|2,0,0]=4 6211 B16R2.2441 CCOCSc1ncc2ccccc2n1 62a_100000739092_100000097389 [0,2,0,0,0,0|2,0,0]=4 6212 B16R2.2441 COCC=Cc1cc2ccccc2cn1 271570a_100016286323_100000047361 [0,2,0,0,0,0|2,0,0]=4 6213 B16R2.2441 COCC=Cc1ccc2ccccc2c1 271570a_100016286323_100000233703 [0,2,0,0,0,0|1,0,0]=3 6214 B16R2.2441 COCC=Cc1ccc2ccccc2n1 271570a_100016286323_100011291633 [0,2,0,0,0,0|2,0,0]=4 6215 B16R2.2441 COCC=Cc1ccc2cccnc2c1 271570a_100016286323_100009816655 [0,2,0,0,0,0|2,0,0]=4 6216 B16R2.2441 COCC=Cc1ccc2ccncc2c1 271570a_100016286323_100000686496 [0,2,0,0,0,0|2,0,0]=4 6217 B16R2.2441 COCC=Cc1ccc2cnccc2c1 271570a_100016286323_100009816743 [0,2,0,0,0,0|2,0,0]=4 6218 B16R2.2441 COCC=Cc1ccc2ncccc2c1 271570a_100016286323_100000754243 [0,2,0,0,0,0|2,0,0]=4 6219 B16R2.2441 COCC=Cc1cnc2ccccc2c1 271570a_100016286323_100000737414 [0,2,0,0,0,0|2,0,0]=4 6220 B16R2.2441 COCCNc1ccc2ccccc2c1 34a_100000211940_100011201679 [0,2,0,0,0,0|1,0,0]=3 6221 B16R2.2441 COCCNc1ccc2ccccc2c1 7a_100000211940_100000233755 [0,2,0,0,0,0|1,0,0]=3 6222 B16R2.2441 COCCNc1ccc2ccccc2n1 27a_100000209980_100011291633 [0,2,0,0,0,0|2,0,0]=4 6223 B16R2.2441 COCCNc1ccc2cccnc2c1 34a_100102887122_100011201679 [0,2,0,0,0,0|2,0,0]=4 6224 B16R2.2441 COCCNc1ccc2cnccc2c1 34a_100000039641_100011201679 [0,2,0,0,0,0|2,0,0]=4 6225 B16R2.2441 COCCNc1ccc2ncccc2c1 34a_100011198106_100011201679 [0,2,0,0,0,0|2,0,0]=4 6226 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_100000185828_100011201679 [0,2,0,0,0,0|0,0,0]=2 6227 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_200011219602_200000210301 [0,2,0,0,0,0|0,0,0]=2 6228 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_100000185828_100000233755 [0,2,0,0,0,0|0,0,0]=2 6229 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_200011219602_200000210301 [0,2,0,0,0,0|0,0,0]=2 6230 B16R2.2441 COCCOc1ccc2cccnc2c1 34a_100011216045_100011201679 [0,2,0,0,0,0|1,0,0]=3 6231 B16R2.2441 COCCOc1ccc2ccncc2c1 7a_100000752006_100000233755 [0,2,0,0,0,0|1,0,0]=3 6232 B16R2.2441 COCCOc1ccc2cnccc2c1 34a_100000046372_100011201679 [0,2,0,0,0,0|1,0,0]=3 6233 B16R2.2441 COCCOc1ccc2cnccc2c1 7a_100000046372_100000233755 [0,2,0,0,0,0|1,0,0]=3 6234 B16R2.2441 COCCOc1ccc2ncccc2c1 34a_100011215586_100011201679 [0,2,0,0,0,0|1,0,0]=3 6235 B16R2.2441 COCCOc1ccc2ncccc2c1 7a_100011215586_100000233755 [0,2,0,0,0,0|1,0,0]=3 6236 B16R2.2441 COCCOc1ccc2nccnc2c1 34a_100000694412_100011201679 [0,2,0,0,0,0|2,0,0]=4 6237 B16R2.2441 COCCOc1cnc2ccccc2c1 34a_100011934006_100011201679 [0,2,0,0,0,0|1,0,0]=3 6238 B16R2.2441 COCCOc1cnc2ccccc2c1 7a_100011934006_100000233755 [0,2,0,0,0,0|1,0,0]=3 6239 B16R2.2441 COCCSc1cc2ccccc2cn1 62a_100000233755_100000047361 [0,2,0,0,0,0|1,1,0]=4 6240 B16R2.2441 COCCSc1cc2ccccc2cn1 62a_100009816522_100000233755 [0,2,0,0,0,0|1,1,0]=4 6241 B16R2.2441 COCCSc1ccc2ccccc2c1 62a_100000233755_100000233703 [0,2,0,0,0,0|0,1,0]=3 6242 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100000233755_100011291633 [0,2,0,0,0,0|1,1,0]=4 6243 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100011291633_100000233755 [0,2,0,0,0,0|1,1,0]=4 6244 B16R2.2441 COCCSc1ccc2cccnc2c1 62a_100000233755_100009816655 [0,2,0,0,0,0|1,1,0]=4 6245 B16R2.2441 COCCSc1ccc2ccncc2c1 62a_100000233755_100000686496 [0,2,0,0,0,0|1,1,0]=4 6246 B16R2.2441 COCCSc1ccc2ccncc2c1 62a_100000686496_100000233755 [0,2,0,0,0,0|1,1,0]=4 6247 B16R2.2441 COCCSc1ccc2cnccc2c1 62a_100000233755_100009816743 [0,2,0,0,0,0|1,1,0]=4 6248 B16R2.2441 COCCSc1ccc2cnccc2c1 62a_100009816743_100000233755 [0,2,0,0,0,0|1,1,0]=4 6249 B16R2.2441 COCCSc1ccc2ncccc2c1 62a_100000233755_100011215947 [0,2,0,0,0,0|1,1,0]=4 6250 B16R2.2441 COCCSc1ccc2ncccc2c1 62a_100011215947_100000233755 [0,2,0,0,0,0|1,1,0]=4 6251 B16R2.2441 COCCSc1cnc2ccccc2c1 62a_100000233755_100000737414 [0,2,0,0,0,0|1,1,0]=4 6252 B16R2.2441 COCNCc1ccc2ccccc2c1 2230a_100000739491_100000766300 [0,2,0,0,0,0|1,0,0]=3 6253 B16R2.2441 COCSCc1cc2ccccc2cn1 62a_100000766300_100009869231 [0,2,0,0,0,0|1,1,0]=4 6254 B16R2.2441 COCSCc1cc2ccccc2cn1 62a_100009869231_100000766300 [0,2,0,0,0,0|1,1,0]=4 6255 B16R2.2441 COCSCc1ccc2ccccc2c1 62a_100000766300_100011216711 [0,2,0,0,0,0|0,1,0]=3 6256 B16R2.2441 COCSCc1ccc2ccccc2c1 62a_100011216711_100000766300 [0,2,0,0,0,0|0,1,0]=3 6257 B16R2.2441 COCSCc1ccc2ccccc2n1 62a_100000737579_100000766300 [0,2,0,0,0,0|1,1,0]=4 6258 B16R2.2441 COCSCc1ccc2ccccc2n1 62a_100000766300_100000737579 [0,2,0,0,0,0|1,1,0]=4 6259 B16R2.2441 COCSCc1ccc2cnccc2c1 62a_100000766300_100020605334 [0,2,0,0,0,0|1,1,0]=4 6260 B16R2.2441 COCSCc1ccc2cnccc2c1 62a_100020605334_100000766300 [0,2,0,0,0,0|1,1,0]=4 6261 B16R2.2441 COCSCc1ccc2ncccc2c1 62a_100000703657_100000766300 [0,2,0,0,0,0|1,1,0]=4 6262 B16R2.2441 COCSCc1ccc2ncccc2c1 62a_100000766300_100000703657 [0,2,0,0,0,0|1,1,0]=4 6263 B16R2.2441 CSCCNc1ccc2ccccc2c1 34a_100000211940_100000212216 [0,2,0,0,0,0|1,0,0]=3 6264 B16R2.2441 CSCCNc1ccc2ccccc2c1 7a_100000211940_100000212216 [0,2,0,0,0,0|1,0,0]=3 6265 B16R2.2441 CSCCNc1ccc2ccccc2n1 27a_100020590264_100011291633 [0,2,0,0,0,0|2,0,0]=4 6266 B16R2.2441 CSCCNc1ccc2cccnc2c1 34a_100102887122_100000212216 [0,2,0,0,0,0|2,0,0]=4 6267 B16R2.2441 CSCCNc1ccc2cnccc2c1 34a_100000039641_100000212216 [0,2,0,0,0,0|2,0,0]=4 6268 B16R2.2441 CSCCNc1ccc2ncccc2c1 34a_100011198106_100000212216 [0,2,0,0,0,0|2,0,0]=4 6269 B16R2.2441 CSCCOc1ccc2ccccc2c1 34a_100000185828_100000212216 [0,2,0,0,0,0|0,0,0]=2 6270 B16R2.2441 CSCCOc1ccc2ccccc2c1 7a_100000185828_100000212216 [0,2,0,0,0,0|0,0,0]=2 6271 B16R2.2441 CSCCOc1ccc2cccnc2c1 34a_100011216045_100000212216 [0,2,0,0,0,0|1,0,0]=3 6272 B16R2.2441 CSCCOc1ccc2ccncc2c1 7a_100000752006_100000212216 [0,2,0,0,0,0|1,0,0]=3 6273 B16R2.2441 CSCCOc1ccc2cnccc2c1 34a_100000046372_100000212216 [0,2,0,0,0,0|1,0,0]=3 6274 B16R2.2441 CSCCOc1ccc2cnccc2c1 7a_100000046372_100000212216 [0,2,0,0,0,0|1,0,0]=3 6275 B16R2.2441 CSCCOc1ccc2ncccc2c1 34a_100011215586_100000212216 [0,2,0,0,0,0|1,0,0]=3 6276 B16R2.2441 CSCCOc1ccc2ncccc2c1 7a_100011215586_100000212216 [0,2,0,0,0,0|1,0,0]=3 6277 B16R2.2441 CSCCOc1ccc2nccnc2c1 34a_100000694412_100000212216 [0,2,0,0,0,0|2,0,0]=4 6278 B16R2.2441 CSCCOc1cnc2ccccc2c1 34a_100011934006_100000212216 [0,2,0,0,0,0|1,0,0]=3 6279 B16R2.2441 CSCCOc1cnc2ccccc2c1 7a_100011934006_100000212216 [0,2,0,0,0,0|1,0,0]=3 6280 B16R2.2441 CSCCSc1cc2ccccc2cn1 62a_100000212216_100000047361 [0,2,0,0,0,0|1,1,0]=4 6281 B16R2.2441 CSCCSc1cc2ccccc2cn1 62a_100009816522_100000751147 [0,2,0,0,0,0|1,1,0]=4 6282 B16R2.2441 CSCCSc1ccc2ccccc2c1 62a_100000212216_100000233703 [0,2,0,0,0,0|0,1,0]=3 6283 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100000212216_100011291633 [0,2,0,0,0,0|1,1,0]=4 6284 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100011291633_100000751147 [0,2,0,0,0,0|1,1,0]=4 6285 B16R2.2441 CSCCSc1ccc2cccnc2c1 62a_100000212216_100009816655 [0,2,0,0,0,0|1,1,0]=4 6286 B16R2.2441 CSCCSc1ccc2ccncc2c1 62a_100000212216_100000686496 [0,2,0,0,0,0|1,1,0]=4 6287 B16R2.2441 CSCCSc1ccc2ccncc2c1 62a_100000686496_100000751147 [0,2,0,0,0,0|1,1,0]=4 6288 B16R2.2441 CSCCSc1ccc2cnccc2c1 62a_100000212216_100009816743 [0,2,0,0,0,0|1,1,0]=4 6289 B16R2.2441 CSCCSc1ccc2cnccc2c1 62a_100009816743_100000751147 [0,2,0,0,0,0|1,1,0]=4 6290 B16R2.2441 CSCCSc1ccc2ncccc2c1 62a_100000212216_100011215947 [0,2,0,0,0,0|1,1,0]=4 6291 B16R2.2441 CSCCSc1ccc2ncccc2c1 62a_100011215947_100000751147 [0,2,0,0,0,0|1,1,0]=4 6292 B16R2.2441 CSCCSc1cnc2ccccc2c1 62a_100000212216_100000737414 [0,2,0,0,0,0|1,1,0]=4 6293 B16R2.2441 CSCNCc1ccc2ccccc2c1 2230a_100000739491_100011218213 [0,2,0,0,0,0|1,0,0]=3 6294 B16R2.2441 CSCNCc1ccc2ccccc2c1 34a_100000739491_100011218213 [0,2,0,0,0,0|1,0,0]=3 6295 B16R2.2441 CSCNCc1ccc2ncccc2c1 34a_100000238500_100011218213 [0,2,0,0,0,0|2,0,0]=4 6296 B16R2.2441 CSCNCc1cnc2ccccc2c1 34a_100000742225_100011218213 [0,2,0,0,0,0|2,0,0]=4 6297 B16R2.2441 CSCOCc1ccc2ccccc2c1 34a_100011215330_100011218213 [0,2,0,0,0,0|0,0,0]=2 6298 B16R2.2441 CSCOCc1ccc2ncccc2c1 34a_100011315636_100011218213 [0,2,0,0,0,0|1,0,0]=3 6299 B16R2.2441 CSCOCc1cnc2ccccc2c1 34a_100011258773_100011218213 [0,2,0,0,0,0|1,0,0]=3 6300 B16R2.2441 CSCSCc1cc2ccccc2cn1 62a_100009869231_100011218213 [0,2,0,0,0,0|1,1,0]=4 6301 B16R2.2441 CSCSCc1cc2ccccc2cn1 62a_100011218213_100009869231 [0,2,0,0,0,0|1,1,0]=4 6302 B16R2.2441 CSCSCc1ccc2ccccc2c1 62a_100011216711_100011218213 [0,2,0,0,0,0|0,1,0]=3 6303 B16R2.2441 CSCSCc1ccc2ccccc2c1 62a_100011218213_100011216711 [0,2,0,0,0,0|0,1,0]=3 6304 B16R2.2441 CSCSCc1ccc2ccccc2n1 62a_100000737579_100011218213 [0,2,0,0,0,0|1,1,0]=4 6305 B16R2.2441 CSCSCc1ccc2ccccc2n1 62a_100011218213_100000737579 [0,2,0,0,0,0|1,1,0]=4 6306 B16R2.2441 CSCSCc1ccc2cnccc2c1 62a_100011218213_100020605334 [0,2,0,0,0,0|1,1,0]=4 6307 B16R2.2441 CSCSCc1ccc2cnccc2c1 62a_100020605334_100011218213 [0,2,0,0,0,0|1,1,0]=4 6308 B16R2.2441 CSCSCc1ccc2ncccc2c1 62a_100000703657_100011218213 [0,2,0,0,0,0|1,1,0]=4 6309 B16R2.2441 CSCSCc1ccc2ncccc2c1 62a_100011218213_100000703657 [0,2,0,0,0,0|1,1,0]=4 6310 B16R2.2441 FCCCNc1ccc2ccccc2c1 34a_100000211940_100011934791 [0,2,0,0,0,0|1,0,0]=3 6311 B16R2.2441 FCCCNc1ccc2ccccc2c1 7a_100000211940_100011934791 [0,2,0,0,0,0|1,0,0]=3 6312 B16R2.2441 FCCCNc1ccc2ccccc2n1 27a_100015189416_100011291633 [0,2,0,0,0,0|2,0,0]=4 6313 B16R2.2441 FCCCNc1ccc2cccnc2c1 34a_100102887122_100011934791 [0,2,0,0,0,0|2,0,0]=4 6314 B16R2.2441 FCCCNc1ccc2cnccc2c1 34a_100000039641_100011934791 [0,2,0,0,0,0|2,0,0]=4 6315 B16R2.2441 FCCCNc1ccc2ncccc2c1 34a_100011198106_100011934791 [0,2,0,0,0,0|2,0,0]=4 6316 B16R2.2441 FCCCOc1ccc2ccccc2c1 34a_100000185828_100011934791 [0,2,0,0,0,0|0,0,0]=2 6317 B16R2.2441 FCCCOc1ccc2ccccc2c1 7a_100000185828_100011934791 [0,2,0,0,0,0|0,0,0]=2 6318 B16R2.2441 FCCCOc1ccc2cccnc2c1 34a_100011216045_100011934791 [0,2,0,0,0,0|1,0,0]=3 6319 B16R2.2441 FCCCOc1ccc2ccncc2c1 7a_100000752006_100011934791 [0,2,0,0,0,0|1,0,0]=3 6320 B16R2.2441 FCCCOc1ccc2cnccc2c1 34a_100000046372_100011934791 [0,2,0,0,0,0|1,0,0]=3 6321 B16R2.2441 FCCCOc1ccc2cnccc2c1 7a_100000046372_100011934791 [0,2,0,0,0,0|1,0,0]=3 6322 B16R2.2441 FCCCOc1ccc2ncccc2c1 34a_100011215586_100011934791 [0,2,0,0,0,0|1,0,0]=3 6323 B16R2.2441 FCCCOc1ccc2ncccc2c1 7a_100011215586_100011934791 [0,2,0,0,0,0|1,0,0]=3 6324 B16R2.2441 FCCCOc1ccc2nccnc2c1 34a_100000694412_100011934791 [0,2,0,0,0,0|2,0,0]=4 6325 B16R2.2441 FCCCOc1cnc2ccccc2c1 34a_100011934006_100011934791 [0,2,0,0,0,0|1,0,0]=3 6326 B16R2.2441 FCCCOc1cnc2ccccc2c1 7a_100011934006_100011934791 [0,2,0,0,0,0|1,0,0]=3 6327 B16R2.2441 FCCCSc1cc2ccccc2cn1 62a_100009816522_100011934791 [0,2,0,0,0,0|1,1,0]=4 6328 B16R2.2441 FCCCSc1cc2ccccc2cn1 62a_100011934791_100000047361 [0,2,0,0,0,0|1,1,0]=4 6329 B16R2.2441 FCCCSc1ccc2ccccc2c1 62a_100011934791_100000233703 [0,2,0,0,0,0|0,1,0]=3 6330 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011291633_100011934791 [0,2,0,0,0,0|1,1,0]=4 6331 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011934791_100011291633 [0,2,0,0,0,0|1,1,0]=4 6332 B16R2.2441 FCCCSc1ccc2cccnc2c1 62a_100011934791_100009816655 [0,2,0,0,0,0|1,1,0]=4 6333 B16R2.2441 FCCCSc1ccc2ccncc2c1 62a_100000686496_100011934791 [0,2,0,0,0,0|1,1,0]=4 6334 B16R2.2441 FCCCSc1ccc2ccncc2c1 62a_100011934791_100000686496 [0,2,0,0,0,0|1,1,0]=4 6335 B16R2.2441 FCCCSc1ccc2cnccc2c1 62a_100009816743_100011934791 [0,2,0,0,0,0|1,1,0]=4 6336 B16R2.2441 FCCCSc1ccc2cnccc2c1 62a_100011934791_100009816743 [0,2,0,0,0,0|1,1,0]=4 6337 B16R2.2441 FCCCSc1ccc2ncccc2c1 62a_100011215947_100011934791 [0,2,0,0,0,0|1,1,0]=4 6338 B16R2.2441 FCCCSc1ccc2ncccc2c1 62a_100011934791_100011215947 [0,2,0,0,0,0|1,1,0]=4 6339 B16R2.2441 FCCCSc1cnc2ccccc2c1 62a_100011934791_100000737414 [0,2,0,0,0,0|1,1,0]=4 6340 B16R2.2441 FCCNCc1cc2ccccc2cn1 34a_100000724931_100009869231 [0,2,0,0,0,0|2,0,0]=4 6341 B16R2.2441 FCCNCc1ccc2ccccc2c1 2230a_100000739491_100011217306 [0,2,0,0,0,0|1,0,0]=3 6342 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000724931_100011216711 [0,2,0,0,0,0|1,0,0]=3 6343 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000739491_100011217306 [0,2,0,0,0,0|1,0,0]=3 6344 B16R2.2441 FCCNCc1ccc2ccccc2n1 34a_100000724931_100000737579 [0,2,0,0,0,0|2,0,0]=4 6345 B16R2.2441 FCCNCc1ccc2cnccc2c1 34a_100000724931_100020605334 [0,2,0,0,0,0|2,0,0]=4 6346 B16R2.2441 FCCNCc1ccc2ncccc2c1 34a_100000238500_100011217306 [0,2,0,0,0,0|2,0,0]=4 6347 B16R2.2441 FCCNCc1ccc2ncccc2c1 34a_100000724931_100000703657 [0,2,0,0,0,0|2,0,0]=4 6348 B16R2.2441 FCCNCc1cnc2ccccc2c1 34a_100000742225_100011217306 [0,2,0,0,0,0|2,0,0]=4 6349 B16R2.2441 FCCOCc1ccc2ccccc2c1 34a_100011215330_100011217306 [0,2,0,0,0,0|0,0,0]=2 6350 B16R2.2441 FCCOCc1ccc2ccccc2c1 7a_100011215330_100011217306 [0,2,0,0,0,0|0,0,0]=2 6351 B16R2.2441 FCCOCc1ccc2ncccc2c1 34a_100011315636_100011217306 [0,2,0,0,0,0|1,0,0]=3 6352 B16R2.2441 FCCOCc1cnc2ccccc2c1 34a_100011258773_100011217306 [0,2,0,0,0,0|1,0,0]=3 6353 B16R2.2441 FCCSCc1cc2ccccc2cn1 62a_100009869231_100011217306 [0,2,0,0,0,0|1,1,0]=4 6354 B16R2.2441 FCCSCc1cc2ccccc2cn1 62a_100011217306_100009869231 [0,2,0,0,0,0|1,1,0]=4 6355 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011216711_100011217306 [0,2,0,0,0,0|0,1,0]=3 6356 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011217306_100011216711 [0,2,0,0,0,0|0,1,0]=3 6357 B16R2.2441 FCCSCc1ccc2ccccc2n1 62a_100000737579_100011217306 [0,2,0,0,0,0|1,1,0]=4 6358 B16R2.2441 FCCSCc1ccc2ccccc2n1 62a_100011217306_100000737579 [0,2,0,0,0,0|1,1,0]=4 6359 B16R2.2441 FCCSCc1ccc2cnccc2c1 62a_100011217306_100020605334 [0,2,0,0,0,0|1,1,0]=4 6360 B16R2.2441 FCCSCc1ccc2cnccc2c1 62a_100020605334_100011217306 [0,2,0,0,0,0|1,1,0]=4 6361 B16R2.2441 FCCSCc1ccc2ncccc2c1 62a_100000703657_100011217306 [0,2,0,0,0,0|1,1,0]=4 6362 B16R2.2441 FCCSCc1ccc2ncccc2c1 62a_100011217306_100000703657 [0,2,0,0,0,0|1,1,0]=4 6363 B16R2.2441 FCNCCc1ccc2ccccc2c1 34a_100000746582_100015361967 [0,2,0,0,0,0|1,0,0]=3 6364 B16R2.2441 FCOCCc1ccc2ccccc2c1 34a_100000755654_100015361967 [0,2,0,0,0,0|1,0,0]=3 6365 B16R2.2441 FCOCCc1ccc2ccccc2c1 7a_100000755654_100015361967 [0,2,0,0,0,0|1,0,0]=3 6366 B16R2.2441 FCOCCc1ccc2ccccc2n1 34a_100011996444_100015361967 [0,2,0,0,0,0|2,0,0]=4 6367 B16R2.2441 N#CCCNc1ccc2ccccc2c1 7a_100000211940_100000184422 [0,2,0,0,0,0|1,0,0]=3 6368 B16R2.2441 N#CCCNc1ccc2ccccc2n1 27a_100000720768_100011291633 [0,2,0,0,0,0|2,0,0]=4 6369 B16R2.2441 N#CCCOc1ccc2ccccc2c1 7a_100000185828_100000184422 [0,2,0,0,0,0|0,0,0]=2 6370 B16R2.2441 N#CCCOc1ccc2ccncc2c1 7a_100000752006_100000184422 [0,2,0,0,0,0|1,0,0]=3 6371 B16R2.2441 N#CCCOc1ccc2cnccc2c1 7a_100000046372_100000184422 [0,2,0,0,0,0|1,0,0]=3 6372 B16R2.2441 N#CCCOc1ccc2ncccc2c1 7a_100011215586_100000184422 [0,2,0,0,0,0|1,0,0]=3 6373 B16R2.2441 N#CCCOc1cnc2ccccc2c1 7a_100011934006_100000184422 [0,2,0,0,0,0|1,0,0]=3 6374 B16R2.2441 N#CCCSc1cc2ccccc2cn1 62a_100009816522_100011215226 [0,2,0,0,0,0|1,1,0]=4 6375 B16R2.2441 N#CCCSc1cc2ccccc2cn1 62a_100011215226_100000047361 [0,2,0,0,0,0|1,1,0]=4 6376 B16R2.2441 N#CCCSc1ccc2ccccc2c1 62a_100011215226_100000233703 [0,2,0,0,0,0|0,1,0]=3 6377 B16R2.2441 N#CCCSc1ccc2ccccc2n1 62a_100011215226_100011291633 [0,2,0,0,0,0|1,1,0]=4 6378 B16R2.2441 N#CCCSc1ccc2ccccc2n1 62a_100011291633_100011215226 [0,2,0,0,0,0|1,1,0]=4 6379 B16R2.2441 N#CCCSc1ccc2cccnc2c1 62a_100011215226_100009816655 [0,2,0,0,0,0|1,1,0]=4 6380 B16R2.2441 N#CCCSc1ccc2ccncc2c1 62a_100000686496_100011215226 [0,2,0,0,0,0|1,1,0]=4 6381 B16R2.2441 N#CCCSc1ccc2ccncc2c1 62a_100011215226_100000686496 [0,2,0,0,0,0|1,1,0]=4 6382 B16R2.2441 N#CCCSc1ccc2cnccc2c1 62a_100009816743_100011215226 [0,2,0,0,0,0|1,1,0]=4 6383 B16R2.2441 N#CCCSc1ccc2cnccc2c1 62a_100011215226_100009816743 [0,2,0,0,0,0|1,1,0]=4 6384 B16R2.2441 N#CCCSc1ccc2ncccc2c1 62a_100011215226_100011215947 [0,2,0,0,0,0|1,1,0]=4 6385 B16R2.2441 N#CCCSc1ccc2ncccc2c1 62a_100011215947_100011215226 [0,2,0,0,0,0|1,1,0]=4 6386 B16R2.2441 N#CCCSc1cnc2ccccc2c1 62a_100011215226_100000737414 [0,2,0,0,0,0|1,1,0]=4 6387 B16R2.2441 N#CCNCc1ccc2ccccc2c1 2230a_100000739491_100011215382 [0,2,0,0,0,0|1,0,1]=4 6388 B16R2.2441 N#CCOCc1ccc2ccccc2c1 7a_100011215330_100011215382 [0,2,0,0,0,0|0,0,1]=3 6389 B16R2.2441 N#CCSCc1ccc2ccccc2c1 62a_100011215382_100011216711 [0,2,0,0,0,0|0,1,1]=4 6390 B16R2.2441 N#CCSCc1ccc2ccccc2c1 62a_100011216711_100011215382 [0,2,0,0,0,0|0,1,1]=4 6391 B16R2.2441 N#CSCSc1ccc2ccccc2c1 62a_100000211825_100000233703 [0,2,0,0,0,0|0,1,1]=4 6392 B16R2.2441 NCCOCc1cc2ccccc2cn1 34a_100000210304_100009869231 [0,2,0,0,0,0|1,0,0]=3 6393 B16R2.2441 NCCOCc1ccc2ccccc2c1 34a_100000210304_100011216711 [0,2,0,0,0,0|0,0,0]=2 6394 B16R2.2441 NCCOCc1ccc2ccccc2n1 34a_100000210304_100000737579 [0,2,0,0,0,0|1,0,0]=3 6395 B16R2.2441 NCCOCc1ccc2cnccc2c1 34a_100000210304_100020605334 [0,2,0,0,0,0|1,0,0]=3 6396 B16R2.2441 NCCOCc1ccc2ncccc2c1 34a_100000210304_100000703657 [0,2,0,0,0,0|1,0,0]=3 6397 B16R2.2441 NCCOCc1ncc2ccccc2n1 34a_100000210304_100009868571 [0,2,0,0,0,0|2,0,0]=4 6398 B16R2.2441 O=CCNCc1ccc2ccccc2c1 2230a_100000739491_200015260668 [0,2,0,0,0,0|1,0,1]=4 6399 B16R2.2441 O=CCNCc1ccc2ccccc2c1 34a_100000739491_200009817547 [0,2,0,0,0,0|1,0,1]=4 6400 B16R2.2441 O=CCOCc1ccc2ccccc2c1 34a_100011215330_200009817547 [0,2,0,0,0,0|0,0,1]=3 6401 B16R2.2441 O=CCOCc1ccc2ccccc2c1 7a_100011215330_200015260668 [0,2,0,0,0,0|0,0,1]=3 6402 B16R2.2441 O=CCOCc1ccc2ncccc2c1 34a_100011315636_200009817547 [0,2,0,0,0,0|1,0,1]=4 6403 B16R2.2441 O=CCOCc1cnc2ccccc2c1 34a_100011258773_200009817547 [0,2,0,0,0,0|1,0,1]=4 6404 B16R2.2441 O=CCSCc1ccc2ccccc2c1 62a_100011216711_200015260668 [0,2,0,0,0,0|0,1,1]=4 6405 B16R2.2441 O=CCSCc1ccc2ccccc2c1 62a_200015260668_100011216711 [0,2,0,0,0,0|0,1,1]=4 6406 B16R2.2441 OCCCNc1ccc2ccccc2c1 34a_100000211940_100000230001 [0,2,0,0,0,0|1,0,0]=3 6407 B16R2.2441 OCCCNc1ccc2ccccc2c1 7a_100000211940_100011215043 [0,2,0,0,0,0|1,0,0]=3 6408 B16R2.2441 OCCCNc1ccc2ccccc2n1 27a_100000182051_100011291633 [0,2,0,0,0,0|2,0,0]=4 6409 B16R2.2441 OCCCNc1ccc2cccnc2c1 34a_100102887122_100000230001 [0,2,0,0,0,0|2,0,0]=4 6410 B16R2.2441 OCCCNc1ccc2cnccc2c1 34a_100000039641_100000230001 [0,2,0,0,0,0|2,0,0]=4 6411 B16R2.2441 OCCCNc1ccc2ncccc2c1 34a_100011198106_100000230001 [0,2,0,0,0,0|2,0,0]=4 6412 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [0,2,0,0,0,0|0,0,0]=2 6413 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [0,2,0,0,0,0|0,0,0]=2 6414 B16R2.2441 OCCCOc1ccc2cccnc2c1 34a_100011216045_100000230001 [0,2,0,0,0,0|1,0,0]=3 6415 B16R2.2441 OCCCOc1ccc2ccncc2c1 7a_100000752006_100011215043 [0,2,0,0,0,0|1,0,0]=3 6416 B16R2.2441 OCCCOc1ccc2cnccc2c1 34a_100000046372_100000230001 [0,2,0,0,0,0|1,0,0]=3 6417 B16R2.2441 OCCCOc1ccc2cnccc2c1 7a_100000046372_100011215043 [0,2,0,0,0,0|1,0,0]=3 6418 B16R2.2441 OCCCOc1ccc2ncccc2c1 34a_100011215586_100000230001 [0,2,0,0,0,0|1,0,0]=3 6419 B16R2.2441 OCCCOc1ccc2ncccc2c1 7a_100011215586_100011215043 [0,2,0,0,0,0|1,0,0]=3 6420 B16R2.2441 OCCCOc1ccc2nccnc2c1 34a_100000694412_100000230001 [0,2,0,0,0,0|2,0,0]=4 6421 B16R2.2441 OCCCOc1cnc2ccccc2c1 34a_100011934006_100000230001 [0,2,0,0,0,0|1,0,0]=3 6422 B16R2.2441 OCCCOc1cnc2ccccc2c1 7a_100011934006_100011215043 [0,2,0,0,0,0|1,0,0]=3 6423 B16R2.2441 OCCCSc1cc2ccccc2cn1 62a_100009816522_100011215043 [0,2,0,0,0,0|1,1,0]=4 6424 B16R2.2441 OCCCSc1cc2ccccc2cn1 62a_100011215043_100000047361 [0,2,0,0,0,0|1,1,0]=4 6425 B16R2.2441 OCCCSc1ccc2ccccc2c1 62a_100011215043_100000233703 [0,2,0,0,0,0|0,1,0]=3 6426 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011215043_100011291633 [0,2,0,0,0,0|1,1,0]=4 6427 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011291633_100011215043 [0,2,0,0,0,0|1,1,0]=4 6428 B16R2.2441 OCCCSc1ccc2cccnc2c1 62a_100011215043_100009816655 [0,2,0,0,0,0|1,1,0]=4 6429 B16R2.2441 OCCCSc1ccc2ccncc2c1 62a_100000686496_100011215043 [0,2,0,0,0,0|1,1,0]=4 6430 B16R2.2441 OCCCSc1ccc2ccncc2c1 62a_100011215043_100000686496 [0,2,0,0,0,0|1,1,0]=4 6431 B16R2.2441 OCCCSc1ccc2cnccc2c1 62a_100009816743_100011215043 [0,2,0,0,0,0|1,1,0]=4 6432 B16R2.2441 OCCCSc1ccc2cnccc2c1 62a_100011215043_100009816743 [0,2,0,0,0,0|1,1,0]=4 6433 B16R2.2441 OCCCSc1ccc2ncccc2c1 62a_100011215043_100011215947 [0,2,0,0,0,0|1,1,0]=4 6434 B16R2.2441 OCCCSc1ccc2ncccc2c1 62a_100011215947_100011215043 [0,2,0,0,0,0|1,1,0]=4 6435 B16R2.2441 OCCCSc1cnc2ccccc2c1 62a_100011215043_100000737414 [0,2,0,0,0,0|1,1,0]=4 6436 B16R2.2441 OCCNCc1cc2ccccc2cn1 207a_100000210304_100000059776 [0,2,0,0,0,0|2,0,0]=4 6437 B16R2.2441 OCCNCc1cc2ccccc2cn1 2230a_100016997473_100009869231 [0,2,0,0,0,0|2,0,0]=4 6438 B16R2.2441 OCCNCc1cc2ccccc2cn1 270004a_100000210304_100000059776 [0,2,0,0,0,0|2,0,0]=4 6439 B16R2.2441 OCCNCc1cc2ccccc2cn1 34a_100016990907_100009869231 [0,2,0,0,0,0|2,0,0]=4 6440 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [0,2,0,0,0,0|1,0,0]=3 6441 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [0,2,0,0,0,0|1,0,0]=3 6442 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [0,2,0,0,0,0|1,0,0]=3 6443 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [0,2,0,0,0,0|1,0,0]=3 6444 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [0,2,0,0,0,0|1,0,0]=3 6445 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [0,2,0,0,0,0|1,0,0]=3 6446 B16R2.2441 OCCNCc1ccc2ccccc2n1 207a_100000210304_100000759686 [0,2,0,0,0,0|2,0,0]=4 6447 B16R2.2441 OCCNCc1ccc2ccccc2n1 2230a_100016997473_100000737579 [0,2,0,0,0,0|2,0,0]=4 6448 B16R2.2441 OCCNCc1ccc2ccccc2n1 270004a_100000210304_100000759686 [0,2,0,0,0,0|2,0,0]=4 6449 B16R2.2441 OCCNCc1ccc2ccccc2n1 34a_100016990907_100000737579 [0,2,0,0,0,0|2,0,0]=4 6450 B16R2.2441 OCCNCc1ccc2cccnc2c1 207a_100000210304_100011784159 [0,2,0,0,0,0|2,0,0]=4 6451 B16R2.2441 OCCNCc1ccc2cccnc2c1 270004a_100000210304_100011784159 [0,2,0,0,0,0|2,0,0]=4 6452 B16R2.2441 OCCNCc1ccc2cnccc2c1 207a_100000210304_100000068276 [0,2,0,0,0,0|2,0,0]=4 6453 B16R2.2441 OCCNCc1ccc2cnccc2c1 2230a_100016997473_100020605334 [0,2,0,0,0,0|2,0,0]=4 6454 B16R2.2441 OCCNCc1ccc2cnccc2c1 270004a_100000210304_100000068276 [0,2,0,0,0,0|2,0,0]=4 6455 B16R2.2441 OCCNCc1ccc2cnccc2c1 34a_100016990907_100020605334 [0,2,0,0,0,0|2,0,0]=4 6456 B16R2.2441 OCCNCc1ccc2ncccc2c1 207a_100000210304_100000211315 [0,2,0,0,0,0|2,0,0]=4 6457 B16R2.2441 OCCNCc1ccc2ncccc2c1 2230a_100016997473_100000703657 [0,2,0,0,0,0|2,0,0]=4 6458 B16R2.2441 OCCNCc1ccc2ncccc2c1 270004a_100000210304_100000211315 [0,2,0,0,0,0|2,0,0]=4 6459 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100000238500_100000211926 [0,2,0,0,0,0|2,0,0]=4 6460 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100016990907_100000703657 [0,2,0,0,0,0|2,0,0]=4 6461 B16R2.2441 OCCNCc1cnc2ccccc2c1 207a_100000210304_100000750898 [0,2,0,0,0,0|2,0,0]=4 6462 B16R2.2441 OCCNCc1cnc2ccccc2c1 270004a_100000210304_100000750898 [0,2,0,0,0,0|2,0,0]=4 6463 B16R2.2441 OCCNCc1cnc2ccccc2c1 34a_100000742225_100000211926 [0,2,0,0,0,0|2,0,0]=4 6464 B16R2.2441 OCCOCc1ccc2ccccc2c1 34a_100011215330_100000211926 [0,2,0,0,0,0|0,0,0]=2 6465 B16R2.2441 OCCOCc1ccc2ccccc2c1 7a_100011215330_100000211926 [0,2,0,0,0,0|0,0,0]=2 6466 B16R2.2441 OCCOCc1ccc2ncccc2c1 34a_100011315636_100000211926 [0,2,0,0,0,0|1,0,0]=3 6467 B16R2.2441 OCCOCc1cnc2ccccc2c1 34a_100011258773_100000211926 [0,2,0,0,0,0|1,0,0]=3 6468 B16R2.2441 OCCSCc1cc2ccccc2cn1 62a_100000211926_100009869231 [0,2,0,0,0,0|1,1,0]=4 6469 B16R2.2441 OCCSCc1cc2ccccc2cn1 62a_100009869231_100000211926 [0,2,0,0,0,0|1,1,0]=4 6470 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100000211926_100011216711 [0,2,0,0,0,0|0,1,0]=3 6471 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100011216711_100000211926 [0,2,0,0,0,0|0,1,0]=3 6472 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000211926_100000737579 [0,2,0,0,0,0|1,1,0]=4 6473 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000737579_100000211926 [0,2,0,0,0,0|1,1,0]=4 6474 B16R2.2441 OCCSCc1ccc2cnccc2c1 62a_100000211926_100020605334 [0,2,0,0,0,0|1,1,0]=4 6475 B16R2.2441 OCCSCc1ccc2cnccc2c1 62a_100020605334_100000211926 [0,2,0,0,0,0|1,1,0]=4 6476 B16R2.2441 OCCSCc1ccc2ncccc2c1 62a_100000211926_100000703657 [0,2,0,0,0,0|1,1,0]=4 6477 B16R2.2441 OCCSCc1ccc2ncccc2c1 62a_100000703657_100000211926 [0,2,0,0,0,0|1,1,0]=4 6478 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 34a_200011219602_200025704644 [0,2,0,0,0,0|0,0,0]=2 6479 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 7a_200011219602_200025704644 [0,2,0,0,0,0|0,0,0]=2 6480 B16R2.2942 C#CCNc1ccc2ccccc2c1Br 34a_100000705303_100000184674 [0,2,0,0,0,0|1,0,1]=4 6481 B16R2.2942 C#CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000184674 [0,2,0,0,0,0|1,0,1]=4 6482 B16R2.2942 C#CCNc1ccc2ccccc2c1O 34a_100000007060_100000184674 [0,2,0,0,0,0|1,0,1]=4 6483 B16R2.2942 C#CCOc1ccc2ccccc2c1Br 34a_100000183829_100000184674 [0,2,0,0,0,0|0,0,1]=3 6484 B16R2.2942 C#CCOc1ccc2ccccc2c1Br 7a_100000183829_100000038162 [0,2,0,0,0,0|0,0,1]=3 6485 B16R2.2942 C#CCOc1ccc2ccccc2c1C 34a_100009830054_100000184674 [0,2,0,0,0,0|0,0,1]=3 6486 B16R2.2942 C#CCOc1ccc2ccccc2c1C 7a_100009830054_100000038162 [0,2,0,0,0,0|0,0,1]=3 6487 B16R2.2942 C#CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000184674 [0,2,0,0,0,0|0,0,1]=3 6488 B16R2.2942 C#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000038162 [0,2,0,0,0,0|0,0,1]=3 6489 B16R2.2942 C#CCOc1ccc2ccccc2c1I 34a_100000041551_100000184674 [0,2,0,0,0,0|0,0,1]=3 6490 B16R2.2942 C#CCOc1ccc2ccccc2c1I 7a_100000041551_100000038162 [0,2,0,0,0,0|0,0,1]=3 6491 B16R2.2942 C#CCOc1ccc2ccccc2c1N 34a_100000007056_100000184674 [0,2,0,0,0,0|0,0,1]=3 6492 B16R2.2942 C#CCOc1ccc2ccccc2c1N 7a_100000007056_100000038162 [0,2,0,0,0,0|0,0,1]=3 6493 B16R2.2942 C#CCOc1ccc2cccnc2c1Br 34a_100010173343_100000184674 [0,2,0,0,0,0|1,0,1]=4 6494 B16R2.2942 C#CCOc1ccc2cccnc2c1Br 7a_100010173343_100000038162 [0,2,0,0,0,0|1,0,1]=4 6495 B16R2.2942 C#CCOc1ccc2ccncc2c1Br 34a_200010115057_100000184674 [0,2,0,0,0,0|1,0,1]=4 6496 B16R2.2942 C#CCOc1ccc2ccncc2c1Br 7a_200010115057_100000038162 [0,2,0,0,0,0|1,0,1]=4 6497 B16R2.2942 C#CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000184674 [0,2,0,0,0,0|1,0,1]=4 6498 B16R2.2942 C#CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000038162 [0,2,0,0,0,0|1,0,1]=4 6499 B16R2.2942 C#CCSc1ccc2ccccc2c1Br 62a_100000038162_200010089984 [0,2,0,0,0,0|0,1,1]=4 6500 B16R2.2942 C#CCSc1ccc2ccccc2c1C 62a_100000038162_100010221197 [0,2,0,0,0,0|0,1,1]=4 6501 B16R2.2942 C#CCSc1ccc2ccccc2c1F 62a_100000038162_100009832041 [0,2,0,0,0,0|0,1,1]=4 6502 B16R2.2942 C#CCSc1ccc2ccccc2c1O 62a_100000038162_100009996032 [0,2,0,0,0,0|0,1,1]=4 6503 B16R2.2942 C=CCNc1ccc2ccccc2c1Br 34a_100000705303_100015514636 [0,2,0,0,0,0|1,0,1]=4 6504 B16R2.2942 C=CCNc1ccc2ccccc2c1Cl 34a_100000075557_100015514636 [0,2,0,0,0,0|1,0,1]=4 6505 B16R2.2942 C=CCNc1ccc2ccccc2c1O 34a_100000007060_100015514636 [0,2,0,0,0,0|1,0,1]=4 6506 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 34a_100000183829_100015514636 [0,2,0,0,0,0|0,0,1]=3 6507 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 7a_100000183829_100015514636 [0,2,0,0,0,0|0,0,1]=3 6508 B16R2.2942 C=CCOc1ccc2ccccc2c1C 34a_100009830054_100015514636 [0,2,0,0,0,0|0,0,1]=3 6509 B16R2.2942 C=CCOc1ccc2ccccc2c1C 7a_100009830054_100015514636 [0,2,0,0,0,0|0,0,1]=3 6510 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 34a_100000029778_100015514636 [0,2,0,0,0,0|0,0,1]=3 6511 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 7a_100000029778_100015514636 [0,2,0,0,0,0|0,0,1]=3 6512 B16R2.2942 C=CCOc1ccc2ccccc2c1I 34a_100000041551_100015514636 [0,2,0,0,0,0|0,0,1]=3 6513 B16R2.2942 C=CCOc1ccc2ccccc2c1I 7a_100000041551_100015514636 [0,2,0,0,0,0|0,0,1]=3 6514 B16R2.2942 C=CCOc1ccc2ccccc2c1N 34a_100000007056_100015514636 [0,2,0,0,0,0|0,0,1]=3 6515 B16R2.2942 C=CCOc1ccc2ccccc2c1N 7a_100000007056_100015514636 [0,2,0,0,0,0|0,0,1]=3 6516 B16R2.2942 C=CCOc1ccc2cccnc2c1Br 34a_100010173343_100015514636 [0,2,0,0,0,0|1,0,1]=4 6517 B16R2.2942 C=CCOc1ccc2cccnc2c1Br 7a_100010173343_100015514636 [0,2,0,0,0,0|1,0,1]=4 6518 B16R2.2942 C=CCOc1ccc2ccncc2c1Br 34a_200010115057_100015514636 [0,2,0,0,0,0|1,0,1]=4 6519 B16R2.2942 C=CCOc1ccc2ccncc2c1Br 7a_200010115057_100015514636 [0,2,0,0,0,0|1,0,1]=4 6520 B16R2.2942 C=CCOc1ccc2cnccc2c1Cl 34a_100009824633_100015514636 [0,2,0,0,0,0|1,0,1]=4 6521 B16R2.2942 C=CCOc1ccc2cnccc2c1Cl 7a_100009824633_100015514636 [0,2,0,0,0,0|1,0,1]=4 6522 B16R2.2942 C=CCSc1ccc2ccccc2c1Br 62a_100000210623_200010089984 [0,2,0,0,0,0|0,1,1]=4 6523 B16R2.2942 C=CCSc1ccc2ccccc2c1Br 62a_200010089984_100000210623 [0,2,0,0,0,0|0,1,1]=4 6524 B16R2.2942 C=CCSc1ccc2ccccc2c1C 62a_100000210623_100010221197 [0,2,0,0,0,0|0,1,1]=4 6525 B16R2.2942 C=CCSc1ccc2ccccc2c1C 62a_100010221197_100000210623 [0,2,0,0,0,0|0,1,1]=4 6526 B16R2.2942 C=CCSc1ccc2ccccc2c1F 62a_100000210623_100009832041 [0,2,0,0,0,0|0,1,1]=4 6527 B16R2.2942 C=CCSc1ccc2ccccc2c1F 62a_100009832041_100000210623 [0,2,0,0,0,0|0,1,1]=4 6528 B16R2.2942 C=CCSc1ccc2ccccc2c1N 62a_100009817101_100000210623 [0,2,0,0,0,0|0,1,1]=4 6529 B16R2.2942 C=CCSc1ccc2ccccc2c1O 62a_100000210623_100009996032 [0,2,0,0,0,0|0,1,1]=4 6530 B16R2.2942 CCCCc1c[nH]c2ccccc2c1=O 271570a_100020621405_100012339567 [0,2,0,0,0,0|2,0,0]=4 6531 B16R2.2942 CCCCc1ccc2ccccc2c1Br 271570a_100020621405_200010089984 [0,2,0,0,0,0|1,0,0]=3 6532 B16R2.2942 CCCCc1ccc2ccccc2c1C 271570a_100020621405_100010221197 [0,2,0,0,0,0|1,0,0]=3 6533 B16R2.2942 CCCCc1ccc2ccccc2c1F 271570a_100020621405_100009832041 [0,2,0,0,0,0|1,0,0]=3 6534 B16R2.2942 CCCCc1ccc2ccccc2c1N 271570a_100020621405_100009817101 [0,2,0,0,0,0|1,0,0]=3 6535 B16R2.2942 CCCCc1ccc2ccccc2c1O 271570a_100020621405_100009996032 [0,2,0,0,0,0|1,0,0]=3 6536 B16R2.2942 CCCCc1ccc2cccnc2c1C 271570a_100020621405_100010214467 [0,2,0,0,0,0|2,0,0]=4 6537 B16R2.2942 CCCCc1ccc2cccnc2c1F 271570a_100020621405_100010751467 [0,2,0,0,0,0|2,0,0]=4 6538 B16R2.2942 CCCCc1ccc2cccnc2c1O 271570a_100020621405_100009816563 [0,2,0,0,0,0|2,0,0]=4 6539 B16R2.2942 CCCCc1ccc2cnccc2c1N 271570a_100020621405_100010191621 [0,2,0,0,0,0|2,0,0]=4 6540 B16R2.2942 CCCCc1ccc2ncccc2c1C 271570a_100020621405_200010137439 [0,2,0,0,0,0|2,0,0]=4 6541 B16R2.2942 CCCCc1ccc2ncccc2c1N 271570a_100020621405_200010235790 [0,2,0,0,0,0|2,0,0]=4 6542 B16R2.2942 CCCCc1cnc2ccccc2c1Cl 271570a_100020621405_100012352519 [0,2,0,0,0,0|2,0,0]=4 6543 B16R2.2942 CCCCc1cnc2ccccc2c1N 271570a_100020621405_100009995562 [0,2,0,0,0,0|2,0,0]=4 6544 B16R2.2942 CCCCc1coc2ccccc2c1=O 271570a_100020621405_100009813851 [0,2,0,0,0,0|2,0,0]=4 6545 B16R2.2942 CCCCc1ncc2ccccc2c1N 271570a_100020621405_100000087573 [0,2,0,0,0,0|2,0,0]=4 6546 B16R2.2942 CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210303 [0,2,0,0,0,0|1,0,0]=3 6547 B16R2.2942 CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210303 [0,2,0,0,0,0|1,0,0]=3 6548 B16R2.2942 CCCNc1ccc2ccccc2c1O 34a_100000007060_100000210303 [0,2,0,0,0,0|1,0,0]=3 6549 B16R2.2942 CCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210303 [0,2,0,0,0,0|2,0,0]=4 6550 B16R2.2942 CCCNc1ccc2ncccc2c1Br 34a_200009995563_100000210303 [0,2,0,0,0,0|2,0,0]=4 6551 B16R2.2942 CCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210303 [0,2,0,0,0,0|0,0,0]=2 6552 B16R2.2942 CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210303 [0,2,0,0,0,0|0,0,0]=2 6553 B16R2.2942 CCCOc1ccc2ccccc2c1C 34a_100009830054_100000210303 [0,2,0,0,0,0|0,0,0]=2 6554 B16R2.2942 CCCOc1ccc2ccccc2c1C 7a_100009830054_100000210303 [0,2,0,0,0,0|0,0,0]=2 6555 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210303 [0,2,0,0,0,0|0,0,0]=2 6556 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210303 [0,2,0,0,0,0|0,0,0]=2 6557 B16R2.2942 CCCOc1ccc2ccccc2c1I 34a_100000041551_100000210303 [0,2,0,0,0,0|0,0,0]=2 6558 B16R2.2942 CCCOc1ccc2ccccc2c1I 7a_100000041551_100000210303 [0,2,0,0,0,0|0,0,0]=2 6559 B16R2.2942 CCCOc1ccc2ccccc2c1N 34a_100000007056_100000210303 [0,2,0,0,0,0|0,0,0]=2 6560 B16R2.2942 CCCOc1ccc2ccccc2c1N 7a_100000007056_100000210303 [0,2,0,0,0,0|0,0,0]=2 6561 B16R2.2942 CCCOc1ccc2cccnc2c1Br 34a_100010173343_100000210303 [0,2,0,0,0,0|1,0,0]=3 6562 B16R2.2942 CCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210303 [0,2,0,0,0,0|1,0,0]=3 6563 B16R2.2942 CCCOc1ccc2ccncc2c1Br 34a_200010115057_100000210303 [0,2,0,0,0,0|1,0,0]=3 6564 B16R2.2942 CCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210303 [0,2,0,0,0,0|1,0,0]=3 6565 B16R2.2942 CCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210303 [0,2,0,0,0,0|1,0,0]=3 6566 B16R2.2942 CCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210303 [0,2,0,0,0,0|1,0,0]=3 6567 B16R2.2942 CCCSc1c[nH]c2ccccc2c1=O 62a_100000210303_100012348052 [0,2,0,0,0,0|1,1,0]=4 6568 B16R2.2942 CCCSc1ccc2ccccc2c1Br 62a_100000210303_200010089984 [0,2,0,0,0,0|0,1,0]=3 6569 B16R2.2942 CCCSc1ccc2ccccc2c1Br 62a_200010089984_100000210303 [0,2,0,0,0,0|0,1,0]=3 6570 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100000210303_100010221197 [0,2,0,0,0,0|0,1,0]=3 6571 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100010221197_100000210303 [0,2,0,0,0,0|0,1,0]=3 6572 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100000210303_100009832041 [0,2,0,0,0,0|0,1,0]=3 6573 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100009832041_100000210303 [0,2,0,0,0,0|0,1,0]=3 6574 B16R2.2942 CCCSc1ccc2ccccc2c1N 62a_100009817101_100000210303 [0,2,0,0,0,0|0,1,0]=3 6575 B16R2.2942 CCCSc1ccc2ccccc2c1O 62a_100000210303_100009996032 [0,2,0,0,0,0|0,1,0]=3 6576 B16R2.2942 CCCSc1ccc2cccnc2c1C 62a_100000210303_100010214467 [0,2,0,0,0,0|1,1,0]=4 6577 B16R2.2942 CCCSc1ccc2cccnc2c1F 62a_100000210303_100010751467 [0,2,0,0,0,0|1,1,0]=4 6578 B16R2.2942 CCCSc1ccc2cccnc2c1F 62a_100010751467_100000210303 [0,2,0,0,0,0|1,1,0]=4 6579 B16R2.2942 CCCSc1ccc2cccnc2c1O 62a_100000210303_100009816563 [0,2,0,0,0,0|1,1,0]=4 6580 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100000210303_100010191621 [0,2,0,0,0,0|1,1,0]=4 6581 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100010191621_100000210303 [0,2,0,0,0,0|1,1,0]=4 6582 B16R2.2942 CCCSc1ccc2ncccc2c1C 62a_100000210303_200010137439 [0,2,0,0,0,0|1,1,0]=4 6583 B16R2.2942 CCCSc1ccc2ncccc2c1C 62a_200010137439_100000210303 [0,2,0,0,0,0|1,1,0]=4 6584 B16R2.2942 CCCSc1ccc2ncccc2c1N 62a_200010235790_100000210303 [0,2,0,0,0,0|1,1,0]=4 6585 B16R2.2942 CCCSc1cnc2ccccc2c1Cl 62a_100000210303_100012352519 [0,2,0,0,0,0|1,1,0]=4 6586 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100000210303_100009995562 [0,2,0,0,0,0|1,1,0]=4 6587 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100009995562_100000210303 [0,2,0,0,0,0|1,1,0]=4 6588 B16R2.2942 CCCSc1coc2ccccc2c1=O 62a_100000210303_100009813851 [0,2,0,0,0,0|1,1,0]=4 6589 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100000210303_100000087573 [0,2,0,0,0,0|1,1,0]=4 6590 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100009995564_100000210303 [0,2,0,0,0,0|1,1,0]=4 6591 B16R2.2942 CCNCc1ccc2ccccc2c1Br 207a_100015525214_100009813496 [0,2,0,0,0,0|1,0,0]=3 6592 B16R2.2942 CCNCc1ccc2ccccc2c1Br 2230a_100015525214_100009813938 [0,2,0,0,0,0|1,0,0]=3 6593 B16R2.2942 CCNCc1ccc2ccccc2c1Br 270004a_100015525214_100009813496 [0,2,0,0,0,0|1,0,0]=3 6594 B16R2.2942 CCNCc1cnc2ccccc2c1Cl 270004a_100015525214_100000037458 [0,2,0,0,0,0|2,0,0]=4 6595 B16R2.2942 CCNCc1coc2ccccc2c1=O 270004a_100015525214_100000195500 [0,2,0,0,0,0|2,0,0]=4 6596 B16R2.2942 CCOCc1ccc2ccccc2c1Br 34a_100121572206_100009813938 [0,2,0,0,0,0|0,0,0]=2 6597 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100000210202_100009813938 [0,2,0,0,0,0|0,1,0]=3 6598 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100009813938_100000210202 [0,2,0,0,0,0|0,1,0]=3 6599 B16R2.2942 COCSc1c[nH]c2ccccc2c1=O 62a_100000766300_100012348052 [0,2,0,0,0,0|1,1,0]=4 6600 B16R2.2942 COCSc1ccc2ccccc2c1Br 62a_100000766300_200010089984 [0,2,0,0,0,0|0,1,0]=3 6601 B16R2.2942 COCSc1ccc2ccccc2c1Br 62a_200010089984_100000766300 [0,2,0,0,0,0|0,1,0]=3 6602 B16R2.2942 COCSc1ccc2ccccc2c1C 62a_100000766300_100010221197 [0,2,0,0,0,0|0,1,0]=3 6603 B16R2.2942 COCSc1ccc2ccccc2c1C 62a_100010221197_100000766300 [0,2,0,0,0,0|0,1,0]=3 6604 B16R2.2942 COCSc1ccc2ccccc2c1F 62a_100000766300_100009832041 [0,2,0,0,0,0|0,1,0]=3 6605 B16R2.2942 COCSc1ccc2ccccc2c1F 62a_100009832041_100000766300 [0,2,0,0,0,0|0,1,0]=3 6606 B16R2.2942 COCSc1ccc2ccccc2c1N 62a_100009817101_100000766300 [0,2,0,0,0,0|0,1,0]=3 6607 B16R2.2942 COCSc1ccc2ccccc2c1O 62a_100000766300_100009996032 [0,2,0,0,0,0|0,1,0]=3 6608 B16R2.2942 COCSc1ccc2cccnc2c1C 62a_100000766300_100010214467 [0,2,0,0,0,0|1,1,0]=4 6609 B16R2.2942 COCSc1ccc2cccnc2c1F 62a_100000766300_100010751467 [0,2,0,0,0,0|1,1,0]=4 6610 B16R2.2942 COCSc1ccc2cccnc2c1F 62a_100010751467_100000766300 [0,2,0,0,0,0|1,1,0]=4 6611 B16R2.2942 COCSc1ccc2cccnc2c1O 62a_100000766300_100009816563 [0,2,0,0,0,0|1,1,0]=4 6612 B16R2.2942 COCSc1ccc2cnccc2c1N 62a_100000766300_100010191621 [0,2,0,0,0,0|1,1,0]=4 6613 B16R2.2942 COCSc1ccc2cnccc2c1N 62a_100010191621_100000766300 [0,2,0,0,0,0|1,1,0]=4 6614 B16R2.2942 COCSc1ccc2ncccc2c1C 62a_100000766300_200010137439 [0,2,0,0,0,0|1,1,0]=4 6615 B16R2.2942 COCSc1ccc2ncccc2c1C 62a_200010137439_100000766300 [0,2,0,0,0,0|1,1,0]=4 6616 B16R2.2942 COCSc1ccc2ncccc2c1N 62a_200010235790_100000766300 [0,2,0,0,0,0|1,1,0]=4 6617 B16R2.2942 COCSc1cnc2ccccc2c1Cl 62a_100000766300_100012352519 [0,2,0,0,0,0|1,1,0]=4 6618 B16R2.2942 COCSc1cnc2ccccc2c1N 62a_100000766300_100009995562 [0,2,0,0,0,0|1,1,0]=4 6619 B16R2.2942 COCSc1cnc2ccccc2c1N 62a_100009995562_100000766300 [0,2,0,0,0,0|1,1,0]=4 6620 B16R2.2942 COCSc1coc2ccccc2c1=O 62a_100000766300_100009813851 [0,2,0,0,0,0|1,1,0]=4 6621 B16R2.2942 COCSc1ncc2ccccc2c1N 62a_100000766300_100000087573 [0,2,0,0,0,0|1,1,0]=4 6622 B16R2.2942 COCSc1ncc2ccccc2c1N 62a_100009995564_100000766300 [0,2,0,0,0,0|1,1,0]=4 6623 B16R2.2942 CSCNc1ccc2ccccc2c1Br 34a_100000705303_100011218213 [0,2,0,0,0,0|1,0,0]=3 6624 B16R2.2942 CSCNc1ccc2ccccc2c1Cl 34a_100000075557_100011218213 [0,2,0,0,0,0|1,0,0]=3 6625 B16R2.2942 CSCNc1ccc2ccccc2c1O 34a_100000007060_100011218213 [0,2,0,0,0,0|1,0,0]=3 6626 B16R2.2942 CSCNc1ccc2cnccc2c1Cl 34a_100009851981_100011218213 [0,2,0,0,0,0|2,0,0]=4 6627 B16R2.2942 CSCNc1ccc2ncccc2c1Br 34a_200009995563_100011218213 [0,2,0,0,0,0|2,0,0]=4 6628 B16R2.2942 CSCOc1ccc2ccccc2c1Br 34a_100000183829_100011218213 [0,2,0,0,0,0|0,0,0]=2 6629 B16R2.2942 CSCOc1ccc2ccccc2c1C 34a_100009830054_100011218213 [0,2,0,0,0,0|0,0,0]=2 6630 B16R2.2942 CSCOc1ccc2ccccc2c1Cl 34a_100000029778_100011218213 [0,2,0,0,0,0|0,0,0]=2 6631 B16R2.2942 CSCOc1ccc2ccccc2c1I 34a_100000041551_100011218213 [0,2,0,0,0,0|0,0,0]=2 6632 B16R2.2942 CSCOc1ccc2ccccc2c1N 34a_100000007056_100011218213 [0,2,0,0,0,0|0,0,0]=2 6633 B16R2.2942 CSCOc1ccc2cccnc2c1Br 34a_100010173343_100011218213 [0,2,0,0,0,0|1,0,0]=3 6634 B16R2.2942 CSCOc1ccc2ccncc2c1Br 34a_200010115057_100011218213 [0,2,0,0,0,0|1,0,0]=3 6635 B16R2.2942 CSCOc1ccc2cnccc2c1Cl 34a_100009824633_100011218213 [0,2,0,0,0,0|1,0,0]=3 6636 B16R2.2942 CSCSc1c[nH]c2ccccc2c1=O 62a_100011218213_100012348052 [0,2,0,0,0,0|1,1,0]=4 6637 B16R2.2942 CSCSc1ccc2ccccc2c1Br 62a_100011218213_200010089984 [0,2,0,0,0,0|0,1,0]=3 6638 B16R2.2942 CSCSc1ccc2ccccc2c1Br 62a_200010089984_100011218213 [0,2,0,0,0,0|0,1,0]=3 6639 B16R2.2942 CSCSc1ccc2ccccc2c1C 62a_100010221197_100011218213 [0,2,0,0,0,0|0,1,0]=3 6640 B16R2.2942 CSCSc1ccc2ccccc2c1C 62a_100011218213_100010221197 [0,2,0,0,0,0|0,1,0]=3 6641 B16R2.2942 CSCSc1ccc2ccccc2c1F 62a_100009832041_100011218213 [0,2,0,0,0,0|0,1,0]=3 6642 B16R2.2942 CSCSc1ccc2ccccc2c1F 62a_100011218213_100009832041 [0,2,0,0,0,0|0,1,0]=3 6643 B16R2.2942 CSCSc1ccc2ccccc2c1N 62a_100009817101_100011218213 [0,2,0,0,0,0|0,1,0]=3 6644 B16R2.2942 CSCSc1ccc2ccccc2c1O 62a_100011218213_100009996032 [0,2,0,0,0,0|0,1,0]=3 6645 B16R2.2942 CSCSc1ccc2cccnc2c1C 62a_100011218213_100010214467 [0,2,0,0,0,0|1,1,0]=4 6646 B16R2.2942 CSCSc1ccc2cccnc2c1F 62a_100010751467_100011218213 [0,2,0,0,0,0|1,1,0]=4 6647 B16R2.2942 CSCSc1ccc2cccnc2c1F 62a_100011218213_100010751467 [0,2,0,0,0,0|1,1,0]=4 6648 B16R2.2942 CSCSc1ccc2cccnc2c1O 62a_100011218213_100009816563 [0,2,0,0,0,0|1,1,0]=4 6649 B16R2.2942 CSCSc1ccc2cnccc2c1N 62a_100010191621_100011218213 [0,2,0,0,0,0|1,1,0]=4 6650 B16R2.2942 CSCSc1ccc2cnccc2c1N 62a_100011218213_100010191621 [0,2,0,0,0,0|1,1,0]=4 6651 B16R2.2942 CSCSc1ccc2ncccc2c1C 62a_100011218213_200010137439 [0,2,0,0,0,0|1,1,0]=4 6652 B16R2.2942 CSCSc1ccc2ncccc2c1C 62a_200010137439_100011218213 [0,2,0,0,0,0|1,1,0]=4 6653 B16R2.2942 CSCSc1ccc2ncccc2c1N 62a_200010235790_100011218213 [0,2,0,0,0,0|1,1,0]=4 6654 B16R2.2942 CSCSc1cnc2ccccc2c1Cl 62a_100011218213_100012352519 [0,2,0,0,0,0|1,1,0]=4 6655 B16R2.2942 CSCSc1cnc2ccccc2c1N 62a_100009995562_100011218213 [0,2,0,0,0,0|1,1,0]=4 6656 B16R2.2942 CSCSc1cnc2ccccc2c1N 62a_100011218213_100009995562 [0,2,0,0,0,0|1,1,0]=4 6657 B16R2.2942 CSCSc1coc2ccccc2c1=O 62a_100011218213_100009813851 [0,2,0,0,0,0|1,1,0]=4 6658 B16R2.2942 CSCSc1ncc2ccccc2c1N 62a_100009995564_100011218213 [0,2,0,0,0,0|1,1,0]=4 6659 B16R2.2942 CSCSc1ncc2ccccc2c1N 62a_100011218213_100000087573 [0,2,0,0,0,0|1,1,0]=4 6660 B16R2.2942 Cc1c(ccc2c1cccc2)OCC#N 7a_100009830054_100011215382 [0,2,0,0,0,0|0,0,1]=3 6661 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 34a_100009830054_200009817547 [0,2,0,0,0,0|0,0,1]=3 6662 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 7a_100009830054_200015260668 [0,2,0,0,0,0|0,0,1]=3 6663 B16R2.2942 Cc1c(ccc2c1cccc2)OCCF 34a_100009830054_100011217306 [0,2,0,0,0,0|0,0,0]=2 6664 B16R2.2942 Cc1c(ccc2c1cccc2)OCCF 7a_100009830054_100011217306 [0,2,0,0,0,0|0,0,0]=2 6665 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 34a_100009830054_100000211926 [0,2,0,0,0,0|0,0,0]=2 6666 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 7a_100009830054_100000211926 [0,2,0,0,0,0|0,0,0]=2 6667 B16R2.2942 Cc1c(ccc2c1cccc2)SCC#N 62a_100010221197_100011215382 [0,2,0,0,0,0|0,1,1]=4 6668 B16R2.2942 Cc1c(ccc2c1cccc2)SCC#N 62a_100011215382_100010221197 [0,2,0,0,0,0|0,1,1]=4 6669 B16R2.2942 Cc1c(ccc2c1cccc2)SCC=O 62a_100010221197_200015260668 [0,2,0,0,0,0|0,1,1]=4 6670 B16R2.2942 Cc1c(ccc2c1cccc2)SCC=O 62a_200015260668_100010221197 [0,2,0,0,0,0|0,1,1]=4 6671 B16R2.2942 Cc1c(ccc2c1cccc2)SCCF 62a_100010221197_100011217306 [0,2,0,0,0,0|0,1,0]=3 6672 B16R2.2942 Cc1c(ccc2c1cccc2)SCCF 62a_100011217306_100010221197 [0,2,0,0,0,0|0,1,0]=3 6673 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100000211926_100010221197 [0,2,0,0,0,0|0,1,0]=3 6674 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100010221197_100000211926 [0,2,0,0,0,0|0,1,0]=3 6675 B16R2.2942 Cc1c(ccc2c1cccn2)SCCF 62a_100011217306_200010137439 [0,2,0,0,0,0|1,1,0]=4 6676 B16R2.2942 Cc1c(ccc2c1cccn2)SCCF 62a_200010137439_100011217306 [0,2,0,0,0,0|1,1,0]=4 6677 B16R2.2942 Cc1c(ccc2c1cccn2)SCCO 62a_100000211926_200010137439 [0,2,0,0,0,0|1,1,0]=4 6678 B16R2.2942 Cc1c(ccc2c1cccn2)SCCO 62a_200010137439_100000211926 [0,2,0,0,0,0|1,1,0]=4 6679 B16R2.2942 Cc1c(ccc2c1nccc2)SCCF 62a_100011217306_100010214467 [0,2,0,0,0,0|1,1,0]=4 6680 B16R2.2942 Cc1c(ccc2c1nccc2)SCCO 62a_100000211926_100010214467 [0,2,0,0,0,0|1,1,0]=4 6681 B16R2.2942 FCCNc1ccc2ccccc2c1Br 34a_100000705303_100011217306 [0,2,0,0,0,0|1,0,0]=3 6682 B16R2.2942 FCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011217306 [0,2,0,0,0,0|1,0,0]=3 6683 B16R2.2942 FCCNc1ccc2cnccc2c1Cl 34a_100009851981_100011217306 [0,2,0,0,0,0|2,0,0]=4 6684 B16R2.2942 FCCNc1ccc2ncccc2c1Br 34a_200009995563_100011217306 [0,2,0,0,0,0|2,0,0]=4 6685 B16R2.2942 FCCOc1ccc2ccccc2c1Br 34a_100000183829_100011217306 [0,2,0,0,0,0|0,0,0]=2 6686 B16R2.2942 FCCOc1ccc2ccccc2c1Br 7a_100000183829_100011217306 [0,2,0,0,0,0|0,0,0]=2 6687 B16R2.2942 FCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011217306 [0,2,0,0,0,0|0,0,0]=2 6688 B16R2.2942 FCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011217306 [0,2,0,0,0,0|0,0,0]=2 6689 B16R2.2942 FCCOc1ccc2ccccc2c1I 34a_100000041551_100011217306 [0,2,0,0,0,0|0,0,0]=2 6690 B16R2.2942 FCCOc1ccc2ccccc2c1I 7a_100000041551_100011217306 [0,2,0,0,0,0|0,0,0]=2 6691 B16R2.2942 FCCOc1ccc2cccnc2c1Br 34a_100010173343_100011217306 [0,2,0,0,0,0|1,0,0]=3 6692 B16R2.2942 FCCOc1ccc2cccnc2c1Br 7a_100010173343_100011217306 [0,2,0,0,0,0|1,0,0]=3 6693 B16R2.2942 FCCOc1ccc2ccncc2c1Br 34a_200010115057_100011217306 [0,2,0,0,0,0|1,0,0]=3 6694 B16R2.2942 FCCOc1ccc2ccncc2c1Br 7a_200010115057_100011217306 [0,2,0,0,0,0|1,0,0]=3 6695 B16R2.2942 FCCOc1ccc2cnccc2c1Cl 34a_100009824633_100011217306 [0,2,0,0,0,0|1,0,0]=3 6696 B16R2.2942 FCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011217306 [0,2,0,0,0,0|1,0,0]=3 6697 B16R2.2942 FCCSc1ccc2ccccc2c1Br 62a_100011217306_200010089984 [0,2,0,0,0,0|0,1,0]=3 6698 B16R2.2942 FCCSc1ccc2ccccc2c1Br 62a_200010089984_100011217306 [0,2,0,0,0,0|0,1,0]=3 6699 B16R2.2942 FCCSc1ccc2ccccc2c1F 62a_100009832041_100011217306 [0,2,0,0,0,0|0,1,0]=3 6700 B16R2.2942 FCCSc1ccc2ccccc2c1F 62a_100011217306_100009832041 [0,2,0,0,0,0|0,1,0]=3 6701 B16R2.2942 FCCSc1ccc2cccnc2c1F 62a_100010751467_100011217306 [0,2,0,0,0,0|1,1,0]=4 6702 B16R2.2942 FCCSc1ccc2cccnc2c1F 62a_100011217306_100010751467 [0,2,0,0,0,0|1,1,0]=4 6703 B16R2.2942 FCCSc1cnc2ccccc2c1Cl 62a_100011217306_100012352519 [0,2,0,0,0,0|1,1,0]=4 6704 B16R2.2942 FCSCc1ccc2ccccc2c1Br 62a_100009813938_100015361967 [0,2,0,0,0,0|1,1,0]=4 6705 B16R2.2942 FCSCc1ccc2ccccc2c1Br 62a_100015361967_100009813938 [0,2,0,0,0,0|1,1,0]=4 6706 B16R2.2942 N#CCOc1ccc2ccccc2c1Br 7a_100000183829_100011215382 [0,2,0,0,0,0|0,0,1]=3 6707 B16R2.2942 N#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215382 [0,2,0,0,0,0|0,0,1]=3 6708 B16R2.2942 N#CCOc1ccc2ccccc2c1I 7a_100000041551_100011215382 [0,2,0,0,0,0|0,0,1]=3 6709 B16R2.2942 N#CCOc1ccc2ccccc2c1N 7a_100000007056_100011215382 [0,2,0,0,0,0|0,0,1]=3 6710 B16R2.2942 N#CCOc1ccc2cccnc2c1Br 7a_100010173343_100011215382 [0,2,0,0,0,0|1,0,1]=4 6711 B16R2.2942 N#CCOc1ccc2ccncc2c1Br 7a_200010115057_100011215382 [0,2,0,0,0,0|1,0,1]=4 6712 B16R2.2942 N#CCOc1ccc2cnccc2c1Cl 7a_100009824633_100011215382 [0,2,0,0,0,0|1,0,1]=4 6713 B16R2.2942 N#CCSc1ccc2ccccc2c1Br 62a_100011215382_200010089984 [0,2,0,0,0,0|0,1,1]=4 6714 B16R2.2942 N#CCSc1ccc2ccccc2c1Br 62a_200010089984_100011215382 [0,2,0,0,0,0|0,1,1]=4 6715 B16R2.2942 N#CCSc1ccc2ccccc2c1F 62a_100009832041_100011215382 [0,2,0,0,0,0|0,1,1]=4 6716 B16R2.2942 N#CCSc1ccc2ccccc2c1F 62a_100011215382_100009832041 [0,2,0,0,0,0|0,1,1]=4 6717 B16R2.2942 N#CCSc1ccc2ccccc2c1N 62a_100009817101_100011215382 [0,2,0,0,0,0|0,1,1]=4 6718 B16R2.2942 N#CCSc1ccc2ccccc2c1O 62a_100011215382_100009996032 [0,2,0,0,0,0|0,1,1]=4 6719 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 34a_100000007056_200009817547 [0,2,0,0,0,0|0,0,1]=3 6720 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 7a_100000007056_200015260668 [0,2,0,0,0,0|0,0,1]=3 6721 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 34a_100000007056_100011217306 [0,2,0,0,0,0|0,0,0]=2 6722 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 7a_100000007056_100011217306 [0,2,0,0,0,0|0,0,0]=2 6723 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 34a_100000007056_100000211926 [0,2,0,0,0,0|0,0,0]=2 6724 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 7a_100000007056_100000211926 [0,2,0,0,0,0|0,0,0]=2 6725 B16R2.2942 Nc1c(ccc2c1cccc2)SCC=O 62a_100009817101_200015260668 [0,2,0,0,0,0|0,1,1]=4 6726 B16R2.2942 Nc1c(ccc2c1cccc2)SCCF 62a_100009817101_100011217306 [0,2,0,0,0,0|0,1,0]=3 6727 B16R2.2942 Nc1c(ccc2c1cccc2)SCCO 62a_100009817101_100000211926 [0,2,0,0,0,0|0,1,0]=3 6728 B16R2.2942 Nc1c(ccc2c1cccn2)SCCF 62a_200010235790_100011217306 [0,2,0,0,0,0|1,1,0]=4 6729 B16R2.2942 Nc1c(ccc2c1cccn2)SCCO 62a_200010235790_100000211926 [0,2,0,0,0,0|1,1,0]=4 6730 B16R2.2942 Nc1c(ccc2c1ccnc2)SCCF 62a_100010191621_100011217306 [0,2,0,0,0,0|1,1,0]=4 6731 B16R2.2942 Nc1c(ccc2c1ccnc2)SCCF 62a_100011217306_100010191621 [0,2,0,0,0,0|1,1,0]=4 6732 B16R2.2942 Nc1c(ccc2c1ccnc2)SCCO 62a_100000211926_100010191621 [0,2,0,0,0,0|1,1,0]=4 6733 B16R2.2942 Nc1c(ccc2c1ccnc2)SCCO 62a_100010191621_100000211926 [0,2,0,0,0,0|1,1,0]=4 6734 B16R2.2942 Nc1c(cnc2c1cccc2)SCCF 62a_100009995562_100011217306 [0,2,0,0,0,0|1,1,0]=4 6735 B16R2.2942 Nc1c(cnc2c1cccc2)SCCF 62a_100011217306_100009995562 [0,2,0,0,0,0|1,1,0]=4 6736 B16R2.2942 Nc1c(cnc2c1cccc2)SCCO 62a_100000211926_100009995562 [0,2,0,0,0,0|1,1,0]=4 6737 B16R2.2942 Nc1c(cnc2c1cccc2)SCCO 62a_100009995562_100000211926 [0,2,0,0,0,0|1,1,0]=4 6738 B16R2.2942 Nc1c(ncc2c1cccc2)SCCF 62a_100009995564_100011217306 [0,2,0,0,0,0|1,1,0]=4 6739 B16R2.2942 Nc1c(ncc2c1cccc2)SCCF 62a_100011217306_100000087573 [0,2,0,0,0,0|1,1,0]=4 6740 B16R2.2942 Nc1c(ncc2c1cccc2)SCCO 62a_100000211926_100000087573 [0,2,0,0,0,0|1,1,0]=4 6741 B16R2.2942 Nc1c(ncc2c1cccc2)SCCO 62a_100009995564_100000211926 [0,2,0,0,0,0|1,1,0]=4 6742 B16R2.2942 O=CCNc1ccc2ccccc2c1Br 34a_100000705303_200009817547 [0,2,0,0,0,0|1,0,1]=4 6743 B16R2.2942 O=CCNc1ccc2ccccc2c1Cl 34a_100000075557_200009817547 [0,2,0,0,0,0|1,0,1]=4 6744 B16R2.2942 O=CCNc1ccc2ccccc2c1O 34a_100000007060_200009817547 [0,2,0,0,0,0|1,0,1]=4 6745 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 34a_100000183829_200009817547 [0,2,0,0,0,0|0,0,1]=3 6746 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 7a_100000183829_200015260668 [0,2,0,0,0,0|0,0,1]=3 6747 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 34a_100000029778_200009817547 [0,2,0,0,0,0|0,0,1]=3 6748 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 7a_100000029778_200015260668 [0,2,0,0,0,0|0,0,1]=3 6749 B16R2.2942 O=CCOc1ccc2ccccc2c1I 34a_100000041551_200009817547 [0,2,0,0,0,0|0,0,1]=3 6750 B16R2.2942 O=CCOc1ccc2ccccc2c1I 7a_100000041551_200015260668 [0,2,0,0,0,0|0,0,1]=3 6751 B16R2.2942 O=CCOc1ccc2cccnc2c1Br 34a_100010173343_200009817547 [0,2,0,0,0,0|1,0,1]=4 6752 B16R2.2942 O=CCOc1ccc2cccnc2c1Br 7a_100010173343_200015260668 [0,2,0,0,0,0|1,0,1]=4 6753 B16R2.2942 O=CCOc1ccc2ccncc2c1Br 34a_200010115057_200009817547 [0,2,0,0,0,0|1,0,1]=4 6754 B16R2.2942 O=CCOc1ccc2ccncc2c1Br 7a_200010115057_200015260668 [0,2,0,0,0,0|1,0,1]=4 6755 B16R2.2942 O=CCOc1ccc2cnccc2c1Cl 34a_100009824633_200009817547 [0,2,0,0,0,0|1,0,1]=4 6756 B16R2.2942 O=CCOc1ccc2cnccc2c1Cl 7a_100009824633_200015260668 [0,2,0,0,0,0|1,0,1]=4 6757 B16R2.2942 O=CCSc1ccc2ccccc2c1Br 62a_200010089984_200015260668 [0,2,0,0,0,0|0,1,1]=4 6758 B16R2.2942 O=CCSc1ccc2ccccc2c1Br 62a_200015260668_200010089984 [0,2,0,0,0,0|0,1,1]=4 6759 B16R2.2942 O=CCSc1ccc2ccccc2c1F 62a_100009832041_200015260668 [0,2,0,0,0,0|0,1,1]=4 6760 B16R2.2942 O=CCSc1ccc2ccccc2c1F 62a_200015260668_100009832041 [0,2,0,0,0,0|0,1,1]=4 6761 B16R2.2942 O=CCSc1ccc2ccccc2c1O 62a_200015260668_100009996032 [0,2,0,0,0,0|0,1,1]=4 6762 B16R2.2942 O=c1c(c[nH]c2c1cccc2)SCCF 62a_100011217306_100012348052 [0,2,0,0,0,0|1,1,0]=4 6763 B16R2.2942 O=c1c(c[nH]c2c1cccc2)SCCO 62a_100000211926_100012348052 [0,2,0,0,0,0|1,1,0]=4 6764 B16R2.2942 O=c1c(coc2c1cccc2)SCCF 62a_100011217306_100009813851 [0,2,0,0,0,0|1,1,0]=4 6765 B16R2.2942 O=c1c(coc2c1cccc2)SCCO 62a_100000211926_100009813851 [0,2,0,0,0,0|1,1,0]=4 6766 B16R2.2942 OCCNc1ccc2ccccc2c1Br 34a_100000705303_100000211926 [0,2,0,0,0,0|1,0,0]=3 6767 B16R2.2942 OCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000211926 [0,2,0,0,0,0|1,0,0]=3 6768 B16R2.2942 OCCNc1ccc2ccccc2c1O 34a_100000007060_100000211926 [0,2,0,0,0,0|1,0,0]=3 6769 B16R2.2942 OCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000211926 [0,2,0,0,0,0|2,0,0]=4 6770 B16R2.2942 OCCNc1ccc2ncccc2c1Br 34a_200009995563_100000211926 [0,2,0,0,0,0|2,0,0]=4 6771 B16R2.2942 OCCOc1ccc2ccccc2c1Br 34a_100000183829_100000211926 [0,2,0,0,0,0|0,0,0]=2 6772 B16R2.2942 OCCOc1ccc2ccccc2c1Br 7a_100000183829_100000211926 [0,2,0,0,0,0|0,0,0]=2 6773 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000211926 [0,2,0,0,0,0|0,0,0]=2 6774 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000211926 [0,2,0,0,0,0|0,0,0]=2 6775 B16R2.2942 OCCOc1ccc2ccccc2c1I 34a_100000041551_100000211926 [0,2,0,0,0,0|0,0,0]=2 6776 B16R2.2942 OCCOc1ccc2ccccc2c1I 7a_100000041551_100000211926 [0,2,0,0,0,0|0,0,0]=2 6777 B16R2.2942 OCCOc1ccc2cccnc2c1Br 34a_100010173343_100000211926 [0,2,0,0,0,0|1,0,0]=3 6778 B16R2.2942 OCCOc1ccc2cccnc2c1Br 7a_100010173343_100000211926 [0,2,0,0,0,0|1,0,0]=3 6779 B16R2.2942 OCCOc1ccc2ccncc2c1Br 34a_200010115057_100000211926 [0,2,0,0,0,0|1,0,0]=3 6780 B16R2.2942 OCCOc1ccc2ccncc2c1Br 7a_200010115057_100000211926 [0,2,0,0,0,0|1,0,0]=3 6781 B16R2.2942 OCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000211926 [0,2,0,0,0,0|1,0,0]=3 6782 B16R2.2942 OCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000211926 [0,2,0,0,0,0|1,0,0]=3 6783 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_100000211926_200010089984 [0,2,0,0,0,0|0,1,0]=3 6784 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_200010089984_100000211926 [0,2,0,0,0,0|0,1,0]=3 6785 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100000211926_100009832041 [0,2,0,0,0,0|0,1,0]=3 6786 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100009832041_100000211926 [0,2,0,0,0,0|0,1,0]=3 6787 B16R2.2942 OCCSc1ccc2ccccc2c1O 62a_100000211926_100009996032 [0,2,0,0,0,0|0,1,0]=3 6788 B16R2.2942 OCCSc1ccc2cccnc2c1F 62a_100000211926_100010751467 [0,2,0,0,0,0|1,1,0]=4 6789 B16R2.2942 OCCSc1ccc2cccnc2c1F 62a_100010751467_100000211926 [0,2,0,0,0,0|1,1,0]=4 6790 B16R2.2942 OCCSc1ccc2cccnc2c1O 62a_100000211926_100009816563 [0,2,0,0,0,0|1,1,0]=4 6791 B16R2.2942 OCCSc1cnc2ccccc2c1Cl 62a_100000211926_100012352519 [0,2,0,0,0,0|1,1,0]=4 6792 B16R2.2942 Oc1c(ccc2c1cccc2)NCCF 34a_100000007060_100011217306 [0,2,0,0,0,0|1,0,0]=3 6793 B16R2.2942 Oc1c(ccc2c1cccc2)SCCF 62a_100011217306_100009996032 [0,2,0,0,0,0|0,1,0]=3 6794 B16R2.2942 Oc1c(ccc2c1nccc2)SCCF 62a_100011217306_100009816563 [0,2,0,0,0,0|1,1,0]=4 6795 B16R2.5347 C#CC(C)Nc1ccc2ccccc2c1 34a_100000211940_200000035995 [0,2,0,0,0,0|1,0,0]=3 6796 B16R2.5347 C#CC(C)Nc1ccc2ccccc2n1 27a_100000707721_100011291633 [0,2,0,0,0,0|2,0,0]=4 6797 B16R2.5347 C#CC(C)Nc1ccc2cccnc2c1 34a_100102887122_200000035995 [0,2,0,0,0,0|2,0,0]=4 6798 B16R2.5347 C#CC(C)Nc1ccc2cnccc2c1 34a_100000039641_200000035995 [0,2,0,0,0,0|2,0,0]=4 6799 B16R2.5347 C#CC(C)Nc1ccc2ncccc2c1 34a_100011198106_200000035995 [0,2,0,0,0,0|2,0,0]=4 6800 B16R2.5347 C#CC(C)Oc1ccc2ccccc2c1 34a_100000185828_200000035995 [0,2,0,0,0,0|0,0,0]=2 6801 B16R2.5347 C#CC(C)Oc1ccc2cccnc2c1 34a_100011216045_200000035995 [0,2,0,0,0,0|1,0,0]=3 6802 B16R2.5347 C#CC(C)Oc1ccc2cnccc2c1 34a_100000046372_200000035995 [0,2,0,0,0,0|1,0,0]=3 6803 B16R2.5347 C#CC(C)Oc1ccc2ncccc2c1 34a_100011215586_200000035995 [0,2,0,0,0,0|1,0,0]=3 6804 B16R2.5347 C#CC(C)Oc1ccc2nccnc2c1 34a_100000694412_200000035995 [0,2,0,0,0,0|2,0,0]=4 6805 B16R2.5347 C#CC(C)Oc1cnc2ccccc2c1 34a_100011934006_200000035995 [0,2,0,0,0,0|1,0,0]=3 6806 B16R2.5347 C#CC(C)Sc1cc2ccccc2cn1 62a_200000035995_100000047361 [0,2,0,0,0,0|1,1,0]=4 6807 B16R2.5347 C#CC(C)Sc1ccc2ccccc2c1 62a_200000035995_100000233703 [0,2,0,0,0,0|0,1,0]=3 6808 B16R2.5347 C#CC(C)Sc1ccc2ccccc2n1 62a_200000035995_100011291633 [0,2,0,0,0,0|1,1,0]=4 6809 B16R2.5347 C#CC(C)Sc1ccc2cccnc2c1 62a_200000035995_100009816655 [0,2,0,0,0,0|1,1,0]=4 6810 B16R2.5347 C#CC(C)Sc1ccc2ccncc2c1 62a_200000035995_100000686496 [0,2,0,0,0,0|1,1,0]=4 6811 B16R2.5347 C#CC(C)Sc1ccc2cnccc2c1 62a_200000035995_100009816743 [0,2,0,0,0,0|1,1,0]=4 6812 B16R2.5347 C#CC(C)Sc1ccc2ncccc2c1 62a_200000035995_100011215947 [0,2,0,0,0,0|1,1,0]=4 6813 B16R2.5347 C#CC(C)Sc1cnc2ccccc2c1 62a_200000035995_100000737414 [0,2,0,0,0,0|1,1,0]=4 6814 B16R2.5347 C=CC(C)Sc1cc2ccccc2cn1 62a_100011215867_100000047361 [0,2,0,0,0,0|1,1,0]=4 6815 B16R2.5347 C=CC(C)Sc1ccc2ccccc2c1 62a_100011215867_100000233703 [0,2,0,0,0,0|0,1,0]=3 6816 B16R2.5347 C=CC(C)Sc1ccc2ccccc2n1 62a_100011215867_100011291633 [0,2,0,0,0,0|1,1,0]=4 6817 B16R2.5347 C=CC(C)Sc1ccc2cccnc2c1 62a_100011215867_100009816655 [0,2,0,0,0,0|1,1,0]=4 6818 B16R2.5347 C=CC(C)Sc1ccc2ccncc2c1 62a_100011215867_100000686496 [0,2,0,0,0,0|1,1,0]=4 6819 B16R2.5347 C=CC(C)Sc1ccc2cnccc2c1 62a_100011215867_100009816743 [0,2,0,0,0,0|1,1,0]=4 6820 B16R2.5347 C=CC(C)Sc1ccc2ncccc2c1 62a_100011215867_100011215947 [0,2,0,0,0,0|1,1,0]=4 6821 B16R2.5347 C=CC(C)Sc1cnc2ccccc2c1 62a_100011215867_100000737414 [0,2,0,0,0,0|1,1,0]=4 6822 B16R2.5347 CC(C#N)Nc1ccc2ccccc2c1 7a_100000211940_100000703298 [0,2,0,0,0,0|1,0,0]=3 6823 B16R2.5347 CC(C#N)Oc1ccc2ccccc2c1 7a_100000185828_100000703298 [0,2,0,0,0,0|0,0,0]=2 6824 B16R2.5347 CC(C#N)Oc1ccc2ccncc2c1 7a_100000752006_100000703298 [0,2,0,0,0,0|1,0,0]=3 6825 B16R2.5347 CC(C#N)Oc1ccc2cnccc2c1 7a_100000046372_100000703298 [0,2,0,0,0,0|1,0,0]=3 6826 B16R2.5347 CC(C#N)Oc1ccc2ncccc2c1 7a_100011215586_100000703298 [0,2,0,0,0,0|1,0,0]=3 6827 B16R2.5347 CC(C#N)Oc1cnc2ccccc2c1 7a_100011934006_100000703298 [0,2,0,0,0,0|1,0,0]=3 6828 B16R2.5347 CC(C#N)Sc1cc2ccccc2cn1 62a_100000703298_100000047361 [0,2,0,0,0,0|1,1,0]=4 6829 B16R2.5347 CC(C#N)Sc1cc2ccccc2cn1 62a_100009816522_100000703298 [0,2,0,0,0,0|1,1,0]=4 6830 B16R2.5347 CC(C#N)Sc1ccc2ccccc2c1 62a_100000703298_100000233703 [0,2,0,0,0,0|0,1,0]=3 6831 B16R2.5347 CC(C#N)Sc1ccc2ccccc2n1 62a_100000703298_100011291633 [0,2,0,0,0,0|1,1,0]=4 6832 B16R2.5347 CC(C#N)Sc1ccc2ccccc2n1 62a_100011291633_100000703298 [0,2,0,0,0,0|1,1,0]=4 6833 B16R2.5347 CC(C#N)Sc1ccc2cccnc2c1 62a_100000703298_100009816655 [0,2,0,0,0,0|1,1,0]=4 6834 B16R2.5347 CC(C#N)Sc1ccc2ccncc2c1 62a_100000686496_100000703298 [0,2,0,0,0,0|1,1,0]=4 6835 B16R2.5347 CC(C#N)Sc1ccc2ccncc2c1 62a_100000703298_100000686496 [0,2,0,0,0,0|1,1,0]=4 6836 B16R2.5347 CC(C#N)Sc1ccc2cnccc2c1 62a_100000703298_100009816743 [0,2,0,0,0,0|1,1,0]=4 6837 B16R2.5347 CC(C#N)Sc1ccc2cnccc2c1 62a_100009816743_100000703298 [0,2,0,0,0,0|1,1,0]=4 6838 B16R2.5347 CC(C#N)Sc1ccc2ncccc2c1 62a_100000703298_100011215947 [0,2,0,0,0,0|1,1,0]=4 6839 B16R2.5347 CC(C#N)Sc1ccc2ncccc2c1 62a_100011215947_100000703298 [0,2,0,0,0,0|1,1,0]=4 6840 B16R2.5347 CC(C#N)Sc1cnc2ccccc2c1 62a_100000703298_100000737414 [0,2,0,0,0,0|1,1,0]=4 6841 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 34a_100000211940_100012180447 [0,2,0,0,0,0|1,0,0]=3 6842 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 7a_100000211940_100012180447 [0,2,0,0,0,0|1,0,0]=3 6843 B16R2.5347 CC(CO)Nc1ccc2cccnc2c1 34a_100102887122_100012180447 [0,2,0,0,0,0|2,0,0]=4 6844 B16R2.5347 CC(CO)Nc1ccc2cnccc2c1 34a_100000039641_100012180447 [0,2,0,0,0,0|2,0,0]=4 6845 B16R2.5347 CC(CO)Nc1ccc2ncccc2c1 34a_100011198106_100012180447 [0,2,0,0,0,0|2,0,0]=4 6846 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 34a_100000185828_100012180447 [0,2,0,0,0,0|0,0,0]=2 6847 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 7a_100000185828_100012180447 [0,2,0,0,0,0|0,0,0]=2 6848 B16R2.5347 CC(CO)Oc1ccc2cccnc2c1 34a_100011216045_100012180447 [0,2,0,0,0,0|1,0,0]=3 6849 B16R2.5347 CC(CO)Oc1ccc2ccncc2c1 7a_100000752006_100012180447 [0,2,0,0,0,0|1,0,0]=3 6850 B16R2.5347 CC(CO)Oc1ccc2cnccc2c1 34a_100000046372_100012180447 [0,2,0,0,0,0|1,0,0]=3 6851 B16R2.5347 CC(CO)Oc1ccc2cnccc2c1 7a_100000046372_100012180447 [0,2,0,0,0,0|1,0,0]=3 6852 B16R2.5347 CC(CO)Oc1ccc2ncccc2c1 34a_100011215586_100012180447 [0,2,0,0,0,0|1,0,0]=3 6853 B16R2.5347 CC(CO)Oc1ccc2ncccc2c1 7a_100011215586_100012180447 [0,2,0,0,0,0|1,0,0]=3 6854 B16R2.5347 CC(CO)Oc1ccc2nccnc2c1 34a_100000694412_100012180447 [0,2,0,0,0,0|2,0,0]=4 6855 B16R2.5347 CC(CO)Oc1cnc2ccccc2c1 34a_100011934006_100012180447 [0,2,0,0,0,0|1,0,0]=3 6856 B16R2.5347 CC(CO)Oc1cnc2ccccc2c1 7a_100011934006_100012180447 [0,2,0,0,0,0|1,0,0]=3 6857 B16R2.5347 CC(CO)Sc1cc2ccccc2cn1 62a_100012180447_100000047361 [0,2,0,0,0,0|1,1,0]=4 6858 B16R2.5347 CC(CO)Sc1ccc2ccccc2c1 62a_100012180447_100000233703 [0,2,0,0,0,0|0,1,0]=3 6859 B16R2.5347 CC(CO)Sc1ccc2ccccc2n1 62a_100012180447_100011291633 [0,2,0,0,0,0|1,1,0]=4 6860 B16R2.5347 CC(CO)Sc1ccc2cccnc2c1 62a_100012180447_100009816655 [0,2,0,0,0,0|1,1,0]=4 6861 B16R2.5347 CC(CO)Sc1ccc2ccncc2c1 62a_100012180447_100000686496 [0,2,0,0,0,0|1,1,0]=4 6862 B16R2.5347 CC(CO)Sc1ccc2cnccc2c1 62a_100012180447_100009816743 [0,2,0,0,0,0|1,1,0]=4 6863 B16R2.5347 CC(CO)Sc1ccc2ncccc2c1 62a_100012180447_100011215947 [0,2,0,0,0,0|1,1,0]=4 6864 B16R2.5347 CC(CO)Sc1cnc2ccccc2c1 62a_100012180447_100000737414 [0,2,0,0,0,0|1,1,0]=4 6865 B16R2.5347 CCC(=O)Cc1cc2ccccc2cn1 1458a_100000210414_100009869231 [0,2,0,0,0,0|2,0,0]=4 6866 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [0,2,0,0,0,0|1,0,0]=3 6867 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [0,2,0,0,0,0|1,0,0]=3 6868 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 1458a_100000210414_100000737579 [0,2,0,0,0,0|2,0,0]=4 6869 B16R2.5347 CCC(=O)Cc1ccc2cnccc2c1 1458a_100000210414_100020605334 [0,2,0,0,0,0|2,0,0]=4 6870 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100000210414_100000703657 [0,2,0,0,0,0|2,0,0]=4 6871 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210202 [0,2,0,0,0,0|2,0,0]=4 6872 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [0,2,0,0,0,0|1,0,0]=3 6873 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [0,2,0,0,0,0|1,0,0]=3 6874 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [0,2,0,0,0,0|1,0,0]=3 6875 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [0,2,0,0,0,0|1,0,0]=3 6876 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000210414 [0,2,0,0,0,0|2,0,0]=4 6877 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000210414 [0,2,0,0,0,0|2,0,0]=4 6878 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000210414 [0,2,0,0,0,0|2,0,0]=4 6879 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000210414 [0,2,0,0,0,0|2,0,0]=4 6880 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100000210414 [0,2,0,0,0,0|2,0,0]=4 6881 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000210414 [0,2,0,0,0,0|2,0,0]=4 6882 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000210414 [0,2,0,0,0,0|2,0,0]=4 6883 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100000210414 [0,2,0,0,0,0|2,0,0]=4 6884 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100000210414 [0,2,0,0,0,0|2,0,0]=4 6885 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000210414 [0,2,0,0,0,0|2,0,0]=4 6886 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000210414 [0,2,0,0,0,0|2,0,0]=4 6887 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100000210414 [0,2,0,0,0,0|2,0,0]=4 6888 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000210414 [0,2,0,0,0,0|2,0,0]=4 6889 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000210414 [0,2,0,0,0,0|2,0,0]=4 6890 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000210414 [0,2,0,0,0,0|2,0,0]=4 6891 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000210414 [0,2,0,0,0,0|2,0,0]=4 6892 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100011215416 [0,2,0,0,0,0|1,0,0]=3 6893 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000758301 [0,2,0,0,0,0|1,0,0]=3 6894 B16R2.5347 CCC(C)Nc1ccc2cccnc2c1 34a_100102887122_100011215416 [0,2,0,0,0,0|2,0,0]=4 6895 B16R2.5347 CCC(C)Nc1ccc2cnccc2c1 34a_100000039641_100011215416 [0,2,0,0,0,0|2,0,0]=4 6896 B16R2.5347 CCC(C)Nc1ccc2ncccc2c1 34a_100011198106_100011215416 [0,2,0,0,0,0|2,0,0]=4 6897 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100011215416 [0,2,0,0,0,0|0,0,0]=2 6898 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000758301 [0,2,0,0,0,0|0,0,0]=2 6899 B16R2.5347 CCC(C)Oc1ccc2cccnc2c1 34a_100011216045_100011215416 [0,2,0,0,0,0|1,0,0]=3 6900 B16R2.5347 CCC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000758301 [0,2,0,0,0,0|1,0,0]=3 6901 B16R2.5347 CCC(C)Oc1ccc2cnccc2c1 34a_100000046372_100011215416 [0,2,0,0,0,0|1,0,0]=3 6902 B16R2.5347 CCC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000758301 [0,2,0,0,0,0|1,0,0]=3 6903 B16R2.5347 CCC(C)Oc1ccc2ncccc2c1 34a_100011215586_100011215416 [0,2,0,0,0,0|1,0,0]=3 6904 B16R2.5347 CCC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000758301 [0,2,0,0,0,0|1,0,0]=3 6905 B16R2.5347 CCC(C)Oc1ccc2nccnc2c1 34a_100000694412_100011215416 [0,2,0,0,0,0|2,0,0]=4 6906 B16R2.5347 CCC(C)Oc1cnc2ccccc2c1 34a_100011934006_100011215416 [0,2,0,0,0,0|1,0,0]=3 6907 B16R2.5347 CCC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000758301 [0,2,0,0,0,0|1,0,0]=3 6908 B16R2.5347 CCC(C)Sc1cc2ccccc2cn1 62a_100000758301_100000047361 [0,2,0,0,0,0|1,1,0]=4 6909 B16R2.5347 CCC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000758301 [0,2,0,0,0,0|1,1,0]=4 6910 B16R2.5347 CCC(C)Sc1ccc2ccccc2c1 62a_100000758301_100000233703 [0,2,0,0,0,0|0,1,0]=3 6911 B16R2.5347 CCC(C)Sc1ccc2ccccc2n1 62a_100000758301_100011291633 [0,2,0,0,0,0|1,1,0]=4 6912 B16R2.5347 CCC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000758301 [0,2,0,0,0,0|1,1,0]=4 6913 B16R2.5347 CCC(C)Sc1ccc2cccnc2c1 62a_100000758301_100009816655 [0,2,0,0,0,0|1,1,0]=4 6914 B16R2.5347 CCC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000758301 [0,2,0,0,0,0|1,1,0]=4 6915 B16R2.5347 CCC(C)Sc1ccc2ccncc2c1 62a_100000758301_100000686496 [0,2,0,0,0,0|1,1,0]=4 6916 B16R2.5347 CCC(C)Sc1ccc2cnccc2c1 62a_100000758301_100009816743 [0,2,0,0,0,0|1,1,0]=4 6917 B16R2.5347 CCC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000758301 [0,2,0,0,0,0|1,1,0]=4 6918 B16R2.5347 CCC(C)Sc1ccc2ncccc2c1 62a_100000758301_100011215947 [0,2,0,0,0,0|1,1,0]=4 6919 B16R2.5347 CCC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000758301 [0,2,0,0,0,0|1,1,0]=4 6920 B16R2.5347 CCC(C)Sc1cnc2ccccc2c1 62a_100000758301_100000737414 [0,2,0,0,0,0|1,1,0]=4 6921 B16R2.5347 CCN(C)Cc1cc2ccccc2cn1 2230a_100000225621_100009869231 [0,2,0,0,0,0|2,0,0]=4 6922 B16R2.5347 CCN(C)Cc1cc2ccccc2cn1 269982a_100000225621_100009869231 [0,2,0,0,0,0|2,0,0]=4 6923 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210202 [0,2,0,0,0,0|1,0,0]=3 6924 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000201282_200000210301 [0,2,0,0,0,0|1,0,0]=3 6925 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000225621_100011216711 [0,2,0,0,0,0|1,0,0]=3 6926 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000204670 [0,2,0,0,0,0|1,0,0]=3 6927 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000201282_200000210301 [0,2,0,0,0,0|1,0,0]=3 6928 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000225621_100011216711 [0,2,0,0,0,0|1,0,0]=3 6929 B16R2.5347 CCN(C)Cc1ccc2ccccc2n1 2230a_100000225621_100000737579 [0,2,0,0,0,0|2,0,0]=4 6930 B16R2.5347 CCN(C)Cc1ccc2cnccc2c1 2230a_100000225621_100020605334 [0,2,0,0,0,0|2,0,0]=4 6931 B16R2.5347 CCN(C)Cc1ccc2cnccc2c1 269982a_100000225621_100020605334 [0,2,0,0,0,0|2,0,0]=4 6932 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 2230a_100000207558_100000210202 [0,2,0,0,0,0|2,0,0]=4 6933 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 2230a_100000225621_100000703657 [0,2,0,0,0,0|2,0,0]=4 6934 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 269982a_100000207558_100000204670 [0,2,0,0,0,0|2,0,0]=4 6935 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 269982a_100000225621_100000703657 [0,2,0,0,0,0|2,0,0]=4 6936 B16R2.5347 CCN(C)Cc1cnc2ccccc2c1 2230a_100011875994_100000210202 [0,2,0,0,0,0|2,0,0]=4 6937 B16R2.5347 CCN(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000204670 [0,2,0,0,0,0|2,0,0]=4 6938 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 2230a_100000201282_200025704644 [0,2,0,0,0,0|1,0,0]=3 6939 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 269982a_100000201282_200025704644 [0,2,0,0,0,0|1,0,0]=3 6940 B16R2.5347 CN(CF)Cc1ccc2ccccc2c1 269982a_100000185194_100015361967 [0,2,0,0,0,0|2,0,0]=4 6941 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 11a_106832991635_100000181716 [0,2,0,0,0,0|1,0,1]=4 6942 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 1626a_100102657272_100000181716 [0,2,0,0,0,0|1,0,1]=4 6943 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 240690a_100102657272_100000181716 [0,2,0,0,0,0|1,0,1]=4 6944 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 527a_100102657272_100000181716 [0,2,0,0,0,0|1,0,1]=4 6945 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100102657272 [0,2,0,0,0,0|1,0,1]=4 6946 B16R2.5347 CNC(C)Cc1ccc2ccccc2n1 270004a_106832991635_100011245913 [0,2,0,0,0,0|2,0,0]=4 6947 B16R2.5347 COC(C)Sc1cc2ccccc2cn1 62a_100009816522_100009879195 [0,2,0,0,0,0|1,1,0]=4 6948 B16R2.5347 COC(C)Sc1cc2ccccc2cn1 62a_100009879195_100000047361 [0,2,0,0,0,0|1,1,0]=4 6949 B16R2.5347 COC(C)Sc1ccc2ccccc2c1 62a_100009879195_100000233703 [0,2,0,0,0,0|0,1,0]=3 6950 B16R2.5347 COC(C)Sc1ccc2ccccc2n1 62a_100009879195_100011291633 [0,2,0,0,0,0|1,1,0]=4 6951 B16R2.5347 COC(C)Sc1ccc2ccccc2n1 62a_100011291633_100009879195 [0,2,0,0,0,0|1,1,0]=4 6952 B16R2.5347 COC(C)Sc1ccc2cccnc2c1 62a_100009879195_100009816655 [0,2,0,0,0,0|1,1,0]=4 6953 B16R2.5347 COC(C)Sc1ccc2ccncc2c1 62a_100000686496_100009879195 [0,2,0,0,0,0|1,1,0]=4 6954 B16R2.5347 COC(C)Sc1ccc2ccncc2c1 62a_100009879195_100000686496 [0,2,0,0,0,0|1,1,0]=4 6955 B16R2.5347 COC(C)Sc1ccc2cnccc2c1 62a_100009816743_100009879195 [0,2,0,0,0,0|1,1,0]=4 6956 B16R2.5347 COC(C)Sc1ccc2cnccc2c1 62a_100009879195_100009816743 [0,2,0,0,0,0|1,1,0]=4 6957 B16R2.5347 COC(C)Sc1ccc2ncccc2c1 62a_100009879195_100011215947 [0,2,0,0,0,0|1,1,0]=4 6958 B16R2.5347 COC(C)Sc1ccc2ncccc2c1 62a_100011215947_100009879195 [0,2,0,0,0,0|1,1,0]=4 6959 B16R2.5347 COC(C)Sc1cnc2ccccc2c1 62a_100009879195_100000737414 [0,2,0,0,0,0|1,1,0]=4 6960 B16R2.5347 C[C@H](CF)Nc1ccc2ccccc2n1 27a_100102880703_100011291633 [0,2,0,0,0,0|2,0,0]=4 6961 B16R2.5347 C[C@H](CO)Nc1ccc2ccccc2n1 27a_100000737577_100011291633 [0,2,0,0,0,0|2,0,0]=4 6962 B16R2.5347 C[C@H](CO)Sc1cc2ccccc2cn1 62a_100009816522_100016084084 [0,2,0,0,0,0|1,1,0]=4 6963 B16R2.5347 C[C@H](CO)Sc1cc2ccccc2cn1 62a_100016084084_100000047361 [0,2,0,0,0,0|1,1,0]=4 6964 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2c1 62a_100016084084_100000233703 [0,2,0,0,0,0|0,1,0]=3 6965 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2n1 62a_100011291633_100016084084 [0,2,0,0,0,0|1,1,0]=4 6966 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2n1 62a_100016084084_100011291633 [0,2,0,0,0,0|1,1,0]=4 6967 B16R2.5347 C[C@H](CO)Sc1ccc2cccnc2c1 62a_100016084084_100009816655 [0,2,0,0,0,0|1,1,0]=4 6968 B16R2.5347 C[C@H](CO)Sc1ccc2ccncc2c1 62a_100000686496_100016084084 [0,2,0,0,0,0|1,1,0]=4 6969 B16R2.5347 C[C@H](CO)Sc1ccc2ccncc2c1 62a_100016084084_100000686496 [0,2,0,0,0,0|1,1,0]=4 6970 B16R2.5347 C[C@H](CO)Sc1ccc2cnccc2c1 62a_100009816743_100016084084 [0,2,0,0,0,0|1,1,0]=4 6971 B16R2.5347 C[C@H](CO)Sc1ccc2cnccc2c1 62a_100016084084_100009816743 [0,2,0,0,0,0|1,1,0]=4 6972 B16R2.5347 C[C@H](CO)Sc1ccc2ncccc2c1 62a_100011215947_100016084084 [0,2,0,0,0,0|1,1,0]=4 6973 B16R2.5347 C[C@H](CO)Sc1ccc2ncccc2c1 62a_100016084084_100011215947 [0,2,0,0,0,0|1,1,0]=4 6974 B16R2.5347 C[C@H](CO)Sc1cnc2ccccc2c1 62a_100016084084_100000737414 [0,2,0,0,0,0|1,1,0]=4 6975 B16R2.5347 N#CC(F)Sc1ccc2ccccc2c1 62a_200000117898_100000233703 [0,2,0,0,0,0|0,1,1]=4 6976 B16R2.5347 O=C(CF)Cc1ccc2ccccc2c1 1458a_100000181716_100015361967 [0,2,0,0,0,0|1,0,1]=4 6977 B16R2.5347 O=C(CO)Cc1ccc2ccccc2c1 1458a_100000210174_100011216711 [0,2,0,0,0,0|1,0,1]=4 6978 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 22a_100000211940_100000210174 [0,2,0,0,0,0|1,0,1]=4 6979 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 527a_100000211940_100000210174 [0,2,0,0,0,0|1,0,1]=4 6980 B16R2.30336 C#CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000184674 [0,2,0,0,0,0|1,0,1]=4 6981 B16R2.30336 C#CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000038162 [0,2,0,0,0,0|1,0,1]=4 6982 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000184674 [0,2,0,0,0,0|0,0,1]=3 6983 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000038162 [0,2,0,0,0,0|0,0,1]=3 6984 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000184674 [0,2,0,0,0,0|0,0,1]=3 6985 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000038162 [0,2,0,0,0,0|0,0,1]=3 6986 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000184674 [0,2,0,0,0,0|0,0,1]=3 6987 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000038162 [0,2,0,0,0,0|0,0,1]=3 6988 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000184674 [0,2,0,0,0,0|0,0,1]=3 6989 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000038162 [0,2,0,0,0,0|0,0,1]=3 6990 B16R2.30336 C#CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000184674 [0,2,0,0,0,0|1,0,1]=4 6991 B16R2.30336 C#CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000038162 [0,2,0,0,0,0|1,0,1]=4 6992 B16R2.30336 C#CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000184674 [0,2,0,0,0,0|1,0,1]=4 6993 B16R2.30336 C#CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000038162 [0,2,0,0,0,0|1,0,1]=4 6994 B16R2.30336 C#CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000184674 [0,2,0,0,0,0|1,0,1]=4 6995 B16R2.30336 C#CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000038162 [0,2,0,0,0,0|1,0,1]=4 6996 B16R2.30336 C#CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000184674 [0,2,0,0,0,0|1,0,1]=4 6997 B16R2.30336 C#CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000038162 [0,2,0,0,0,0|1,0,1]=4 6998 B16R2.30336 C#CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000184674 [0,2,0,0,0,0|1,0,1]=4 6999 B16R2.30336 C#CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000038162 [0,2,0,0,0,0|1,0,1]=4 7000 B16R2.30336 C#CCSc1ccc2cc(ccc2c1)Br 62a_100000038162_100012344972 [0,2,0,0,0,0|0,1,1]=4 7001 B16R2.30336 C#CCSc1ccc2cc(ccc2c1)F 62a_100000038162_100009817052 [0,2,0,0,0,0|0,1,1]=4 7002 B16R2.30336 C#CCSc1ccc2cc(ccc2c1)N 62a_100000038162_100000185457 [0,2,0,0,0,0|0,1,1]=4 7003 B16R2.30336 C#CCSc1ccc2cc(ccc2c1)O 62a_100000038162_100000185455 [0,2,0,0,0,0|0,1,1]=4 7004 B16R2.30336 C=CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015514636 [0,2,0,0,0,0|1,0,1]=4 7005 B16R2.30336 C=CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015514636 [0,2,0,0,0,0|1,0,1]=4 7006 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015514636 [0,2,0,0,0,0|0,0,1]=3 7007 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015514636 [0,2,0,0,0,0|0,0,1]=3 7008 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100015514636 [0,2,0,0,0,0|0,0,1]=3 7009 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100015514636 [0,2,0,0,0,0|0,0,1]=3 7010 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015514636 [0,2,0,0,0,0|0,0,1]=3 7011 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015514636 [0,2,0,0,0,0|0,0,1]=3 7012 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015514636 [0,2,0,0,0,0|0,0,1]=3 7013 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015514636 [0,2,0,0,0,0|0,0,1]=3 7014 B16R2.30336 C=CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100015514636 [0,2,0,0,0,0|1,0,1]=4 7015 B16R2.30336 C=CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100015514636 [0,2,0,0,0,0|1,0,1]=4 7016 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100015514636 [0,2,0,0,0,0|1,0,1]=4 7017 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100015514636 [0,2,0,0,0,0|1,0,1]=4 7018 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015514636 [0,2,0,0,0,0|1,0,1]=4 7019 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015514636 [0,2,0,0,0,0|1,0,1]=4 7020 B16R2.30336 C=CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100015514636 [0,2,0,0,0,0|1,0,1]=4 7021 B16R2.30336 C=CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100015514636 [0,2,0,0,0,0|1,0,1]=4 7022 B16R2.30336 C=CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100015514636 [0,2,0,0,0,0|1,0,1]=4 7023 B16R2.30336 C=CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100015514636 [0,2,0,0,0,0|1,0,1]=4 7024 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)Br 62a_100000210623_100012344972 [0,2,0,0,0,0|0,1,1]=4 7025 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210623 [0,2,0,0,0,0|0,1,1]=4 7026 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)F 62a_100000210623_100009817052 [0,2,0,0,0,0|0,1,1]=4 7027 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210623 [0,2,0,0,0,0|0,1,1]=4 7028 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210623 [0,2,0,0,0,0|0,1,1]=4 7029 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)N 62a_100000210623_100000185457 [0,2,0,0,0,0|0,1,1]=4 7030 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)O 62a_100000210623_100000185455 [0,2,0,0,0,0|0,1,1]=4 7031 B16R2.30336 CCCCc1ccc2[nH]c(=O)ccc2c1 271570a_100020621405_100011934725 [0,2,0,0,0,0|2,0,0]=4 7032 B16R2.30336 CCCCc1ccc2c[n+](ccc2c1)C 271570a_100020621405_100015191232 [0,2,0,0,0,0|2,0,0]=4 7033 B16R2.30336 CCCCc1ccc2cc(ccc2c1)Br 271570a_100020621405_100012344972 [0,2,0,0,0,0|1,0,0]=3 7034 B16R2.30336 CCCCc1ccc2cc(ccc2c1)F 271570a_100020621405_100009817052 [0,2,0,0,0,0|1,0,0]=3 7035 B16R2.30336 CCCCc1ccc2cc(ccc2c1)N 271570a_100020621405_100000185457 [0,2,0,0,0,0|1,0,0]=3 7036 B16R2.30336 CCCCc1ccc2cc(ccc2c1)O 271570a_100020621405_100000185455 [0,2,0,0,0,0|1,0,0]=3 7037 B16R2.30336 CCCCc1ccc2cc(ccc2n1)C 271570a_100020621405_100011865911 [0,2,0,0,0,0|2,0,0]=4 7038 B16R2.30336 CCCCc1ccc2cc(ccc2n1)F 271570a_100020621405_100011998705 [0,2,0,0,0,0|2,0,0]=4 7039 B16R2.30336 CCCCc1ccc2cc(ccc2n1)O 271570a_100020621405_100009849208 [0,2,0,0,0,0|2,0,0]=4 7040 B16R2.30336 CCCCc1ccc2cc(cnc2c1)Br 271570a_100020621405_200015509644 [0,2,0,0,0,0|2,0,0]=4 7041 B16R2.30336 CCCCc1ccc2cc(cnc2c1)C 271570a_100020621405_100010751441 [0,2,0,0,0,0|2,0,0]=4 7042 B16R2.30336 CCCCc1ccc2cc(cnc2c1)F 271570a_100020621405_100010751466 [0,2,0,0,0,0|2,0,0]=4 7043 B16R2.30336 CCCCc1ccc2cc(cnc2c1)N 271570a_100020621405_100010142226 [0,2,0,0,0,0|2,0,0]=4 7044 B16R2.30336 CCCCc1ccc2cc(ncc2c1)N 271570a_100020621405_100010232990 [0,2,0,0,0,0|2,0,0]=4 7045 B16R2.30336 CCCCc1ccc2nc(ccc2c1)C 271570a_100020621405_100000686635 [0,2,0,0,0,0|2,0,0]=4 7046 B16R2.30336 CCCCc1ccc2nc(ccc2c1)Cl 271570a_100020621405_200012034268 [0,2,0,0,0,0|2,0,0]=4 7047 B16R2.30336 CCCCc1ccc2nc(ccc2c1)N 271570a_100020621405_100011934619 [0,2,0,0,0,0|2,0,0]=4 7048 B16R2.30336 CCCCc1ccc2oc(=O)ccc2c1 271570a_100020621405_100009999946 [0,2,0,0,0,0|2,0,0]=4 7049 B16R2.30336 CCCCc1cnc2cc(ccc2c1)Cl 271570a_100020621405_100015716233 [0,2,0,0,0,0|2,0,0]=4 7050 B16R2.30336 CCCCc1cnc2cc(ccc2c1)N 271570a_100020621405_200010264087 [0,2,0,0,0,0|2,0,0]=4 7051 B16R2.30336 CCCCc1cnc2cc(ccc2c1)O 271570a_100020621405_200010153753 [0,2,0,0,0,0|2,0,0]=4 7052 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210303 [0,2,0,0,0,0|1,0,0]=3 7053 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210303 [0,2,0,0,0,0|1,0,0]=3 7054 B16R2.30336 CCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210303 [0,2,0,0,0,0|2,0,0]=4 7055 B16R2.30336 CCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210303 [0,2,0,0,0,0|2,0,0]=4 7056 B16R2.30336 CCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210303 [0,2,0,0,0,0|2,0,0]=4 7057 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210303 [0,2,0,0,0,0|0,0,0]=2 7058 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210303 [0,2,0,0,0,0|0,0,0]=2 7059 B16R2.30336 CCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210303 [0,2,0,0,0,0|0,0,0]=2 7060 B16R2.30336 CCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210303 [0,2,0,0,0,0|0,0,0]=2 7061 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210303 [0,2,0,0,0,0|0,0,0]=2 7062 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210303 [0,2,0,0,0,0|0,0,0]=2 7063 B16R2.30336 CCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210303 [0,2,0,0,0,0|0,0,0]=2 7064 B16R2.30336 CCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210303 [0,2,0,0,0,0|0,0,0]=2 7065 B16R2.30336 CCCOc1ccc2cc(ccc2c1)O 271570a_203496583355_200000170442 [0,2,0,0,0,0|0,0,0]=2 7066 B16R2.30336 CCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210303 [0,2,0,0,0,0|1,0,0]=3 7067 B16R2.30336 CCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210303 [0,2,0,0,0,0|1,0,0]=3 7068 B16R2.30336 CCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210303 [0,2,0,0,0,0|1,0,0]=3 7069 B16R2.30336 CCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210303 [0,2,0,0,0,0|1,0,0]=3 7070 B16R2.30336 CCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210303 [0,2,0,0,0,0|1,0,0]=3 7071 B16R2.30336 CCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210303 [0,2,0,0,0,0|1,0,0]=3 7072 B16R2.30336 CCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210303 [0,2,0,0,0,0|2,0,0]=4 7073 B16R2.30336 CCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210303 [0,2,0,0,0,0|1,0,0]=3 7074 B16R2.30336 CCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210303 [0,2,0,0,0,0|1,0,0]=3 7075 B16R2.30336 CCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210303 [0,2,0,0,0,0|1,0,0]=3 7076 B16R2.30336 CCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210303 [0,2,0,0,0,0|1,0,0]=3 7077 B16R2.30336 CCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210303_100011934725 [0,2,0,0,0,0|1,1,0]=4 7078 B16R2.30336 CCCSc1ccc2c[n+](ccc2c1)C 62a_100000210303_100015191232 [0,2,0,0,0,0|1,1,0]=4 7079 B16R2.30336 CCCSc1ccc2cc(ccc2c1)Br 62a_100000210303_100012344972 [0,2,0,0,0,0|0,1,0]=3 7080 B16R2.30336 CCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210303 [0,2,0,0,0,0|0,1,0]=3 7081 B16R2.30336 CCCSc1ccc2cc(ccc2c1)F 62a_100000210303_100009817052 [0,2,0,0,0,0|0,1,0]=3 7082 B16R2.30336 CCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210303 [0,2,0,0,0,0|0,1,0]=3 7083 B16R2.30336 CCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210303 [0,2,0,0,0,0|0,1,0]=3 7084 B16R2.30336 CCCSc1ccc2cc(ccc2c1)N 62a_100000210303_100000185457 [0,2,0,0,0,0|0,1,0]=3 7085 B16R2.30336 CCCSc1ccc2cc(ccc2c1)O 62a_100000210303_100000185455 [0,2,0,0,0,0|0,1,0]=3 7086 B16R2.30336 CCCSc1ccc2cc(ccc2n1)C 62a_100000210303_100011865911 [0,2,0,0,0,0|1,1,0]=4 7087 B16R2.30336 CCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210303 [0,2,0,0,0,0|1,1,0]=4 7088 B16R2.30336 CCCSc1ccc2cc(ccc2n1)F 62a_100000210303_100011998705 [0,2,0,0,0,0|1,1,0]=4 7089 B16R2.30336 CCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210303 [0,2,0,0,0,0|1,1,0]=4 7090 B16R2.30336 CCCSc1ccc2cc(ccc2n1)O 62a_100000210303_100009849208 [0,2,0,0,0,0|1,1,0]=4 7091 B16R2.30336 CCCSc1ccc2cc(cnc2c1)Br 62a_100000210303_200015509644 [0,2,0,0,0,0|1,1,0]=4 7092 B16R2.30336 CCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210303 [0,2,0,0,0,0|1,1,0]=4 7093 B16R2.30336 CCCSc1ccc2cc(cnc2c1)C 62a_100000210303_100010751441 [0,2,0,0,0,0|1,1,0]=4 7094 B16R2.30336 CCCSc1ccc2cc(cnc2c1)F 62a_100000210303_100010751466 [0,2,0,0,0,0|1,1,0]=4 7095 B16R2.30336 CCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210303 [0,2,0,0,0,0|1,1,0]=4 7096 B16R2.30336 CCCSc1ccc2cc(cnc2c1)N 62a_100000210303_100010142226 [0,2,0,0,0,0|1,1,0]=4 7097 B16R2.30336 CCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210303 [0,2,0,0,0,0|1,1,0]=4 7098 B16R2.30336 CCCSc1ccc2cc(ncc2c1)N 62a_100000210303_100010232990 [0,2,0,0,0,0|1,1,0]=4 7099 B16R2.30336 CCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210303 [0,2,0,0,0,0|1,1,0]=4 7100 B16R2.30336 CCCSc1ccc2nc(ccc2c1)C 62a_100000210303_100000686635 [0,2,0,0,0,0|1,1,0]=4 7101 B16R2.30336 CCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210303 [0,2,0,0,0,0|1,1,0]=4 7102 B16R2.30336 CCCSc1ccc2nc(ccc2c1)Cl 62a_100000210303_200012034268 [0,2,0,0,0,0|1,1,0]=4 7103 B16R2.30336 CCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210303 [0,2,0,0,0,0|1,1,0]=4 7104 B16R2.30336 CCCSc1ccc2oc(=O)ccc2c1 62a_100000210303_100009999946 [0,2,0,0,0,0|1,1,0]=4 7105 B16R2.30336 CCCSc1cnc2cc(ccc2c1)Cl 62a_100000210303_100015716233 [0,2,0,0,0,0|1,1,0]=4 7106 B16R2.30336 CCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210303 [0,2,0,0,0,0|1,1,0]=4 7107 B16R2.30336 CCCSc1cnc2cc(ccc2c1)N 62a_100000210303_200010264087 [0,2,0,0,0,0|1,1,0]=4 7108 B16R2.30336 CCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210303 [0,2,0,0,0,0|1,1,0]=4 7109 B16R2.30336 CCCSc1cnc2cc(ccc2c1)O 62a_100000210303_200010153753 [0,2,0,0,0,0|1,1,0]=4 7110 B16R2.30336 CCNCc1cc2ccc(cc2cn1)Cl 2230a_100015525214_200010408301 [0,2,0,0,0,0|2,0,0]=4 7111 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 207a_100015525214_100012356508 [0,2,0,0,0,0|1,0,0]=3 7112 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 2230a_100015525214_100012356510 [0,2,0,0,0,0|1,0,0]=3 7113 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 270004a_100015525214_100012356508 [0,2,0,0,0,0|1,0,0]=3 7114 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 207a_100015525214_100000067190 [0,2,0,0,0,0|1,0,0]=3 7115 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 270004a_100015525214_100000067190 [0,2,0,0,0,0|1,0,0]=3 7116 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210202 [0,2,0,0,0,0|1,0,0]=3 7117 B16R2.30336 CCNCc1ccc2cc(ccc2n1)C 2230a_100015525214_100009884411 [0,2,0,0,0,0|2,0,0]=4 7118 B16R2.30336 CCNCc1ccc2cc(ccc2n1)Cl 207a_100015525214_100000059782 [0,2,0,0,0,0|2,0,0]=4 7119 B16R2.30336 CCNCc1ccc2cc(ccc2n1)Cl 270004a_100015525214_100000059782 [0,2,0,0,0,0|2,0,0]=4 7120 B16R2.30336 CCNCc1ccc2cc(ccc2n1)F 207a_100015525214_100000068074 [0,2,0,0,0,0|2,0,0]=4 7121 B16R2.30336 CCNCc1ccc2cc(ccc2n1)F 270004a_100015525214_100000068074 [0,2,0,0,0,0|2,0,0]=4 7122 B16R2.30336 CCNCc1ccc2cc(cnc2c1)Br 207a_100015525214_100010114372 [0,2,0,0,0,0|2,0,0]=4 7123 B16R2.30336 CCNCc1ccc2cc(cnc2c1)Br 270004a_100015525214_100010114372 [0,2,0,0,0,0|2,0,0]=4 7124 B16R2.30336 CCNCc1ccc2nc(ccc2c1)C 207a_100015525214_100000709793 [0,2,0,0,0,0|2,0,0]=4 7125 B16R2.30336 CCNCc1ccc2nc(ccc2c1)C 270004a_100015525214_100000709793 [0,2,0,0,0,0|2,0,0]=4 7126 B16R2.30336 CCNCc1ccc2nc(ccc2c1)Cl 270004a_100015525214_100000087602 [0,2,0,0,0,0|2,0,0]=4 7127 B16R2.30336 CCNCc1ccc2oc(=O)ccc2c1 2230a_100015525214_200010983872 [0,2,0,0,0,0|2,0,0]=4 7128 B16R2.30336 CCNCc1ccc2oc(=O)ccc2c1 270004a_100015525214_100000036638 [0,2,0,0,0,0|2,0,0]=4 7129 B16R2.30336 CCOCc1cc2ccc(cc2cn1)Cl 34a_100121572206_200010408301 [0,2,0,0,0,0|1,0,0]=3 7130 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210202 [0,2,0,0,0,0|0,0,0]=2 7131 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 34a_100121572206_100012356510 [0,2,0,0,0,0|0,0,0]=2 7132 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210202 [0,2,0,0,0,0|0,0,0]=2 7133 B16R2.30336 CCOCc1ccc2cc(ccc2n1)C 34a_100121572206_100009884411 [0,2,0,0,0,0|1,0,0]=3 7134 B16R2.30336 CCOCc1ccc2nc(ccc2c1)C 34a_100011934618_100000210202 [0,2,0,0,0,0|1,0,0]=3 7135 B16R2.30336 CCSCc1cc2ccc(cc2cn1)Cl 62a_100000210202_200010408301 [0,2,0,0,0,0|1,1,0]=4 7136 B16R2.30336 CCSCc1cc2ccc(cc2cn1)Cl 62a_200010408301_100000210202 [0,2,0,0,0,0|1,1,0]=4 7137 B16R2.30336 CCSCc1ccc2cc(ccc2c1)Br 62a_100000210202_100012356510 [0,2,0,0,0,0|0,1,0]=3 7138 B16R2.30336 CCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000210202 [0,2,0,0,0,0|0,1,0]=3 7139 B16R2.30336 CCSCc1ccc2cc(ccc2n1)C 62a_100000210202_100009884411 [0,2,0,0,0,0|1,1,0]=4 7140 B16R2.30336 CCSCc1ccc2cc(ccc2n1)C 62a_100009884411_100000210202 [0,2,0,0,0,0|1,1,0]=4 7141 B16R2.30336 CCSCc1ccc2oc(=O)ccc2c1 62a_100000210202_200010983872 [0,2,0,0,0,0|1,1,0]=4 7142 B16R2.30336 COCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000149268 [0,2,0,0,0,0|0,0,0]=2 7143 B16R2.30336 COCSc1ccc2[nH]c(=O)ccc2c1 62a_100000766300_100011934725 [0,2,0,0,0,0|1,1,0]=4 7144 B16R2.30336 COCSc1ccc2c[n+](ccc2c1)C 62a_100000766300_100015191232 [0,2,0,0,0,0|1,1,0]=4 7145 B16R2.30336 COCSc1ccc2cc(ccc2c1)Br 62a_100000766300_100012344972 [0,2,0,0,0,0|0,1,0]=3 7146 B16R2.30336 COCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000766300 [0,2,0,0,0,0|0,1,0]=3 7147 B16R2.30336 COCSc1ccc2cc(ccc2c1)F 62a_100000766300_100009817052 [0,2,0,0,0,0|0,1,0]=3 7148 B16R2.30336 COCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000766300 [0,2,0,0,0,0|0,1,0]=3 7149 B16R2.30336 COCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000766300 [0,2,0,0,0,0|0,1,0]=3 7150 B16R2.30336 COCSc1ccc2cc(ccc2c1)N 62a_100000766300_100000185457 [0,2,0,0,0,0|0,1,0]=3 7151 B16R2.30336 COCSc1ccc2cc(ccc2c1)O 62a_100000766300_100000185455 [0,2,0,0,0,0|0,1,0]=3 7152 B16R2.30336 COCSc1ccc2cc(ccc2n1)C 62a_100000766300_100011865911 [0,2,0,0,0,0|1,1,0]=4 7153 B16R2.30336 COCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000766300 [0,2,0,0,0,0|1,1,0]=4 7154 B16R2.30336 COCSc1ccc2cc(ccc2n1)F 62a_100000766300_100011998705 [0,2,0,0,0,0|1,1,0]=4 7155 B16R2.30336 COCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000766300 [0,2,0,0,0,0|1,1,0]=4 7156 B16R2.30336 COCSc1ccc2cc(ccc2n1)O 62a_100000766300_100009849208 [0,2,0,0,0,0|1,1,0]=4 7157 B16R2.30336 COCSc1ccc2cc(cnc2c1)Br 62a_100000766300_200015509644 [0,2,0,0,0,0|1,1,0]=4 7158 B16R2.30336 COCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000766300 [0,2,0,0,0,0|1,1,0]=4 7159 B16R2.30336 COCSc1ccc2cc(cnc2c1)C 62a_100000766300_100010751441 [0,2,0,0,0,0|1,1,0]=4 7160 B16R2.30336 COCSc1ccc2cc(cnc2c1)F 62a_100000766300_100010751466 [0,2,0,0,0,0|1,1,0]=4 7161 B16R2.30336 COCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000766300 [0,2,0,0,0,0|1,1,0]=4 7162 B16R2.30336 COCSc1ccc2cc(cnc2c1)N 62a_100000766300_100010142226 [0,2,0,0,0,0|1,1,0]=4 7163 B16R2.30336 COCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000766300 [0,2,0,0,0,0|1,1,0]=4 7164 B16R2.30336 COCSc1ccc2cc(ncc2c1)N 62a_100000766300_100010232990 [0,2,0,0,0,0|1,1,0]=4 7165 B16R2.30336 COCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000766300 [0,2,0,0,0,0|1,1,0]=4 7166 B16R2.30336 COCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000766300 [0,2,0,0,0,0|1,1,0]=4 7167 B16R2.30336 COCSc1ccc2nc(ccc2c1)C 62a_100000766300_100000686635 [0,2,0,0,0,0|1,1,0]=4 7168 B16R2.30336 COCSc1ccc2nc(ccc2c1)Cl 62a_100000766300_200012034268 [0,2,0,0,0,0|1,1,0]=4 7169 B16R2.30336 COCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000766300 [0,2,0,0,0,0|1,1,0]=4 7170 B16R2.30336 COCSc1ccc2oc(=O)ccc2c1 62a_100000766300_100009999946 [0,2,0,0,0,0|1,1,0]=4 7171 B16R2.30336 COCSc1cnc2cc(ccc2c1)Cl 62a_100000766300_100015716233 [0,2,0,0,0,0|1,1,0]=4 7172 B16R2.30336 COCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000766300 [0,2,0,0,0,0|1,1,0]=4 7173 B16R2.30336 COCSc1cnc2cc(ccc2c1)N 62a_100000766300_200010264087 [0,2,0,0,0,0|1,1,0]=4 7174 B16R2.30336 COCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000766300 [0,2,0,0,0,0|1,1,0]=4 7175 B16R2.30336 COCSc1cnc2cc(ccc2c1)O 62a_100000766300_200010153753 [0,2,0,0,0,0|1,1,0]=4 7176 B16R2.30336 CSCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011218213 [0,2,0,0,0,0|1,0,0]=3 7177 B16R2.30336 CSCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011218213 [0,2,0,0,0,0|2,0,0]=4 7178 B16R2.30336 CSCNc1ccc2nc(ccc2c1)C 34a_100011216442_100011218213 [0,2,0,0,0,0|2,0,0]=4 7179 B16R2.30336 CSCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218213 [0,2,0,0,0,0|0,0,0]=2 7180 B16R2.30336 CSCOc1ccc2cc(ccc2c1)C 34a_100000074090_100011218213 [0,2,0,0,0,0|0,0,0]=2 7181 B16R2.30336 CSCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218213 [0,2,0,0,0,0|0,0,0]=2 7182 B16R2.30336 CSCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011218213 [0,2,0,0,0,0|0,0,0]=2 7183 B16R2.30336 CSCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011218213 [0,2,0,0,0,0|1,0,0]=3 7184 B16R2.30336 CSCOc1ccc2nc(ccc2c1)C 34a_100000037634_100011218213 [0,2,0,0,0,0|1,0,0]=3 7185 B16R2.30336 CSCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011218213 [0,2,0,0,0,0|1,0,0]=3 7186 B16R2.30336 CSCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011218213 [0,2,0,0,0,0|2,0,0]=4 7187 B16R2.30336 CSCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100011218213 [0,2,0,0,0,0|1,0,0]=3 7188 B16R2.30336 CSCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011218213 [0,2,0,0,0,0|1,0,0]=3 7189 B16R2.30336 CSCSc1ccc2[nH]c(=O)ccc2c1 62a_100011218213_100011934725 [0,2,0,0,0,0|1,1,0]=4 7190 B16R2.30336 CSCSc1ccc2c[n+](ccc2c1)C 62a_100011218213_100015191232 [0,2,0,0,0,0|1,1,0]=4 7191 B16R2.30336 CSCSc1ccc2cc(ccc2c1)Br 62a_100011218213_100012344972 [0,2,0,0,0,0|0,1,0]=3 7192 B16R2.30336 CSCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011218213 [0,2,0,0,0,0|0,1,0]=3 7193 B16R2.30336 CSCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011218213 [0,2,0,0,0,0|0,1,0]=3 7194 B16R2.30336 CSCSc1ccc2cc(ccc2c1)F 62a_100011218213_100009817052 [0,2,0,0,0,0|0,1,0]=3 7195 B16R2.30336 CSCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011218213 [0,2,0,0,0,0|0,1,0]=3 7196 B16R2.30336 CSCSc1ccc2cc(ccc2c1)N 62a_100011218213_100000185457 [0,2,0,0,0,0|0,1,0]=3 7197 B16R2.30336 CSCSc1ccc2cc(ccc2c1)O 62a_100011218213_100000185455 [0,2,0,0,0,0|0,1,0]=3 7198 B16R2.30336 CSCSc1ccc2cc(ccc2n1)C 62a_100011218213_100011865911 [0,2,0,0,0,0|1,1,0]=4 7199 B16R2.30336 CSCSc1ccc2cc(ccc2n1)C 62a_200000181977_100011218213 [0,2,0,0,0,0|1,1,0]=4 7200 B16R2.30336 CSCSc1ccc2cc(ccc2n1)F 62a_100011218213_100011998705 [0,2,0,0,0,0|1,1,0]=4 7201 B16R2.30336 CSCSc1ccc2cc(ccc2n1)F 62a_200012355665_100011218213 [0,2,0,0,0,0|1,1,0]=4 7202 B16R2.30336 CSCSc1ccc2cc(ccc2n1)O 62a_100011218213_100009849208 [0,2,0,0,0,0|1,1,0]=4 7203 B16R2.30336 CSCSc1ccc2cc(cnc2c1)Br 62a_100011218213_200015509644 [0,2,0,0,0,0|1,1,0]=4 7204 B16R2.30336 CSCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011218213 [0,2,0,0,0,0|1,1,0]=4 7205 B16R2.30336 CSCSc1ccc2cc(cnc2c1)C 62a_100011218213_100010751441 [0,2,0,0,0,0|1,1,0]=4 7206 B16R2.30336 CSCSc1ccc2cc(cnc2c1)F 62a_100010751466_100011218213 [0,2,0,0,0,0|1,1,0]=4 7207 B16R2.30336 CSCSc1ccc2cc(cnc2c1)F 62a_100011218213_100010751466 [0,2,0,0,0,0|1,1,0]=4 7208 B16R2.30336 CSCSc1ccc2cc(cnc2c1)N 62a_100010142226_100011218213 [0,2,0,0,0,0|1,1,0]=4 7209 B16R2.30336 CSCSc1ccc2cc(cnc2c1)N 62a_100011218213_100010142226 [0,2,0,0,0,0|1,1,0]=4 7210 B16R2.30336 CSCSc1ccc2cc(ncc2c1)N 62a_100010232990_100011218213 [0,2,0,0,0,0|1,1,0]=4 7211 B16R2.30336 CSCSc1ccc2cc(ncc2c1)N 62a_100011218213_100010232990 [0,2,0,0,0,0|1,1,0]=4 7212 B16R2.30336 CSCSc1ccc2nc(ccc2c1)C 62a_100000686635_100011218213 [0,2,0,0,0,0|1,1,0]=4 7213 B16R2.30336 CSCSc1ccc2nc(ccc2c1)C 62a_100011218213_100000686635 [0,2,0,0,0,0|1,1,0]=4 7214 B16R2.30336 CSCSc1ccc2nc(ccc2c1)Cl 62a_100011218213_200012034268 [0,2,0,0,0,0|1,1,0]=4 7215 B16R2.30336 CSCSc1ccc2nc(ccc2c1)N 62a_100011934619_100011218213 [0,2,0,0,0,0|1,1,0]=4 7216 B16R2.30336 CSCSc1ccc2oc(=O)ccc2c1 62a_100011218213_100009999946 [0,2,0,0,0,0|1,1,0]=4 7217 B16R2.30336 CSCSc1cnc2cc(ccc2c1)Cl 62a_100011218213_100015716233 [0,2,0,0,0,0|1,1,0]=4 7218 B16R2.30336 CSCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011218213 [0,2,0,0,0,0|1,1,0]=4 7219 B16R2.30336 CSCSc1cnc2cc(ccc2c1)N 62a_100011218213_200010264087 [0,2,0,0,0,0|1,1,0]=4 7220 B16R2.30336 CSCSc1cnc2cc(ccc2c1)N 62a_200010264087_100011218213 [0,2,0,0,0,0|1,1,0]=4 7221 B16R2.30336 CSCSc1cnc2cc(ccc2c1)O 62a_100011218213_200010153753 [0,2,0,0,0,0|1,1,0]=4 7222 B16R2.30336 C[n+]1ccc2cc(ccc2c1)SCCF 62a_100011217306_100015191232 [0,2,0,0,0,0|1,1,0]=4 7223 B16R2.30336 C[n+]1ccc2cc(ccc2c1)SCCO 62a_100000211926_100015191232 [0,2,0,0,0,0|1,1,0]=4 7224 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC#N 7a_100000074090_100011215382 [0,2,0,0,0,0|0,0,1]=3 7225 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 34a_100000074090_200009817547 [0,2,0,0,0,0|0,0,1]=3 7226 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 7a_100000074090_200015260668 [0,2,0,0,0,0|0,0,1]=3 7227 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCF 34a_100000074090_100011217306 [0,2,0,0,0,0|0,0,0]=2 7228 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCF 7a_100000074090_100011217306 [0,2,0,0,0,0|0,0,0]=2 7229 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 34a_100000074090_100000211926 [0,2,0,0,0,0|0,0,0]=2 7230 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 7a_100000074090_100000211926 [0,2,0,0,0,0|0,0,0]=2 7231 B16R2.30336 Cc1ccc2cc(ccc2n1)COCF 34a_100011934618_100015361967 [0,2,0,0,0,0|2,0,0]=4 7232 B16R2.30336 Cc1ccc2cc(ccc2n1)NCCF 34a_100011216442_100011217306 [0,2,0,0,0,0|2,0,0]=4 7233 B16R2.30336 Cc1ccc2cc(ccc2n1)NCCO 34a_100011216442_100000211926 [0,2,0,0,0,0|2,0,0]=4 7234 B16R2.30336 Cc1ccc2cc(ccc2n1)OCC#N 7a_100000037634_100011215382 [0,2,0,0,0,0|1,0,1]=4 7235 B16R2.30336 Cc1ccc2cc(ccc2n1)OCC=O 34a_100000037634_200009817547 [0,2,0,0,0,0|1,0,1]=4 7236 B16R2.30336 Cc1ccc2cc(ccc2n1)OCC=O 7a_100000037634_200015260668 [0,2,0,0,0,0|1,0,1]=4 7237 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCF 34a_100000037634_100011217306 [0,2,0,0,0,0|1,0,0]=3 7238 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCF 7a_100000037634_100011217306 [0,2,0,0,0,0|1,0,0]=3 7239 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCO 34a_100000037634_100000211926 [0,2,0,0,0,0|1,0,0]=3 7240 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCO 7a_100000037634_100000211926 [0,2,0,0,0,0|1,0,0]=3 7241 B16R2.30336 Cc1ccc2cc(ccc2n1)SCCF 62a_100000686635_100011217306 [0,2,0,0,0,0|1,1,0]=4 7242 B16R2.30336 Cc1ccc2cc(ccc2n1)SCCF 62a_100011217306_100000686635 [0,2,0,0,0,0|1,1,0]=4 7243 B16R2.30336 Cc1ccc2cc(ccc2n1)SCCO 62a_100000211926_100000686635 [0,2,0,0,0,0|1,1,0]=4 7244 B16R2.30336 Cc1ccc2cc(ccc2n1)SCCO 62a_100000686635_100000211926 [0,2,0,0,0,0|1,1,0]=4 7245 B16R2.30336 Cc1ccc2nc(ccc2c1)NCCO 27a_100000210304_100011865911 [0,2,0,0,0,0|2,0,0]=4 7246 B16R2.30336 Cc1ccc2nc(ccc2c1)SCCF 62a_100011217306_100011865911 [0,2,0,0,0,0|1,1,0]=4 7247 B16R2.30336 Cc1ccc2nc(ccc2c1)SCCF 62a_200000181977_100011217306 [0,2,0,0,0,0|1,1,0]=4 7248 B16R2.30336 Cc1ccc2nc(ccc2c1)SCCO 62a_100000211926_100011865911 [0,2,0,0,0,0|1,1,0]=4 7249 B16R2.30336 Cc1ccc2nc(ccc2c1)SCCO 62a_200000181977_100000211926 [0,2,0,0,0,0|1,1,0]=4 7250 B16R2.30336 Cc1cnc2cc(ccc2c1)SCCF 62a_100011217306_100010751441 [0,2,0,0,0,0|1,1,0]=4 7251 B16R2.30336 Cc1cnc2cc(ccc2c1)SCCO 62a_100000211926_100010751441 [0,2,0,0,0,0|1,1,0]=4 7252 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011217306 [0,2,0,0,0,0|1,0,0]=3 7253 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011217306 [0,2,0,0,0,0|1,0,0]=3 7254 B16R2.30336 FCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011217306 [0,2,0,0,0,0|2,0,0]=4 7255 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011217306 [0,2,0,0,0,0|0,0,0]=2 7256 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011217306 [0,2,0,0,0,0|0,0,0]=2 7257 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011217306 [0,2,0,0,0,0|0,0,0]=2 7258 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011217306 [0,2,0,0,0,0|0,0,0]=2 7259 B16R2.30336 FCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011217306 [0,2,0,0,0,0|0,0,0]=2 7260 B16R2.30336 FCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011217306 [0,2,0,0,0,0|0,0,0]=2 7261 B16R2.30336 FCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011217306 [0,2,0,0,0,0|1,0,0]=3 7262 B16R2.30336 FCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011217306 [0,2,0,0,0,0|1,0,0]=3 7263 B16R2.30336 FCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011217306 [0,2,0,0,0,0|1,0,0]=3 7264 B16R2.30336 FCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011217306 [0,2,0,0,0,0|1,0,0]=3 7265 B16R2.30336 FCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011217306 [0,2,0,0,0,0|2,0,0]=4 7266 B16R2.30336 FCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011217306 [0,2,0,0,0,0|1,0,0]=3 7267 B16R2.30336 FCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011217306 [0,2,0,0,0,0|1,0,0]=3 7268 B16R2.30336 FCCSc1ccc2cc(ccc2c1)Br 62a_100011217306_100012344972 [0,2,0,0,0,0|0,1,0]=3 7269 B16R2.30336 FCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011217306 [0,2,0,0,0,0|0,1,0]=3 7270 B16R2.30336 FCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011217306 [0,2,0,0,0,0|0,1,0]=3 7271 B16R2.30336 FCCSc1ccc2cc(ccc2c1)F 62a_100011217306_100009817052 [0,2,0,0,0,0|0,1,0]=3 7272 B16R2.30336 FCCSc1ccc2cc(ccc2n1)F 62a_100011217306_100011998705 [0,2,0,0,0,0|1,1,0]=4 7273 B16R2.30336 FCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100011217306 [0,2,0,0,0,0|1,1,0]=4 7274 B16R2.30336 FCCSc1ccc2cc(cnc2c1)Br 62a_100011217306_200015509644 [0,2,0,0,0,0|1,1,0]=4 7275 B16R2.30336 FCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011217306 [0,2,0,0,0,0|1,1,0]=4 7276 B16R2.30336 FCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100011217306 [0,2,0,0,0,0|1,1,0]=4 7277 B16R2.30336 FCCSc1ccc2cc(cnc2c1)F 62a_100011217306_100010751466 [0,2,0,0,0,0|1,1,0]=4 7278 B16R2.30336 FCCSc1ccc2nc(ccc2c1)Cl 62a_100011217306_200012034268 [0,2,0,0,0,0|1,1,0]=4 7279 B16R2.30336 FCCSc1cnc2cc(ccc2c1)Cl 62a_100011217306_100015716233 [0,2,0,0,0,0|1,1,0]=4 7280 B16R2.30336 FCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011217306 [0,2,0,0,0,0|1,1,0]=4 7281 B16R2.30336 FCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100015361967 [0,2,0,0,0,0|1,0,0]=3 7282 B16R2.30336 FCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100015361967 [0,2,0,0,0,0|1,0,0]=3 7283 B16R2.30336 FCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100015361967 [0,2,0,0,0,0|1,1,0]=4 7284 B16R2.30336 FCSCc1ccc2cc(ccc2c1)Br 62a_100015361967_100012356510 [0,2,0,0,0,0|1,1,0]=4 7285 B16R2.30336 N#CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011215382 [0,2,0,0,0,0|1,0,1]=4 7286 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215382 [0,2,0,0,0,0|0,0,1]=3 7287 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215382 [0,2,0,0,0,0|0,0,1]=3 7288 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215382 [0,2,0,0,0,0|0,0,1]=3 7289 B16R2.30336 N#CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011215382 [0,2,0,0,0,0|1,0,1]=4 7290 B16R2.30336 N#CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011215382 [0,2,0,0,0,0|1,0,1]=4 7291 B16R2.30336 N#CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100011215382 [0,2,0,0,0,0|1,0,1]=4 7292 B16R2.30336 N#CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011215382 [0,2,0,0,0,0|1,0,1]=4 7293 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)Br 62a_100011215382_100012344972 [0,2,0,0,0,0|0,1,1]=4 7294 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011215382 [0,2,0,0,0,0|0,1,1]=4 7295 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011215382 [0,2,0,0,0,0|0,1,1]=4 7296 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)F 62a_100011215382_100009817052 [0,2,0,0,0,0|0,1,1]=4 7297 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011215382 [0,2,0,0,0,0|0,1,1]=4 7298 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)N 62a_100011215382_100000185457 [0,2,0,0,0,0|0,1,1]=4 7299 B16R2.30336 N#CCSc1ccc2cc(ccc2c1)O 62a_100011215382_100000185455 [0,2,0,0,0,0|0,1,1]=4 7300 B16R2.30336 Nc1cc2ccc(cc2cn1)SCCF 62a_100010232990_100011217306 [0,2,0,0,0,0|1,1,0]=4 7301 B16R2.30336 Nc1cc2ccc(cc2cn1)SCCF 62a_100011217306_100010232990 [0,2,0,0,0,0|1,1,0]=4 7302 B16R2.30336 Nc1cc2ccc(cc2cn1)SCCO 62a_100000211926_100010232990 [0,2,0,0,0,0|1,1,0]=4 7303 B16R2.30336 Nc1cc2ccc(cc2cn1)SCCO 62a_100010232990_100000211926 [0,2,0,0,0,0|1,1,0]=4 7304 B16R2.30336 Nc1ccc2cc(ccc2c1)SCC=O 62a_100000185457_200015260668 [0,2,0,0,0,0|0,1,1]=4 7305 B16R2.30336 Nc1ccc2cc(ccc2c1)SCC=O 62a_200015260668_100000185457 [0,2,0,0,0,0|0,1,1]=4 7306 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCF 62a_100000185457_100011217306 [0,2,0,0,0,0|0,1,0]=3 7307 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCF 62a_100011217306_100000185457 [0,2,0,0,0,0|0,1,0]=3 7308 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000185457_100000211926 [0,2,0,0,0,0|0,1,0]=3 7309 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000211926_100000185457 [0,2,0,0,0,0|0,1,0]=3 7310 B16R2.30336 Nc1ccc2cc(ccc2n1)SCCF 62a_100011934619_100011217306 [0,2,0,0,0,0|1,1,0]=4 7311 B16R2.30336 Nc1ccc2cc(ccc2n1)SCCO 62a_100011934619_100000211926 [0,2,0,0,0,0|1,1,0]=4 7312 B16R2.30336 Nc1ccc2cc(cnc2c1)SCCF 62a_100011217306_200010264087 [0,2,0,0,0,0|1,1,0]=4 7313 B16R2.30336 Nc1ccc2cc(cnc2c1)SCCF 62a_200010264087_100011217306 [0,2,0,0,0,0|1,1,0]=4 7314 B16R2.30336 Nc1ccc2cc(cnc2c1)SCCO 62a_100000211926_200010264087 [0,2,0,0,0,0|1,1,0]=4 7315 B16R2.30336 Nc1ccc2cc(cnc2c1)SCCO 62a_200010264087_100000211926 [0,2,0,0,0,0|1,1,0]=4 7316 B16R2.30336 Nc1cnc2cc(ccc2c1)SCCF 62a_100010142226_100011217306 [0,2,0,0,0,0|1,1,0]=4 7317 B16R2.30336 Nc1cnc2cc(ccc2c1)SCCF 62a_100011217306_100010142226 [0,2,0,0,0,0|1,1,0]=4 7318 B16R2.30336 Nc1cnc2cc(ccc2c1)SCCO 62a_100000211926_100010142226 [0,2,0,0,0,0|1,1,0]=4 7319 B16R2.30336 Nc1cnc2cc(ccc2c1)SCCO 62a_100010142226_100000211926 [0,2,0,0,0,0|1,1,0]=4 7320 B16R2.30336 O=CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_200009817547 [0,2,0,0,0,0|1,0,1]=4 7321 B16R2.30336 O=CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_200015260668 [0,2,0,0,0,0|1,0,1]=4 7322 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_200009817547 [0,2,0,0,0,0|0,0,1]=3 7323 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_200015260668 [0,2,0,0,0,0|0,0,1]=3 7324 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_200009817547 [0,2,0,0,0,0|0,0,1]=3 7325 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_200015260668 [0,2,0,0,0,0|0,0,1]=3 7326 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_200009817547 [0,2,0,0,0,0|0,0,1]=3 7327 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_200015260668 [0,2,0,0,0,0|0,0,1]=3 7328 B16R2.30336 O=CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_200009817547 [0,2,0,0,0,0|1,0,1]=4 7329 B16R2.30336 O=CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_200015260668 [0,2,0,0,0,0|1,0,1]=4 7330 B16R2.30336 O=CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_200009817547 [0,2,0,0,0,0|1,0,1]=4 7331 B16R2.30336 O=CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_200015260668 [0,2,0,0,0,0|1,0,1]=4 7332 B16R2.30336 O=CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_200009817547 [0,2,0,0,0,0|1,0,1]=4 7333 B16R2.30336 O=CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_200015260668 [0,2,0,0,0,0|1,0,1]=4 7334 B16R2.30336 O=CCOc1cnc2cc(ccc2c1)F 34a_100012184162_200009817547 [0,2,0,0,0,0|1,0,1]=4 7335 B16R2.30336 O=CCOc1cnc2cc(ccc2c1)F 7a_100012184162_200015260668 [0,2,0,0,0,0|1,0,1]=4 7336 B16R2.30336 O=CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_200015260668 [0,2,0,0,0,0|0,1,1]=4 7337 B16R2.30336 O=CCSc1ccc2cc(ccc2c1)Br 62a_200015260668_100012344972 [0,2,0,0,0,0|0,1,1]=4 7338 B16R2.30336 O=CCSc1ccc2cc(ccc2c1)F 62a_100009817052_200015260668 [0,2,0,0,0,0|0,1,1]=4 7339 B16R2.30336 O=CCSc1ccc2cc(ccc2c1)F 62a_200015260668_100009817052 [0,2,0,0,0,0|0,1,1]=4 7340 B16R2.30336 O=CCSc1ccc2cc(ccc2c1)O 62a_200015260668_100000185455 [0,2,0,0,0,0|0,1,1]=4 7341 B16R2.30336 O=c1ccc2cc(ccc2[nH]1)SCCF 62a_100011217306_100011934725 [0,2,0,0,0,0|1,1,0]=4 7342 B16R2.30336 O=c1ccc2cc(ccc2[nH]1)SCCO 62a_100000211926_100011934725 [0,2,0,0,0,0|1,1,0]=4 7343 B16R2.30336 O=c1ccc2cc(ccc2o1)NCCF 7a_100000008519_100011217306 [0,2,0,0,0,0|2,0,0]=4 7344 B16R2.30336 O=c1ccc2cc(ccc2o1)NCCO 7a_100000008519_100000211926 [0,2,0,0,0,0|2,0,0]=4 7345 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCF 34a_100000066265_100011217306 [0,2,0,0,0,0|1,0,0]=3 7346 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCF 7a_100000066265_100011217306 [0,2,0,0,0,0|1,0,0]=3 7347 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCO 34a_100000066265_100000211926 [0,2,0,0,0,0|1,0,0]=3 7348 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCO 7a_100000066265_100000211926 [0,2,0,0,0,0|1,0,0]=3 7349 B16R2.30336 O=c1ccc2cc(ccc2o1)SCCF 62a_100011217306_100009999946 [0,2,0,0,0,0|1,1,0]=4 7350 B16R2.30336 O=c1ccc2cc(ccc2o1)SCCO 62a_100000211926_100009999946 [0,2,0,0,0,0|1,1,0]=4 7351 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000211926 [0,2,0,0,0,0|1,0,0]=3 7352 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000211926 [0,2,0,0,0,0|1,0,0]=3 7353 B16R2.30336 OCCNc1ccc2cc(ccc2n1)F 27a_100000210304_100011998705 [0,2,0,0,0,0|2,0,0]=4 7354 B16R2.30336 OCCNc1ccc2cc(cnc2c1)Br 27a_100000210304_200015509644 [0,2,0,0,0,0|2,0,0]=4 7355 B16R2.30336 OCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000211926 [0,2,0,0,0,0|2,0,0]=4 7356 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000211926 [0,2,0,0,0,0|0,0,0]=2 7357 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000211926 [0,2,0,0,0,0|0,0,0]=2 7358 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000211926 [0,2,0,0,0,0|0,0,0]=2 7359 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000211926 [0,2,0,0,0,0|0,0,0]=2 7360 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000211926 [0,2,0,0,0,0|0,0,0]=2 7361 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000211926 [0,2,0,0,0,0|0,0,0]=2 7362 B16R2.30336 OCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000211926 [0,2,0,0,0,0|1,0,0]=3 7363 B16R2.30336 OCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000211926 [0,2,0,0,0,0|1,0,0]=3 7364 B16R2.30336 OCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000211926 [0,2,0,0,0,0|1,0,0]=3 7365 B16R2.30336 OCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000211926 [0,2,0,0,0,0|1,0,0]=3 7366 B16R2.30336 OCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000211926 [0,2,0,0,0,0|2,0,0]=4 7367 B16R2.30336 OCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000211926 [0,2,0,0,0,0|1,0,0]=3 7368 B16R2.30336 OCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000211926 [0,2,0,0,0,0|1,0,0]=3 7369 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100000211926_100012344972 [0,2,0,0,0,0|0,1,0]=3 7370 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000211926 [0,2,0,0,0,0|0,1,0]=3 7371 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100000211926_100009817052 [0,2,0,0,0,0|0,1,0]=3 7372 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000211926 [0,2,0,0,0,0|0,1,0]=3 7373 B16R2.30336 OCCSc1ccc2cc(ccc2c1)O 62a_100000211926_100000185455 [0,2,0,0,0,0|0,1,0]=3 7374 B16R2.30336 OCCSc1ccc2cc(ccc2n1)F 62a_100000211926_100011998705 [0,2,0,0,0,0|1,1,0]=4 7375 B16R2.30336 OCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000211926 [0,2,0,0,0,0|1,1,0]=4 7376 B16R2.30336 OCCSc1ccc2cc(ccc2n1)O 62a_100000211926_100009849208 [0,2,0,0,0,0|1,1,0]=4 7377 B16R2.30336 OCCSc1ccc2cc(cnc2c1)Br 62a_100000211926_200015509644 [0,2,0,0,0,0|1,1,0]=4 7378 B16R2.30336 OCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000211926 [0,2,0,0,0,0|1,1,0]=4 7379 B16R2.30336 OCCSc1ccc2cc(cnc2c1)F 62a_100000211926_100010751466 [0,2,0,0,0,0|1,1,0]=4 7380 B16R2.30336 OCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000211926 [0,2,0,0,0,0|1,1,0]=4 7381 B16R2.30336 OCCSc1ccc2nc(ccc2c1)Cl 62a_100000211926_200012034268 [0,2,0,0,0,0|1,1,0]=4 7382 B16R2.30336 OCCSc1cnc2cc(ccc2c1)Cl 62a_100000211926_100015716233 [0,2,0,0,0,0|1,1,0]=4 7383 B16R2.30336 OCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000211926 [0,2,0,0,0,0|1,1,0]=4 7384 B16R2.30336 OCCSc1cnc2cc(ccc2c1)O 62a_100000211926_200010153753 [0,2,0,0,0,0|1,1,0]=4 7385 B16R2.30336 Oc1ccc2cc(ccc2c1)CNCF 34a_200000083168_100015361967 [0,2,0,0,0,0|2,0,0]=4 7386 B16R2.30336 Oc1ccc2cc(ccc2c1)SCCF 62a_100011217306_100000185455 [0,2,0,0,0,0|0,1,0]=3 7387 B16R2.30336 Oc1ccc2cc(cnc2c1)SCCF 62a_100011217306_200010153753 [0,2,0,0,0,0|1,1,0]=4 7388 B16R2.30336 Oc1ccc2nc(ccc2c1)SCCF 62a_100011217306_100009849208 [0,2,0,0,0,0|1,1,0]=4 7389 B16R2.163604 C#CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000184674 [0,2,0,0,0,0|1,0,1]=4 7390 B16R2.163604 C#CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000038162 [0,2,0,0,0,0|1,0,1]=4 7391 B16R2.163604 C#CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000184674 [0,2,0,0,0,0|1,0,1]=4 7392 B16R2.163604 C#CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000038162 [0,2,0,0,0,0|1,0,1]=4 7393 B16R2.163604 C#CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000184674 [0,2,0,0,0,0|1,0,1]=4 7394 B16R2.163604 C#CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000038162 [0,2,0,0,0,0|1,0,1]=4 7395 B16R2.163604 C#CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000184674 [0,2,0,0,0,0|0,0,1]=3 7396 B16R2.163604 C#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000038162 [0,2,0,0,0,0|0,0,1]=3 7397 B16R2.163604 C#CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000184674 [0,2,0,0,0,0|1,0,1]=4 7398 B16R2.163604 C#CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000038162 [0,2,0,0,0,0|1,0,1]=4 7399 B16R2.163604 C#CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000184674 [0,2,0,0,0,0|1,0,1]=4 7400 B16R2.163604 C#CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000038162 [0,2,0,0,0,0|1,0,1]=4 7401 B16R2.163604 C#CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000184674 [0,2,0,0,0,0|1,0,1]=4 7402 B16R2.163604 C#CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000038162 [0,2,0,0,0,0|1,0,1]=4 7403 B16R2.163604 C#CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000184674 [0,2,0,0,0,0|1,0,1]=4 7404 B16R2.163604 C#CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000038162 [0,2,0,0,0,0|1,0,1]=4 7405 B16R2.163604 C#CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000184674 [0,2,0,0,0,0|1,0,1]=4 7406 B16R2.163604 C#CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000038162 [0,2,0,0,0,0|1,0,1]=4 7407 B16R2.163604 C#CCSc1ccc2c(cccc2c1)N 62a_100000038162_100010090037 [0,2,0,0,0,0|0,1,1]=4 7408 B16R2.163604 C#CCSc1ccc2c(cccc2c1)O 62a_100000038162_100010202202 [0,2,0,0,0,0|0,1,1]=4 7409 B16R2.163604 C=CCNc1ccc2c(cccc2c1)O 34a_100000035793_100015514636 [0,2,0,0,0,0|1,0,1]=4 7410 B16R2.163604 C=CCNc1ccc2c(cccc2c1)O 7a_100000035793_100015514636 [0,2,0,0,0,0|1,0,1]=4 7411 B16R2.163604 C=CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100015514636 [0,2,0,0,0,0|1,0,1]=4 7412 B16R2.163604 C=CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100015514636 [0,2,0,0,0,0|1,0,1]=4 7413 B16R2.163604 C=CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100015514636 [0,2,0,0,0,0|1,0,1]=4 7414 B16R2.163604 C=CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100015514636 [0,2,0,0,0,0|1,0,1]=4 7415 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 34a_100000034668_100015514636 [0,2,0,0,0,0|0,0,1]=3 7416 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 7a_100000034668_100015514636 [0,2,0,0,0,0|0,0,1]=3 7417 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100015514636 [0,2,0,0,0,0|1,0,1]=4 7418 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100015514636 [0,2,0,0,0,0|1,0,1]=4 7419 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100015514636 [0,2,0,0,0,0|1,0,1]=4 7420 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100015514636 [0,2,0,0,0,0|1,0,1]=4 7421 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015514636 [0,2,0,0,0,0|1,0,1]=4 7422 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015514636 [0,2,0,0,0,0|1,0,1]=4 7423 B16R2.163604 C=CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100015514636 [0,2,0,0,0,0|1,0,1]=4 7424 B16R2.163604 C=CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100015514636 [0,2,0,0,0,0|1,0,1]=4 7425 B16R2.163604 C=CCOc1cnc2c(cccc2c1)F 34a_100012184956_100015514636 [0,2,0,0,0,0|1,0,1]=4 7426 B16R2.163604 C=CCOc1cnc2c(cccc2c1)F 7a_100012184956_100015514636 [0,2,0,0,0,0|1,0,1]=4 7427 B16R2.163604 C=CCSc1ccc2c(cccc2c1)N 62a_100000210623_100010090037 [0,2,0,0,0,0|0,1,1]=4 7428 B16R2.163604 C=CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210623 [0,2,0,0,0,0|0,1,1]=4 7429 B16R2.163604 C=CCSc1ccc2c(cccc2c1)O 62a_100000210623_100010202202 [0,2,0,0,0,0|0,1,1]=4 7430 B16R2.163604 CCCCc1ccc2c(=O)ccoc2c1 271570a_100020621405_100010062221 [0,2,0,0,0,0|2,0,0]=4 7431 B16R2.163604 CCCCc1ccc2c(cccc2c1)N 271570a_100020621405_100010090037 [0,2,0,0,0,0|1,0,0]=3 7432 B16R2.163604 CCCCc1ccc2c(cccc2c1)O 271570a_100020621405_100010202202 [0,2,0,0,0,0|1,0,0]=3 7433 B16R2.163604 CCCCc1ccc2c(ccnc2c1)C 271570a_100020621405_100010132309 [0,2,0,0,0,0|2,0,0]=4 7434 B16R2.163604 CCCCc1ccc2c(ccnc2c1)Cl 271570a_100020621405_100009996786 [0,2,0,0,0,0|2,0,0]=4 7435 B16R2.163604 CCCCc1ccc2c(ccnc2c1)N 271570a_100020621405_200009816820 [0,2,0,0,0,0|2,0,0]=4 7436 B16R2.163604 CCCCc1ccc2c(ccnc2c1)O 271570a_100020621405_100000756855 [0,2,0,0,0,0|2,0,0]=4 7437 B16R2.163604 CCCCc1ccc2c(nccc2c1)N 271570a_100020621405_100000732483 [0,2,0,0,0,0|2,0,0]=4 7438 B16R2.163604 CCCCc1ccc2c(nccc2c1)O 271570a_100020621405_100000760485 [0,2,0,0,0,0|2,0,0]=4 7439 B16R2.163604 CCCCc1cnc2c(cccc2c1)Br 271570a_100020621405_100010204298 [0,2,0,0,0,0|2,0,0]=4 7440 B16R2.163604 CCCCc1cnc2c(cccc2c1)C 271570a_100020621405_100009829671 [0,2,0,0,0,0|2,0,0]=4 7441 B16R2.163604 CCCCc1cnc2c(cccc2c1)Cl 271570a_100020621405_100000759377 [0,2,0,0,0,0|2,0,0]=4 7442 B16R2.163604 CCCCc1cnc2c(cccc2c1)F 271570a_100020621405_100000049890 [0,2,0,0,0,0|2,0,0]=4 7443 B16R2.163604 CCCCc1cnc2c(cccc2c1)N 271570a_100020621405_100000702407 [0,2,0,0,0,0|2,0,0]=4 7444 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210303 [0,2,0,0,0,0|1,0,0]=3 7445 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210303 [0,2,0,0,0,0|1,0,0]=3 7446 B16R2.163604 CCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210303 [0,2,0,0,0,0|1,0,0]=3 7447 B16R2.163604 CCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210303 [0,2,0,0,0,0|1,0,0]=3 7448 B16R2.163604 CCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210303 [0,2,0,0,0,0|1,0,0]=3 7449 B16R2.163604 CCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210303 [0,2,0,0,0,0|1,0,0]=3 7450 B16R2.163604 CCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210303 [0,2,0,0,0,0|0,0,0]=2 7451 B16R2.163604 CCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210303 [0,2,0,0,0,0|0,0,0]=2 7452 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210303 [0,2,0,0,0,0|1,0,0]=3 7453 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210303 [0,2,0,0,0,0|1,0,0]=3 7454 B16R2.163604 CCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210303 [0,2,0,0,0,0|1,0,0]=3 7455 B16R2.163604 CCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210303 [0,2,0,0,0,0|1,0,0]=3 7456 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210303 [0,2,0,0,0,0|1,0,0]=3 7457 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210303 [0,2,0,0,0,0|1,0,0]=3 7458 B16R2.163604 CCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210303 [0,2,0,0,0,0|1,0,0]=3 7459 B16R2.163604 CCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210303 [0,2,0,0,0,0|1,0,0]=3 7460 B16R2.163604 CCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210303 [0,2,0,0,0,0|1,0,0]=3 7461 B16R2.163604 CCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210303 [0,2,0,0,0,0|1,0,0]=3 7462 B16R2.163604 CCCSc1ccc2c(=O)ccoc2c1 62a_100000210303_100010062221 [0,2,0,0,0,0|1,1,0]=4 7463 B16R2.163604 CCCSc1ccc2c(cccc2c1)N 62a_100000210303_100010090037 [0,2,0,0,0,0|0,1,0]=3 7464 B16R2.163604 CCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210303 [0,2,0,0,0,0|0,1,0]=3 7465 B16R2.163604 CCCSc1ccc2c(cccc2c1)O 62a_100000210303_100010202202 [0,2,0,0,0,0|0,1,0]=3 7466 B16R2.163604 CCCSc1ccc2c(ccnc2c1)C 62a_100000210303_100010132309 [0,2,0,0,0,0|1,1,0]=4 7467 B16R2.163604 CCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000210303 [0,2,0,0,0,0|1,1,0]=4 7468 B16R2.163604 CCCSc1ccc2c(ccnc2c1)Cl 62a_100000210303_100009996786 [0,2,0,0,0,0|1,1,0]=4 7469 B16R2.163604 CCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210303 [0,2,0,0,0,0|1,1,0]=4 7470 B16R2.163604 CCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210303 [0,2,0,0,0,0|1,1,0]=4 7471 B16R2.163604 CCCSc1ccc2c(ccnc2c1)O 62a_100000210303_100000756855 [0,2,0,0,0,0|1,1,0]=4 7472 B16R2.163604 CCCSc1ccc2c(nccc2c1)N 62a_100000210303_100000732483 [0,2,0,0,0,0|1,1,0]=4 7473 B16R2.163604 CCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210303 [0,2,0,0,0,0|1,1,0]=4 7474 B16R2.163604 CCCSc1ccc2c(nccc2c1)O 62a_100000210303_100000760485 [0,2,0,0,0,0|1,1,0]=4 7475 B16R2.163604 CCCSc1cnc2c(cccc2c1)Br 62a_100000210303_100010204298 [0,2,0,0,0,0|1,1,0]=4 7476 B16R2.163604 CCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210303 [0,2,0,0,0,0|1,1,0]=4 7477 B16R2.163604 CCCSc1cnc2c(cccc2c1)C 62a_100000210303_100009829671 [0,2,0,0,0,0|1,1,0]=4 7478 B16R2.163604 CCCSc1cnc2c(cccc2c1)Cl 62a_100000210303_100000759377 [0,2,0,0,0,0|1,1,0]=4 7479 B16R2.163604 CCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210303 [0,2,0,0,0,0|1,1,0]=4 7480 B16R2.163604 CCCSc1cnc2c(cccc2c1)F 62a_100000210303_100000049890 [0,2,0,0,0,0|1,1,0]=4 7481 B16R2.163604 CCCSc1cnc2c(cccc2c1)N 62a_100000210303_100000702407 [0,2,0,0,0,0|1,1,0]=4 7482 B16R2.163604 COCSc1ccc2c(=O)ccoc2c1 62a_100000766300_100010062221 [0,2,0,0,0,0|1,1,0]=4 7483 B16R2.163604 COCSc1ccc2c(cccc2c1)N 62a_100000766300_100010090037 [0,2,0,0,0,0|0,1,0]=3 7484 B16R2.163604 COCSc1ccc2c(cccc2c1)N 62a_100010090037_100000766300 [0,2,0,0,0,0|0,1,0]=3 7485 B16R2.163604 COCSc1ccc2c(cccc2c1)O 62a_100000766300_100010202202 [0,2,0,0,0,0|0,1,0]=3 7486 B16R2.163604 COCSc1ccc2c(ccnc2c1)C 62a_100000766300_100010132309 [0,2,0,0,0,0|1,1,0]=4 7487 B16R2.163604 COCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000766300 [0,2,0,0,0,0|1,1,0]=4 7488 B16R2.163604 COCSc1ccc2c(ccnc2c1)Cl 62a_100000766300_100009996786 [0,2,0,0,0,0|1,1,0]=4 7489 B16R2.163604 COCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000766300 [0,2,0,0,0,0|1,1,0]=4 7490 B16R2.163604 COCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000766300 [0,2,0,0,0,0|1,1,0]=4 7491 B16R2.163604 COCSc1ccc2c(ccnc2c1)O 62a_100000766300_100000756855 [0,2,0,0,0,0|1,1,0]=4 7492 B16R2.163604 COCSc1ccc2c(nccc2c1)N 62a_100000732483_100000766300 [0,2,0,0,0,0|1,1,0]=4 7493 B16R2.163604 COCSc1ccc2c(nccc2c1)N 62a_100000766300_100000732483 [0,2,0,0,0,0|1,1,0]=4 7494 B16R2.163604 COCSc1ccc2c(nccc2c1)O 62a_100000766300_100000760485 [0,2,0,0,0,0|1,1,0]=4 7495 B16R2.163604 COCSc1cnc2c(cccc2c1)Br 62a_100000766300_100010204298 [0,2,0,0,0,0|1,1,0]=4 7496 B16R2.163604 COCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000766300 [0,2,0,0,0,0|1,1,0]=4 7497 B16R2.163604 COCSc1cnc2c(cccc2c1)C 62a_100000766300_100009829671 [0,2,0,0,0,0|1,1,0]=4 7498 B16R2.163604 COCSc1cnc2c(cccc2c1)Cl 62a_100000766300_100000759377 [0,2,0,0,0,0|1,1,0]=4 7499 B16R2.163604 COCSc1cnc2c(cccc2c1)F 62a_100000049890_100000766300 [0,2,0,0,0,0|1,1,0]=4 7500 B16R2.163604 COCSc1cnc2c(cccc2c1)F 62a_100000766300_100000049890 [0,2,0,0,0,0|1,1,0]=4 7501 B16R2.163604 COCSc1cnc2c(cccc2c1)N 62a_100000766300_100000702407 [0,2,0,0,0,0|1,1,0]=4 7502 B16R2.163604 CSCNc1ccc2c(cccc2c1)O 34a_100000035793_100011218213 [0,2,0,0,0,0|1,0,0]=3 7503 B16R2.163604 CSCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011218213 [0,2,0,0,0,0|1,0,0]=3 7504 B16R2.163604 CSCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100011218213 [0,2,0,0,0,0|1,0,0]=3 7505 B16R2.163604 CSCOc1ccc2c(cccc2c1)N 34a_100000034668_100011218213 [0,2,0,0,0,0|0,0,0]=2 7506 B16R2.163604 CSCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011218213 [0,2,0,0,0,0|1,0,0]=3 7507 B16R2.163604 CSCOc1ccc2c(ccnc2c1)C 34a_200009854145_100011218213 [0,2,0,0,0,0|1,0,0]=3 7508 B16R2.163604 CSCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011218213 [0,2,0,0,0,0|1,0,0]=3 7509 B16R2.163604 CSCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011218213 [0,2,0,0,0,0|1,0,0]=3 7510 B16R2.163604 CSCOc1cnc2c(cccc2c1)F 34a_100012184956_100011218213 [0,2,0,0,0,0|1,0,0]=3 7511 B16R2.163604 CSCSc1ccc2c(=O)ccoc2c1 62a_100011218213_100010062221 [0,2,0,0,0,0|1,1,0]=4 7512 B16R2.163604 CSCSc1ccc2c(cccc2c1)N 62a_100010090037_100011218213 [0,2,0,0,0,0|0,1,0]=3 7513 B16R2.163604 CSCSc1ccc2c(cccc2c1)N 62a_100011218213_100010090037 [0,2,0,0,0,0|0,1,0]=3 7514 B16R2.163604 CSCSc1ccc2c(cccc2c1)O 62a_100011218213_100010202202 [0,2,0,0,0,0|0,1,0]=3 7515 B16R2.163604 CSCSc1ccc2c(ccnc2c1)C 62a_100010132309_100011218213 [0,2,0,0,0,0|1,1,0]=4 7516 B16R2.163604 CSCSc1ccc2c(ccnc2c1)C 62a_100011218213_100010132309 [0,2,0,0,0,0|1,1,0]=4 7517 B16R2.163604 CSCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011218213 [0,2,0,0,0,0|1,1,0]=4 7518 B16R2.163604 CSCSc1ccc2c(ccnc2c1)Cl 62a_100011218213_100009996786 [0,2,0,0,0,0|1,1,0]=4 7519 B16R2.163604 CSCSc1ccc2c(ccnc2c1)N 62a_200009816820_100011218213 [0,2,0,0,0,0|1,1,0]=4 7520 B16R2.163604 CSCSc1ccc2c(ccnc2c1)O 62a_100011218213_100000756855 [0,2,0,0,0,0|1,1,0]=4 7521 B16R2.163604 CSCSc1ccc2c(nccc2c1)N 62a_100000732483_100011218213 [0,2,0,0,0,0|1,1,0]=4 7522 B16R2.163604 CSCSc1ccc2c(nccc2c1)N 62a_100011218213_100000732483 [0,2,0,0,0,0|1,1,0]=4 7523 B16R2.163604 CSCSc1ccc2c(nccc2c1)O 62a_100011218213_100000760485 [0,2,0,0,0,0|1,1,0]=4 7524 B16R2.163604 CSCSc1cnc2c(cccc2c1)Br 62a_100010204298_100011218213 [0,2,0,0,0,0|1,1,0]=4 7525 B16R2.163604 CSCSc1cnc2c(cccc2c1)Br 62a_100011218213_100010204298 [0,2,0,0,0,0|1,1,0]=4 7526 B16R2.163604 CSCSc1cnc2c(cccc2c1)C 62a_100011218213_100009829671 [0,2,0,0,0,0|1,1,0]=4 7527 B16R2.163604 CSCSc1cnc2c(cccc2c1)Cl 62a_100011218213_100000759377 [0,2,0,0,0,0|1,1,0]=4 7528 B16R2.163604 CSCSc1cnc2c(cccc2c1)F 62a_100000049890_100011218213 [0,2,0,0,0,0|1,1,0]=4 7529 B16R2.163604 CSCSc1cnc2c(cccc2c1)F 62a_100011218213_100000049890 [0,2,0,0,0,0|1,1,0]=4 7530 B16R2.163604 CSCSc1cnc2c(cccc2c1)N 62a_100011218213_100000702407 [0,2,0,0,0,0|1,1,0]=4 7531 B16R2.163604 Cc1cccc2c1ncc(c2)SCCF 62a_100011217306_100009829671 [0,2,0,0,0,0|1,1,0]=4 7532 B16R2.163604 Cc1cccc2c1ncc(c2)SCCO 62a_100000211926_100009829671 [0,2,0,0,0,0|1,1,0]=4 7533 B16R2.163604 Cc1ccnc2c1ccc(c2)OCC#N 7a_200009854145_100011215382 [0,2,0,0,0,0|1,0,1]=4 7534 B16R2.163604 Cc1ccnc2c1ccc(c2)OCC=O 34a_200009854145_200009817547 [0,2,0,0,0,0|1,0,1]=4 7535 B16R2.163604 Cc1ccnc2c1ccc(c2)OCC=O 7a_200009854145_200015260668 [0,2,0,0,0,0|1,0,1]=4 7536 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCF 34a_200009854145_100011217306 [0,2,0,0,0,0|1,0,0]=3 7537 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCF 7a_200009854145_100011217306 [0,2,0,0,0,0|1,0,0]=3 7538 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCO 34a_200009854145_100000211926 [0,2,0,0,0,0|1,0,0]=3 7539 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCO 7a_200009854145_100000211926 [0,2,0,0,0,0|1,0,0]=3 7540 B16R2.163604 Cc1ccnc2c1ccc(c2)SCCF 62a_100010132309_100011217306 [0,2,0,0,0,0|1,1,0]=4 7541 B16R2.163604 Cc1ccnc2c1ccc(c2)SCCF 62a_100011217306_100010132309 [0,2,0,0,0,0|1,1,0]=4 7542 B16R2.163604 Cc1ccnc2c1ccc(c2)SCCO 62a_100000211926_100010132309 [0,2,0,0,0,0|1,1,0]=4 7543 B16R2.163604 Cc1ccnc2c1ccc(c2)SCCO 62a_100010132309_100000211926 [0,2,0,0,0,0|1,1,0]=4 7544 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011217306 [0,2,0,0,0,0|1,0,0]=3 7545 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011217306 [0,2,0,0,0,0|1,0,0]=3 7546 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011217306 [0,2,0,0,0,0|1,0,0]=3 7547 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011217306 [0,2,0,0,0,0|1,0,0]=3 7548 B16R2.163604 FCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011217306 [0,2,0,0,0,0|1,0,0]=3 7549 B16R2.163604 FCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011217306 [0,2,0,0,0,0|1,0,0]=3 7550 B16R2.163604 FCCOc1cnc2c(cccc2c1)F 34a_100012184956_100011217306 [0,2,0,0,0,0|1,0,0]=3 7551 B16R2.163604 FCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011217306 [0,2,0,0,0,0|1,0,0]=3 7552 B16R2.163604 FCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011217306 [0,2,0,0,0,0|1,1,0]=4 7553 B16R2.163604 FCCSc1ccc2c(ccnc2c1)Cl 62a_100011217306_100009996786 [0,2,0,0,0,0|1,1,0]=4 7554 B16R2.163604 FCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100011217306 [0,2,0,0,0,0|1,1,0]=4 7555 B16R2.163604 FCCSc1cnc2c(cccc2c1)Br 62a_100011217306_100010204298 [0,2,0,0,0,0|1,1,0]=4 7556 B16R2.163604 FCCSc1cnc2c(cccc2c1)Cl 62a_100011217306_100000759377 [0,2,0,0,0,0|1,1,0]=4 7557 B16R2.163604 FCCSc1cnc2c(cccc2c1)F 62a_100000049890_100011217306 [0,2,0,0,0,0|1,1,0]=4 7558 B16R2.163604 FCCSc1cnc2c(cccc2c1)F 62a_100011217306_100000049890 [0,2,0,0,0,0|1,1,0]=4 7559 B16R2.163604 N#CCNc1ccc2c(cccc2c1)O 7a_100000035793_100011215382 [0,2,0,0,0,0|1,0,1]=4 7560 B16R2.163604 N#CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100011215382 [0,2,0,0,0,0|1,0,1]=4 7561 B16R2.163604 N#CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100011215382 [0,2,0,0,0,0|1,0,1]=4 7562 B16R2.163604 N#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100011215382 [0,2,0,0,0,0|0,0,1]=3 7563 B16R2.163604 N#CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011215382 [0,2,0,0,0,0|1,0,1]=4 7564 B16R2.163604 N#CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011215382 [0,2,0,0,0,0|1,0,1]=4 7565 B16R2.163604 N#CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011215382 [0,2,0,0,0,0|1,0,1]=4 7566 B16R2.163604 N#CCOc1cnc2c(cccc2c1)F 7a_100012184956_100011215382 [0,2,0,0,0,0|1,0,1]=4 7567 B16R2.163604 N#CCSc1ccc2c(cccc2c1)N 62a_100010090037_100011215382 [0,2,0,0,0,0|0,1,1]=4 7568 B16R2.163604 N#CCSc1ccc2c(cccc2c1)N 62a_100011215382_100010090037 [0,2,0,0,0,0|0,1,1]=4 7569 B16R2.163604 N#CCSc1ccc2c(cccc2c1)O 62a_100011215382_100010202202 [0,2,0,0,0,0|0,1,1]=4 7570 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 34a_100000034668_200009817547 [0,2,0,0,0,0|0,0,1]=3 7571 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 7a_100000034668_200015260668 [0,2,0,0,0,0|0,0,1]=3 7572 B16R2.163604 Nc1cccc2c1ccc(c2)OCCF 34a_100000034668_100011217306 [0,2,0,0,0,0|0,0,0]=2 7573 B16R2.163604 Nc1cccc2c1ccc(c2)OCCF 7a_100000034668_100011217306 [0,2,0,0,0,0|0,0,0]=2 7574 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 34a_100000034668_100000211926 [0,2,0,0,0,0|0,0,0]=2 7575 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 7a_100000034668_100000211926 [0,2,0,0,0,0|0,0,0]=2 7576 B16R2.163604 Nc1cccc2c1ccc(c2)SCC=O 62a_100010090037_200015260668 [0,2,0,0,0,0|0,1,1]=4 7577 B16R2.163604 Nc1cccc2c1ccc(c2)SCC=O 62a_200015260668_100010090037 [0,2,0,0,0,0|0,1,1]=4 7578 B16R2.163604 Nc1cccc2c1ccc(c2)SCCF 62a_100010090037_100011217306 [0,2,0,0,0,0|0,1,0]=3 7579 B16R2.163604 Nc1cccc2c1ccc(c2)SCCF 62a_100011217306_100010090037 [0,2,0,0,0,0|0,1,0]=3 7580 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100000211926_100010090037 [0,2,0,0,0,0|0,1,0]=3 7581 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100010090037_100000211926 [0,2,0,0,0,0|0,1,0]=3 7582 B16R2.163604 Nc1cccc2c1ncc(c2)SCCF 62a_100011217306_100000702407 [0,2,0,0,0,0|1,1,0]=4 7583 B16R2.163604 Nc1cccc2c1ncc(c2)SCCO 62a_100000211926_100000702407 [0,2,0,0,0,0|1,1,0]=4 7584 B16R2.163604 Nc1ccnc2c1ccc(c2)SCCF 62a_200009816820_100011217306 [0,2,0,0,0,0|1,1,0]=4 7585 B16R2.163604 Nc1ccnc2c1ccc(c2)SCCO 62a_200009816820_100000211926 [0,2,0,0,0,0|1,1,0]=4 7586 B16R2.163604 Nc1nccc2c1ccc(c2)SCCF 62a_100000732483_100011217306 [0,2,0,0,0,0|1,1,0]=4 7587 B16R2.163604 Nc1nccc2c1ccc(c2)SCCF 62a_100011217306_100000732483 [0,2,0,0,0,0|1,1,0]=4 7588 B16R2.163604 Nc1nccc2c1ccc(c2)SCCO 62a_100000211926_100000732483 [0,2,0,0,0,0|1,1,0]=4 7589 B16R2.163604 Nc1nccc2c1ccc(c2)SCCO 62a_100000732483_100000211926 [0,2,0,0,0,0|1,1,0]=4 7590 B16R2.163604 O=CCNc1ccc2c(cccc2c1)O 34a_100000035793_200009817547 [0,2,0,0,0,0|1,0,1]=4 7591 B16R2.163604 O=CCNc1ccc2c(cccc2c1)O 7a_100000035793_200015260668 [0,2,0,0,0,0|1,0,1]=4 7592 B16R2.163604 O=CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200009817547 [0,2,0,0,0,0|1,0,1]=4 7593 B16R2.163604 O=CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200015260668 [0,2,0,0,0,0|1,0,1]=4 7594 B16R2.163604 O=CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_200009817547 [0,2,0,0,0,0|1,0,1]=4 7595 B16R2.163604 O=CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_200015260668 [0,2,0,0,0,0|1,0,1]=4 7596 B16R2.163604 O=CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_200009817547 [0,2,0,0,0,0|1,0,1]=4 7597 B16R2.163604 O=CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_200015260668 [0,2,0,0,0,0|1,0,1]=4 7598 B16R2.163604 O=CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_200009817547 [0,2,0,0,0,0|1,0,1]=4 7599 B16R2.163604 O=CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_200015260668 [0,2,0,0,0,0|1,0,1]=4 7600 B16R2.163604 O=CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_200009817547 [0,2,0,0,0,0|1,0,1]=4 7601 B16R2.163604 O=CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_200015260668 [0,2,0,0,0,0|1,0,1]=4 7602 B16R2.163604 O=CCOc1cnc2c(cccc2c1)F 34a_100012184956_200009817547 [0,2,0,0,0,0|1,0,1]=4 7603 B16R2.163604 O=CCOc1cnc2c(cccc2c1)F 7a_100012184956_200015260668 [0,2,0,0,0,0|1,0,1]=4 7604 B16R2.163604 O=CCSc1ccc2c(cccc2c1)O 62a_200015260668_100010202202 [0,2,0,0,0,0|0,1,1]=4 7605 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCF 34a_100009857879_100011217306 [0,2,0,0,0,0|1,0,0]=3 7606 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCF 7a_100009857879_100011217306 [0,2,0,0,0,0|1,0,0]=3 7607 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCO 34a_100009857879_100000211926 [0,2,0,0,0,0|1,0,0]=3 7608 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCO 7a_100009857879_100000211926 [0,2,0,0,0,0|1,0,0]=3 7609 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCF 34a_200000065989_100011217306 [0,2,0,0,0,0|1,0,0]=3 7610 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCF 7a_200000065989_100011217306 [0,2,0,0,0,0|1,0,0]=3 7611 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCO 34a_200000065989_100000211926 [0,2,0,0,0,0|1,0,0]=3 7612 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCO 7a_200000065989_100000211926 [0,2,0,0,0,0|1,0,0]=3 7613 B16R2.163604 O=c1ccoc2c1ccc(c2)SCCF 62a_100011217306_100010062221 [0,2,0,0,0,0|1,1,0]=4 7614 B16R2.163604 O=c1ccoc2c1ccc(c2)SCCO 62a_100000211926_100010062221 [0,2,0,0,0,0|1,1,0]=4 7615 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000211926 [0,2,0,0,0,0|1,0,0]=3 7616 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000211926 [0,2,0,0,0,0|1,0,0]=3 7617 B16R2.163604 OCCNc1ccc2c(ccnc2c1)Cl 27a_100000210304_100009996786 [0,2,0,0,0,0|2,0,0]=4 7618 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000211926 [0,2,0,0,0,0|1,0,0]=3 7619 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000211926 [0,2,0,0,0,0|1,0,0]=3 7620 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000211926 [0,2,0,0,0,0|1,0,0]=3 7621 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000211926 [0,2,0,0,0,0|1,0,0]=3 7622 B16R2.163604 OCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000211926 [0,2,0,0,0,0|1,0,0]=3 7623 B16R2.163604 OCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000211926 [0,2,0,0,0,0|1,0,0]=3 7624 B16R2.163604 OCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000211926 [0,2,0,0,0,0|1,0,0]=3 7625 B16R2.163604 OCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000211926 [0,2,0,0,0,0|1,0,0]=3 7626 B16R2.163604 OCCSc1ccc2c(cccc2c1)O 62a_100000211926_100010202202 [0,2,0,0,0,0|0,1,0]=3 7627 B16R2.163604 OCCSc1ccc2c(ccnc2c1)Cl 62a_100000211926_100009996786 [0,2,0,0,0,0|1,1,0]=4 7628 B16R2.163604 OCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000211926 [0,2,0,0,0,0|1,1,0]=4 7629 B16R2.163604 OCCSc1ccc2c(ccnc2c1)O 62a_100000211926_100000756855 [0,2,0,0,0,0|1,1,0]=4 7630 B16R2.163604 OCCSc1ccc2c(nccc2c1)O 62a_100000211926_100000760485 [0,2,0,0,0,0|1,1,0]=4 7631 B16R2.163604 OCCSc1cnc2c(cccc2c1)Br 62a_100000211926_100010204298 [0,2,0,0,0,0|1,1,0]=4 7632 B16R2.163604 OCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000211926 [0,2,0,0,0,0|1,1,0]=4 7633 B16R2.163604 OCCSc1cnc2c(cccc2c1)Cl 62a_100000211926_100000759377 [0,2,0,0,0,0|1,1,0]=4 7634 B16R2.163604 OCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000211926 [0,2,0,0,0,0|1,1,0]=4 7635 B16R2.163604 OCCSc1cnc2c(cccc2c1)F 62a_100000211926_100000049890 [0,2,0,0,0,0|1,1,0]=4 7636 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 34a_100000035793_100011217306 [0,2,0,0,0,0|1,0,0]=3 7637 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 7a_100000035793_100011217306 [0,2,0,0,0,0|1,0,0]=3 7638 B16R2.163604 Oc1cccc2c1ccc(c2)SCCF 62a_100011217306_100010202202 [0,2,0,0,0,0|0,1,0]=3 7639 B16R2.163604 Oc1ccnc2c1ccc(c2)SCCF 62a_100011217306_100000756855 [0,2,0,0,0,0|1,1,0]=4 7640 B16R2.163604 Oc1nccc2c1ccc(c2)SCCF 62a_100011217306_100000760485 [0,2,0,0,0,0|1,1,0]=4 7641 B16R2.3814 CCNc1cc(c2ccccc2n1)OC 27a_100015525214_200010892118 [0,2,0,0,0,0|2,0,0]=4 7642 B16R2.3814 CCSc1cc(c2cccnc2c1)OC 62a_100000210202_100010248854 [0,2,0,0,0,0|1,1,0]=4 7643 B16R2.3814 CCSc1cc(c2ncccc2c1)OC 62a_100000210202_100010248852 [0,2,0,0,0,0|1,1,0]=4 7644 B16R2.3814 CCSc1cc2ccccc2c(n1)OC 62a_100000210202_200000116906 [0,2,0,0,0,0|1,1,0]=4 7645 B16R2.21673 CCNc1cc(c2ncc(cc2c1)Br)Br 34a_100010069473_100000210202 [0,2,0,0,0,0|2,0,0]=4 7646 B16R2.21673 CCNc1cc(c2ncc(cc2c1)Br)Br 7a_100010069473_100000210202 [0,2,0,0,0,0|2,0,0]=4 7647 B16R2.21673 CCNc1cc(c2ncc(cc2c1)Br)F 34a_100010780968_100000210202 [0,2,0,0,0,0|2,0,0]=4 7648 B16R2.21673 CCNc1cc(c2ncc(cc2c1)Br)F 7a_100010780968_100000210202 [0,2,0,0,0,0|2,0,0]=4 7649 B16R2.21673 CCOc1cc(c2ccc(=O)oc2c1)C 34a_100000029242_100000210202 [0,2,0,0,0,0|1,0,0]=3 7650 B16R2.21673 CCOc1cc(c2ccc(=O)oc2c1)C 7a_100000029242_100000210202 [0,2,0,0,0,0|1,0,0]=3 7651 B16R2.21673 CCSc1cc(c2ccc(cc2n1)N)C 62a_100000210202_100000103534 [0,2,0,0,0,0|1,1,0]=4 7652 B16R2.21673 Cc1cc(cc2c1ccc(=O)o2)OCF 34a_100000029242_100015361967 [0,2,0,0,0,0|2,0,0]=4 7653 B16R2.21673 Cc1cc(cc2c1ccc(=O)o2)OCF 7a_100000029242_100015361967 [0,2,0,0,0,0|2,0,0]=4 7654 B16R2.21680 CC=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016259895_100010201084 [0,2,0,0,0,0|1,0,1]=4 7655 B16R2.21680 CCNc1cc(c2cc(ccc2n1)F)C 27a_100015525214_200000079853 [0,2,0,0,0,0|2,0,0]=4 7656 B16R2.21680 CCOc1cc(=O)n2cc(ccc2n1)Br 7a_100016101194_100000210202 [0,2,0,0,0,0|2,0,0]=4 7657 B16R2.21680 CCSc1cc(c2[nH]c(=O)ccc2c1)F 62a_100000210202_100012034177 [0,2,0,0,0,0|1,1,0]=4 7658 B16R2.21680 CCSc1cc(c2cc(ccc2c1)O)F 62a_100000210202_100010201084 [0,2,0,0,0,0|0,1,0]=3 7659 B16R2.21680 CCSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100000210202 [0,2,0,0,0,0|0,1,0]=3 7660 B16R2.21680 CCSc1cc(c2cc(ccc2n1)F)C 62a_100000210202_200000079853 [0,2,0,0,0,0|1,1,0]=4 7661 B16R2.21680 CCSc1cc(c2cc(ccc2n1)F)C 62a_200000079853_100000210202 [0,2,0,0,0,0|1,1,0]=4 7662 B16R2.21680 Oc1ccc2cc(cc(c2c1)F)SCF 62a_100010201084_100015361967 [0,2,0,0,0,0|1,1,0]=4 7663 B16R2.21680 Oc1ccc2cc(cc(c2c1)F)SCF 62a_100015361967_100010201084 [0,2,0,0,0,0|1,1,0]=4 7664 B16R2.21692 CCSc1cc(c2cccnc2c1O)Cl 62a_100000210202_100000211503 [0,2,0,0,0,0|1,1,0]=4 7665 B16R2.21692 CCSc1cc(c2ncccc2c1F)F 62a_100000210202_200009817093 [0,2,0,0,0,0|1,1,0]=4 7666 B16R2.21692 CCSc1cc(c2ncccc2c1F)F 62a_200009817093_100000210202 [0,2,0,0,0,0|1,1,0]=4 7667 B16R2.21692 CNCc1cc(c2ccccc2c1F)Br 207a_100102657272_100010235050 [0,2,0,0,0,0|2,0,0]=4 7668 B16R2.21692 CNCc1cc(c2ccccc2c1F)Br 270004a_106832991635_100010235050 [0,2,0,0,0,0|2,0,0]=4 7669 B16R2.21720 CCSc1cc(c2[nH]ccc(=O)c2c1)F 62a_100000210202_100000749450 [0,2,0,0,0,0|1,1,0]=4 7670 B16R2.21720 CCSc1cc(c2cccc(c2n1)C)C 62a_100000008058_100000210202 [0,2,0,0,0,0|1,1,0]=4 7671 B16R2.21720 CCSc1cc(c2cccc(c2n1)C)C 62a_100000210202_100000008058 [0,2,0,0,0,0|1,1,0]=4 7672 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)N)C 271570a_100102525489_100010171453 [0,2,0,0,0,0|1,0,1]=4 7673 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)O)C 271570a_100102525489_100010089979 [0,2,0,0,0,0|1,0,1]=4 7674 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 11a_100010089974_100015343762 [0,2,0,0,0,0|1,0,1]=4 7675 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 1626a_100010089974_100015343762 [0,2,0,0,0,0|1,0,1]=4 7676 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 22a_100010089974_100000070787 [0,2,0,0,0,0|1,0,1]=4 7677 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 527a_100010089974_100103153847 [0,2,0,0,0,0|1,0,1]=4 7678 B16R2.24933 CC(C)Nc1cc(c2ccccc2c1)Br 34a_100010089974_100000210206 [0,2,0,0,0,0|1,0,0]=3 7679 B16R2.24933 CC(C)Nc1cc(c2ccccc2c1)Br 7a_100010089974_100000210206 [0,2,0,0,0,0|1,0,0]=3 7680 B16R2.24933 CC(C)Nc1cc(c2cnccc2c1)F 27a_100138425928_100011068762 [0,2,0,0,0,0|2,0,0]=4 7681 B16R2.24933 CC(C)Nc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210206 [0,2,0,0,0,0|2,0,0]=4 7682 B16R2.24933 CC(C)Oc1cc(=O)n2ccccc2n1 34a_100000751361_100000210206 [0,2,0,0,0,0|2,0,0]=4 7683 B16R2.24933 CC(C)Oc1cc(c2ccccc2c1)Br 34a_100010001680_100000210206 [0,2,0,0,0,0|0,0,0]=2 7684 B16R2.24933 CC(C)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100000210206 [0,2,0,0,0,0|0,0,0]=2 7685 B16R2.24933 CC(C)Oc1cc(c2cnccc2c1)Br 34a_100011009069_100000210206 [0,2,0,0,0,0|1,0,0]=3 7686 B16R2.24933 CC(C)Oc1cc(c2cnccc2c1)Br 7a_100011009069_100000210206 [0,2,0,0,0,0|1,0,0]=3 7687 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210206 [0,2,0,0,0,0|1,0,0]=3 7688 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210206 [0,2,0,0,0,0|1,0,0]=3 7689 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)F 34a_100009888031_100000210206 [0,2,0,0,0,0|1,0,0]=3 7690 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)F 7a_100009888031_100000210206 [0,2,0,0,0,0|1,0,0]=3 7691 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)N 34a_100000083691_100000210206 [0,2,0,0,0,0|1,0,0]=3 7692 B16R2.24933 CC(C)Sc1cc(=O)c2ccccc2[nH]1 62a_100000210206_100000090176 [0,2,0,0,0,0|1,1,0]=4 7693 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)N 62a_100000210206_100010171453 [0,2,0,0,0,0|0,1,0]=3 7694 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)N 62a_100010171453_100000210206 [0,2,0,0,0,0|0,1,0]=3 7695 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)O 62a_100000210206_100010089979 [0,2,0,0,0,0|0,1,0]=3 7696 B16R2.24933 CC(C)Sc1cc(c2ccccc2n1)N 62a_100010197925_100000210206 [0,2,0,0,0,0|1,1,0]=4 7697 B16R2.24933 CC(C)Sc1cc(c2cccnc2c1)N 62a_100000210206_200010263263 [0,2,0,0,0,0|1,1,0]=4 7698 B16R2.24933 CC(C)Sc1cc(c2cccnc2c1)N 62a_200010263263_100000210206 [0,2,0,0,0,0|1,1,0]=4 7699 B16R2.24933 CC(C)Sc1cc(c2cnccc2c1)F 62a_100000210206_100011068762 [0,2,0,0,0,0|1,1,0]=4 7700 B16R2.24933 CC(C)Sc1cc(c2cnccc2c1)F 62a_100011068762_100000210206 [0,2,0,0,0,0|1,1,0]=4 7701 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)Cl 62a_100000210206_200010369337 [0,2,0,0,0,0|1,1,0]=4 7702 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)F 62a_100000210206_100010234705 [0,2,0,0,0,0|1,1,0]=4 7703 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)F 62a_100010234705_100000210206 [0,2,0,0,0,0|1,1,0]=4 7704 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)N 62a_100000210206_100009814519 [0,2,0,0,0,0|1,1,0]=4 7705 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)O 62a_100000210206_100010248853 [0,2,0,0,0,0|1,1,0]=4 7706 B16R2.24933 CC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000210206_200015811170 [0,2,0,0,0,0|1,1,0]=4 7707 B16R2.24933 CC(C)Sc1cc2ccccc2c(n1)N 62a_100000210206_100009957331 [0,2,0,0,0,0|1,1,0]=4 7708 B16R2.24933 CC(C)Sc1cc2ccccc2c(n1)N 62a_100009957331_100000210206 [0,2,0,0,0,0|1,1,0]=4 7709 B16R2.24933 Cc1cc(cc2c1nccc2)SC(C)C 62a_100000210206_100010130319 [0,2,0,0,0,0|1,1,0]=4 7710 B16R2.24933 Cc1cc(nc2c1cccc2)NC(C)C 27a_100138425928_100000184993 [0,2,0,0,0,0|2,0,0]=4 7711 B16R2.24933 Cc1cc(nc2c1cccc2)SC(C)C 62a_100000210206_100000184993 [0,2,0,0,0,0|1,1,0]=4 7712 B16R2.24933 Cc1cc(nc2c1cccc2)SC(C)C 62a_100012354972_100000210206 [0,2,0,0,0,0|1,1,0]=4 7713 B16R2.33887 CCC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100000210202 [0,2,0,0,0,0|2,0,0]=4 7714 B16R2.114016 CCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100000210202 [0,2,0,0,0,0|0,0,0]=2 7715 B16R2.114016 CCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100000210202 [0,2,0,0,0,0|0,0,0]=2 7716 B16R2.114016 CNCc1cc(c2c(cccc2c1)Cl)Br 26a_100102657272_103552013942 [0,2,0,0,0,0|2,0,0]=4 7717 B16R2.114016 FCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100015361967 [0,2,0,0,0,0|1,0,0]=3 7718 B16R2.114016 FCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100015361967 [0,2,0,0,0,0|1,0,0]=3 7719 B16R2.64 CC=Cc1cc2ccccc2cc1OC 271570a_100016259895_100009817100 [0,2,0,0,0,0|1,0,1]=4 7720 B16R2.64 CCNc1nc2ccccc2cc1C#N 27a_100015525214_100015207123 [0,2,0,0,0,0|2,0,0]=4 7721 B16R2.64 CCNc1nc2ccccc2cc1CC 27a_100015525214_100011829826 [0,2,0,0,0,0|2,0,0]=4 7722 B16R2.64 CCNc1nc2ccccc2cc1CO 27a_100015525214_100000754719 [0,2,0,0,0,0|2,0,0]=4 7723 B16R2.64 CCOc1cc2ccccc2cc1C#N 34a_100009851763_100000210202 [0,2,0,0,0,0|0,0,0]=2 7724 B16R2.64 CCOc1cc2ccccc2cc1C#N 7a_100009851763_100000210202 [0,2,0,0,0,0|0,0,0]=2 7725 B16R2.64 CCOc1cc2ccccc2cc1OC 34a_200011203880_100000210202 [0,2,0,0,0,0|0,0,0]=2 7726 B16R2.64 CCOc1cc2ccccc2cc1OC 7a_200011203880_100000210202 [0,2,0,0,0,0|0,0,0]=2 7727 B16R2.64 CCSc1cc2ccccc2cc1OC 62a_100000210202_100009817100 [0,2,0,0,0,0|0,1,0]=3 7728 B16R2.64 CCSc1cc2ccccc2cc1OC 62a_100009817100_100000210202 [0,2,0,0,0,0|0,1,0]=3 7729 B16R2.64 CCSc1cc2ccccc2nc1OC 62a_100000210202_100009820890 [0,2,0,0,0,0|1,1,0]=4 7730 B16R2.64 CCSc1cc2ccccc2nc1OC 62a_100009820890_100000210202 [0,2,0,0,0,0|1,1,0]=4 7731 B16R2.64 CCSc1cc2cccnc2cc1OC 62a_100000210202_100020706834 [0,2,0,0,0,0|1,1,0]=4 7732 B16R2.64 CCSc1cc2cccnc2cc1OC 62a_100020706834_100000210202 [0,2,0,0,0,0|1,1,0]=4 7733 B16R2.64 CCSc1cc2cnccc2cc1OC 62a_100000210202_100010990640 [0,2,0,0,0,0|1,1,0]=4 7734 B16R2.64 CCSc1cc2cnccc2cc1OC 62a_100010990640_100000210202 [0,2,0,0,0,0|1,1,0]=4 7735 B16R2.64 CCSc1cc2ncccc2cc1OC 62a_100000210202_100011093944 [0,2,0,0,0,0|1,1,0]=4 7736 B16R2.64 CCSc1cc2ncccc2cc1OC 62a_100011093944_100000210202 [0,2,0,0,0,0|1,1,0]=4 7737 B16R2.64 CCSc1nc2ccccc2cc1C#N 62a_100000210202_100015207123 [0,2,0,0,0,0|1,1,0]=4 7738 B16R2.64 CCSc1nc2ccccc2cc1C=O 62a_100000210202_100000183649 [0,2,0,0,0,0|1,1,0]=4 7739 B16R2.64 CCSc1nc2ccccc2cc1CC 62a_100000210202_100011829826 [0,2,0,0,0,0|1,1,0]=4 7740 B16R2.64 CCSc1nc2ccccc2cc1CO 62a_100000210202_100000754719 [0,2,0,0,0,0|1,1,0]=4 7741 B16R2.64 CNCc1cc2ccccc2cc1OC 207a_100102657272_100000118225 [0,2,0,0,0,0|2,0,0]=4 7742 B16R2.64 CNCc1cc2ccccc2cc1OC 270004a_106832991635_100000118225 [0,2,0,0,0,0|2,0,0]=4 7743 B16R2.64 COCc1cc2ccccc2cc1OC 34a_200000067032_200000210301 [0,2,0,0,0,0|2,0,0]=4 7744 B16R2.64 COCc1cc2ccccc2cc1OC 7a_200000067032_200000210301 [0,2,0,0,0,0|2,0,0]=4 7745 B16R2.64 COc1cc2ccccc2cc1CO[13CH3] 34a_200000067032_200025704644 [0,2,0,0,0,0|2,0,0]=4 7746 B16R2.64 COc1cc2ccccc2cc1CO[13CH3] 7a_200000067032_200025704644 [0,2,0,0,0,0|2,0,0]=4 7747 B16R2.64 COc1cc2ccccc2cc1OCF 34a_200011203880_100015361967 [0,2,0,0,0,0|1,0,0]=3 7748 B16R2.64 COc1cc2ccccc2cc1OCF 7a_200011203880_100015361967 [0,2,0,0,0,0|1,0,0]=3 7749 B16R2.64 COc1cc2ccccc2cc1SCF 62a_100009817100_100015361967 [0,2,0,0,0,0|1,1,0]=4 7750 B16R2.64 COc1cc2ccccc2cc1SCF 62a_100015361967_100009817100 [0,2,0,0,0,0|1,1,0]=4 7751 B16R2.64 N#Cc1cc2ccccc2cc1OCF 34a_100009851763_100015361967 [0,2,0,0,0,0|1,0,0]=3 7752 B16R2.64 N#Cc1cc2ccccc2cc1OCF 7a_100009851763_100015361967 [0,2,0,0,0,0|1,0,0]=3 7753 B16R2.3989 CC(=Cc1cc2ccccc2cc1Br)C 271570a_100102525489_200010169544 [0,2,0,0,0,0|1,0,1]=4 7754 B16R2.3989 CC(=Cc1cc2ccccc2cc1Cl)C 271570a_100102525489_100010152806 [0,2,0,0,0,0|1,0,1]=4 7755 B16R2.3989 CC(=Cc1cc2ccccc2cc1N)C 271570a_100102525489_100009991566 [0,2,0,0,0,0|1,0,1]=4 7756 B16R2.3989 CC(=Cc1cc2ccccc2cc1O)C 271570a_100102525489_100009817189 [0,2,0,0,0,0|1,0,1]=4 7757 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1Br 11a_100009991566_100015343762 [0,2,0,0,0,0|1,0,1]=4 7758 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1Br 1626a_100009991566_100015343762 [0,2,0,0,0,0|1,0,1]=4 7759 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1I 11a_100009892810_100015343762 [0,2,0,0,0,0|1,0,1]=4 7760 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1I 1626a_100009892810_100015343762 [0,2,0,0,0,0|1,0,1]=4 7761 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1O 22a_106744474703_100000070787 [0,2,0,0,0,0|1,0,1]=4 7762 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1O 527a_106744474703_100103153847 [0,2,0,0,0,0|1,0,1]=4 7763 B16R2.3989 CC(C)Nc1cc2ccccc2cc1Br 34a_100009991566_100000210206 [0,2,0,0,0,0|1,0,0]=3 7764 B16R2.3989 CC(C)Nc1cc2ccccc2cc1Br 7a_100009991566_100000210206 [0,2,0,0,0,0|1,0,0]=3 7765 B16R2.3989 CC(C)Oc1cc2ccccc2cc1Br 34a_100009817189_100000210206 [0,2,0,0,0,0|0,0,0]=2 7766 B16R2.3989 CC(C)Oc1cc2ccccc2cc1Br 7a_100009817189_100000210206 [0,2,0,0,0,0|0,0,0]=2 7767 B16R2.3989 CC(C)Oc1cc2ccccc2cc1N 34a_106744474703_100000210206 [0,2,0,0,0,0|0,0,0]=2 7768 B16R2.3989 CC(C)Oc1cc2ccccc2cc1N 7a_106744474703_100000210206 [0,2,0,0,0,0|0,0,0]=2 7769 B16R2.3989 CC(C)Oc1cc2ccccc2nc1Cl 34a_200000100762_100000210206 [0,2,0,0,0,0|1,0,0]=3 7770 B16R2.3989 CC(C)Oc1cc2ccccc2nc1Cl 7a_200000100762_100000210206 [0,2,0,0,0,0|1,0,0]=3 7771 B16R2.3989 CC(C)Oc1cc2ccccc2oc1=O 7a_100000061252_100000210206 [0,2,0,0,0,0|1,0,0]=3 7772 B16R2.3989 CC(C)Oc1cc2cccnc2cc1Br 34a_200010153759_100000210206 [0,2,0,0,0,0|1,0,0]=3 7773 B16R2.3989 CC(C)Oc1cc2cccnc2cc1Br 7a_200010153759_100000210206 [0,2,0,0,0,0|1,0,0]=3 7774 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Br 62a_100000210206_200010169544 [0,2,0,0,0,0|0,1,0]=3 7775 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Br 62a_200010169544_100000210206 [0,2,0,0,0,0|0,1,0]=3 7776 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Cl 62a_100000210206_100010152806 [0,2,0,0,0,0|0,1,0]=3 7777 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Cl 62a_100010152806_100000210206 [0,2,0,0,0,0|0,1,0]=3 7778 B16R2.3989 CC(C)Sc1cc2ccccc2cc1N 62a_100000210206_100009991566 [0,2,0,0,0,0|0,1,0]=3 7779 B16R2.3989 CC(C)Sc1cc2ccccc2cc1N 62a_100009991566_100000210206 [0,2,0,0,0,0|0,1,0]=3 7780 B16R2.3989 CC(C)Sc1cc2ccccc2cc1O 62a_100000210206_100009817189 [0,2,0,0,0,0|0,1,0]=3 7781 B16R2.3989 CC(C)Sc1cc2ccccc2nc1Cl 62a_100000210206_100010220712 [0,2,0,0,0,0|1,1,0]=4 7782 B16R2.3989 CC(C)Sc1cc2ccccc2nc1F 62a_100000210206_100011158909 [0,2,0,0,0,0|1,1,0]=4 7783 B16R2.3989 CC(C)Sc1cc2ccccc2nc1F 62a_100011158909_100000210206 [0,2,0,0,0,0|1,1,0]=4 7784 B16R2.3989 CC(C)Sc1cc2ccccc2nc1N 62a_100010135404_100000210206 [0,2,0,0,0,0|1,1,0]=4 7785 B16R2.3989 CC(C)Sc1cc2ccccc2nc1O 62a_100000210206_200009820883 [0,2,0,0,0,0|1,1,0]=4 7786 B16R2.3989 CC(C)Sc1cc2ccccc2oc1=O 62a_100000210206_200000187772 [0,2,0,0,0,0|1,1,0]=4 7787 B16R2.3989 CC(C)Sc1cc2cccnc2cc1F 62a_100000210206_100009854028 [0,2,0,0,0,0|1,1,0]=4 7788 B16R2.3989 CC(C)Sc1cc2cccnc2cc1F 62a_100009854028_100000210206 [0,2,0,0,0,0|1,1,0]=4 7789 B16R2.3989 CC(C)Sc1cc2ccncc2cc1F 62a_100000210206_100011105921 [0,2,0,0,0,0|1,1,0]=4 7790 B16R2.3989 CC(C)Sc1cc2ccncc2cc1F 62a_100011105921_100000210206 [0,2,0,0,0,0|1,1,0]=4 7791 B16R2.3989 CC(C)Sc1cc2cnccc2cc1F 62a_100000210206_100010244713 [0,2,0,0,0,0|1,1,0]=4 7792 B16R2.3989 CC(C)Sc1cc2cnccc2cc1F 62a_100010244713_100000210206 [0,2,0,0,0,0|1,1,0]=4 7793 B16R2.3989 CC(C)Sc1cc2ncccc2cc1O 62a_100000210206_200010153759 [0,2,0,0,0,0|1,1,0]=4 7794 B16R2.3989 CC(C)Sc1nc2ccccc2cc1Br 62a_100000210206_100010072790 [0,2,0,0,0,0|1,1,0]=4 7795 B16R2.3989 CC(C)Sc1nc2ccccc2cc1Br 62a_100010072790_100000210206 [0,2,0,0,0,0|1,1,0]=4 7796 B16R2.3989 CC(C)Sc1nc2ccccc2cc1O 62a_100000210206_200000100762 [0,2,0,0,0,0|1,1,0]=4 7797 B16R2.3989 Cc1cc2ccccc2cc1OC(C)C 34a_100000091601_100000210206 [0,2,0,0,0,0|0,0,0]=2 7798 B16R2.3989 Cc1cc2ccccc2cc1OC(C)C 7a_100000091601_100000210206 [0,2,0,0,0,0|0,0,0]=2 7799 B16R2.3989 Cc1cc2ccccc2nc1NC(C)C 27a_100138425928_100000751756 [0,2,0,0,0,0|2,0,0]=4 7800 B16R2.3989 Cc1cc2ccccc2nc1SC(C)C 62a_100000210206_100000751756 [0,2,0,0,0,0|1,1,0]=4 7801 B16R2.3989 Cc1cc2ncccc2cc1SC(C)C 62a_100000210206_100010137429 [0,2,0,0,0,0|1,1,0]=4 7802 B16R2.3989 Cc1cc2ncccc2cc1SC(C)C 62a_100010137429_100000210206 [0,2,0,0,0,0|1,1,0]=4 7803 B16R2.3989 Cc1nc2ccccc2cc1OC(C)C 34a_200000079175_100000210206 [0,2,0,0,0,0|1,0,0]=3 7804 B16R2.3989 Cc1nc2ccccc2cc1OC(C)C 7a_200000079175_100000210206 [0,2,0,0,0,0|1,0,0]=3 7805 B16R2.5844 CCSc1c(c2ccccc2oc1=O)O 62a_100000210202_100009994742 [0,2,0,0,0,0|1,1,0]=4 7806 B16R2.5844 CCSc1c(cc2ncccc2c1F)F 62a_100000210202_100010163946 [0,2,0,0,0,0|1,1,0]=4 7807 B16R2.5844 CCSc1c(cc2ncccc2c1F)F 62a_100010163946_100000210202 [0,2,0,0,0,0|1,1,0]=4 7808 B16R2.5844 CCSc1c(nc2ccccc2c1C)O 62a_100000210202_100009820873 [0,2,0,0,0,0|1,1,0]=4 7809 B16R2.6501 CC=Cc1cc2ccc(cc2cc1O)O 271570a_100016259895_100010179872 [0,2,0,0,0,0|1,0,1]=4 7810 B16R2.6501 CCSc1cc2ccc(cc2cc1O)O 62a_100000210202_100010179872 [0,2,0,0,0,0|0,1,0]=3 7811 B16R2.6501 Oc1ccc2cc(c(cc2c1)O)SCF 62a_100015361967_100010179872 [0,2,0,0,0,0|1,1,0]=4 7812 B16R2.6538 CCSc1cc2cc(cnc2cc1F)N 62a_100000210202_100021278121 [0,2,0,0,0,0|1,1,0]=4 7813 B16R2.6538 CCSc1cc2cc(cnc2cc1F)N 62a_100021278121_100000210202 [0,2,0,0,0,0|1,1,0]=4 7814 B16R2.33941 CCC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100000210202 [0,2,0,0,0,0|1,0,0]=3 7815 B16R2.33941 CCC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100000210202 [0,2,0,0,0,0|1,0,0]=3 7816 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 11a_106832991635_100010003416 [0,2,0,0,0,0|2,0,0]=4 7817 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 1626a_100102657272_100010003416 [0,2,0,0,0,0|2,0,0]=4 7818 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 240690a_100102657272_100010003416 [0,2,0,0,0,0|2,0,0]=4 7819 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 527a_100102657272_100010003416 [0,2,0,0,0,0|2,0,0]=4 7820 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 11a_106832991635_100000212107 [0,2,0,0,0,0|2,0,0]=4 7821 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 1626a_100102657272_100000212107 [0,2,0,0,0,0|2,0,0]=4 7822 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 240690a_100102657272_100000212107 [0,2,0,0,0,0|2,0,0]=4 7823 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 527a_100102657272_100000212107 [0,2,0,0,0,0|2,0,0]=4 7824 B16R2.33941 O=C(CF)c1cc2ccccc2cc1Cl 1458a_100010003416_100015361967 [0,2,0,0,0,0|2,0,0]=4 7825 B16R2.33941 O=C(CF)c1cc2ccccc2cc1O 1458a_100000212107_100015361967 [0,2,0,0,0,0|2,0,0]=4 7826 B16R2.1205 CCC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100000210202 [0,2,0,0,0,0|1,0,0]=3 7827 B16R2.1205 CCC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_100000210202 [0,2,0,0,0,0|2,0,0]=4 7828 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 11a_106832991635_200010152650 [0,2,0,0,0,0|2,0,0]=4 7829 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 1626a_100102657272_200010152650 [0,2,0,0,0,0|2,0,0]=4 7830 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 240690a_100102657272_200010152650 [0,2,0,0,0,0|2,0,0]=4 7831 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 527a_100102657272_200010152650 [0,2,0,0,0,0|2,0,0]=4 7832 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)O 240690a_100102657272_100009860967 [0,2,0,0,0,0|2,0,0]=4 7833 B16R2.1205 O=C(CF)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7834 B16R2.11975 CC(=Cc1ccc2ccc(cc2c1)N)C 271570a_100102525489_100010090036 [0,2,0,0,0,0|1,0,1]=4 7835 B16R2.11975 CC(=Cc1ccc2ccc(cc2c1)O)C 271570a_100102525489_100009816537 [0,2,0,0,0,0|1,0,1]=4 7836 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 11a_100010090036_100015343762 [0,2,0,0,0,0|1,0,1]=4 7837 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 1626a_100010090036_100015343762 [0,2,0,0,0,0|1,0,1]=4 7838 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 22a_100010090036_100000070787 [0,2,0,0,0,0|1,0,1]=4 7839 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 527a_100010090036_100103153847 [0,2,0,0,0,0|1,0,1]=4 7840 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 1626a_100015378740_100015343762 [0,2,0,0,0,0|1,0,1]=4 7841 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 22a_100015378740_100000070787 [0,2,0,0,0,0|1,0,1]=4 7842 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 527a_100015378740_100103153847 [0,2,0,0,0,0|1,0,1]=4 7843 B16R2.11975 CC(=O)Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010116267 [0,2,0,0,0,0|1,0,1]=4 7844 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210206 [0,2,0,0,0,0|1,0,0]=3 7845 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210206 [0,2,0,0,0,0|1,0,0]=3 7846 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)O 34a_100015378740_100000210206 [0,2,0,0,0,0|1,0,0]=3 7847 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)O 7a_100015378740_100000210206 [0,2,0,0,0,0|1,0,0]=3 7848 B16R2.11975 CC(C)Nc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210206 [0,2,0,0,0,0|2,0,0]=4 7849 B16R2.11975 CC(C)Oc1cc2cc(ccc2cn1)F 34a_200000101709_100000210206 [0,2,0,0,0,0|1,0,0]=3 7850 B16R2.11975 CC(C)Oc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210206 [0,2,0,0,0,0|1,0,0]=3 7851 B16R2.11975 CC(C)Oc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210206 [0,2,0,0,0,0|1,0,0]=3 7852 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210206 [0,2,0,0,0,0|0,0,0]=2 7853 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210206 [0,2,0,0,0,0|0,0,0]=2 7854 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)N 34a_100015378740_100000210206 [0,2,0,0,0,0|0,0,0]=2 7855 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100000210206 [0,2,0,0,0,0|0,0,0]=2 7856 B16R2.11975 CC(C)Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210206 [0,2,0,0,0,0|1,0,0]=3 7857 B16R2.11975 CC(C)Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210206 [0,2,0,0,0,0|1,0,0]=3 7858 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210206 [0,2,0,0,0,0|1,0,0]=3 7859 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210206 [0,2,0,0,0,0|1,0,0]=3 7860 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210206 [0,2,0,0,0,0|1,0,0]=3 7861 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210206 [0,2,0,0,0,0|1,0,0]=3 7862 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)F 34a_100009845357_100000210206 [0,2,0,0,0,0|1,0,0]=3 7863 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)F 7a_100009845357_100000210206 [0,2,0,0,0,0|1,0,0]=3 7864 B16R2.11975 CC(C)Oc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210206 [0,2,0,0,0,0|2,0,0]=4 7865 B16R2.11975 CC(C)Oc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210206 [0,2,0,0,0,0|1,0,0]=3 7866 B16R2.11975 CC(C)Oc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210206 [0,2,0,0,0,0|1,0,0]=3 7867 B16R2.11975 CC(C)Sc1cc2cc(ccc2cn1)F 62a_100000210206_100009828686 [0,2,0,0,0,0|1,1,0]=4 7868 B16R2.11975 CC(C)Sc1cc2cc(ccc2cn1)F 62a_100009828686_100000210206 [0,2,0,0,0,0|1,1,0]=4 7869 B16R2.11975 CC(C)Sc1ccc2cc[n+](cc2c1)[O-] 62a_100000210206_100009816120 [0,2,0,0,0,0|1,1,0]=4 7870 B16R2.11975 CC(C)Sc1ccc2ccc(=O)oc2c1 62a_100000210206_100009993525 [0,2,0,0,0,0|1,1,0]=4 7871 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)N 62a_100000210206_100010090036 [0,2,0,0,0,0|0,1,0]=3 7872 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)N 62a_100010090036_100000210206 [0,2,0,0,0,0|0,1,0]=3 7873 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)O 62a_100000210206_100009816537 [0,2,0,0,0,0|0,1,0]=3 7874 B16R2.11975 CC(C)Sc1ccc2ccc(cc2n1)O 62a_100000210206_100000079174 [0,2,0,0,0,0|1,1,0]=4 7875 B16R2.11975 CC(C)Sc1ccc2ccc(nc2c1)N 62a_100010187616_100000210206 [0,2,0,0,0,0|1,1,0]=4 7876 B16R2.11975 CC(C)Sc1ccc2ccc(nc2c1)O 62a_100000210206_100000690401 [0,2,0,0,0,0|1,1,0]=4 7877 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)F 62a_100000210206_100010291885 [0,2,0,0,0,0|1,1,0]=4 7878 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)F 62a_100010291885_100000210206 [0,2,0,0,0,0|1,1,0]=4 7879 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)N 62a_100000210206_100009817123 [0,2,0,0,0,0|1,1,0]=4 7880 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)N 62a_100009817123_100000210206 [0,2,0,0,0,0|1,1,0]=4 7881 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)O 62a_100000210206_100009817130 [0,2,0,0,0,0|1,1,0]=4 7882 B16R2.11975 CC(C)Sc1ccc2ncc(cc2c1)Br 62a_100000210206_200010254249 [0,2,0,0,0,0|1,1,0]=4 7883 B16R2.11975 CC(C)Sc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210206 [0,2,0,0,0,0|1,1,0]=4 7884 B16R2.11975 CC(C)Sc1ccc2ncc(cc2c1)O 62a_100000210206_100000703654 [0,2,0,0,0,0|1,1,0]=4 7885 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Br 62a_100000210206_100010740133 [0,2,0,0,0,0|1,1,0]=4 7886 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210206 [0,2,0,0,0,0|1,1,0]=4 7887 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Cl 62a_100000210206_100015929906 [0,2,0,0,0,0|1,1,0]=4 7888 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210206 [0,2,0,0,0,0|1,1,0]=4 7889 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)N 62a_100000210206_100009888932 [0,2,0,0,0,0|1,1,0]=4 7890 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)N 62a_100009888932_100000210206 [0,2,0,0,0,0|1,1,0]=4 7891 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)O 62a_100000210206_100010137430 [0,2,0,0,0,0|1,1,0]=4 7892 B16R2.11975 CN(C)Cc1ccc2ccc(cc2c1)Br 270004a_100102631434_100010200085 [0,2,0,0,0,0|2,0,0]=4 7893 B16R2.11975 Cc1ccc2ccc(cc2c1)OC(C)C 34a_100000091598_100000210206 [0,2,0,0,0,0|0,0,0]=2 7894 B16R2.11975 Cc1ccc2ccc(cc2c1)OC(C)C 7a_100000091598_100000210206 [0,2,0,0,0,0|0,0,0]=2 7895 B16R2.11975 Cc1ccc2ccc(cc2n1)OC(C)C 34a_100009867695_100000210206 [0,2,0,0,0,0|1,0,0]=3 7896 B16R2.11975 Cc1ccc2ccc(cc2n1)OC(C)C 7a_100009867695_100000210206 [0,2,0,0,0,0|1,0,0]=3 7897 B16R2.11975 Cc1ccc2ccc(cc2n1)SC(C)C 62a_100000210206_100009817087 [0,2,0,0,0,0|1,1,0]=4 7898 B16R2.11975 Cc1ccc2ccc(cc2n1)SC(C)C 62a_100009817087_100000210206 [0,2,0,0,0,0|1,1,0]=4 7899 B16R2.11975 Cc1ccc2ncc(cc2c1)SC(C)C 62a_100000210206_100015841224 [0,2,0,0,0,0|1,1,0]=4 7900 B16R2.11975 Cc1cnc2ccc(cc2c1)SC(C)C 62a_100000210206_100009817055 [0,2,0,0,0,0|1,1,0]=4 7901 B16R2.28224 CCSc1c[nH]c2ccc(cc2c1=O)Br 62a_100012348040_100000210202 [0,2,0,0,0,0|1,1,0]=4 7902 B16R2.28224 CCSc1coc2ccc(cc2c1=O)C 62a_100000210202_200010005421 [0,2,0,0,0,0|1,1,0]=4 7903 B16R2.28224 CCSc1coc2ccc(cc2c1=O)Cl 62a_100000210202_200010204847 [0,2,0,0,0,0|1,1,0]=4 7904 B16R2.28224 CCSc1coc2ccc(cc2c1=O)F 62a_100000210202_200009813772 [0,2,0,0,0,0|1,1,0]=4 7905 B16R2.28226 C=Cc1ccc2ccc(nc2c1)OCC 271570a_100011290941_200010874322 [0,2,0,0,0,0|1,0,0]=3 7906 B16R2.28226 CC=Cc1ccc2ccc(cc2c1)C=O 271570a_100016259895_100010200085 [0,2,0,0,0,0|1,0,1]=4 7907 B16R2.28226 CC=Cc1ccc2ccc(cc2c1)OC 271570a_100016259895_100010090027 [0,2,0,0,0,0|1,0,1]=4 7908 B16R2.28226 CCNc1ccc2ccc(cc2n1)OC 27a_100015525214_100009877240 [0,2,0,0,0,0|2,0,0]=4 7909 B16R2.28226 CCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000210202 [0,2,0,0,0,0|0,0,0]=2 7910 B16R2.28226 CCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000210202 [0,2,0,0,0,0|0,0,0]=2 7911 B16R2.28226 CCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100000210202 [0,2,0,0,0,0|0,0,0]=2 7912 B16R2.28226 CCOc1ccc2ccc(cc2c1)OC 34a_100011262222_200000210301 [0,2,0,0,0,0|0,0,0]=2 7913 B16R2.28226 CCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000210202 [0,2,0,0,0,0|0,0,0]=2 7914 B16R2.28226 CCOc1ccc2ccc(cc2c1)OC 7a_100011262222_200000210301 [0,2,0,0,0,0|0,0,0]=2 7915 B16R2.28226 CCOc1ccc2ccc(cc2c1)O[13CH3] 34a_100011262222_200025704644 [0,2,0,0,0,0|0,0,0]=2 7916 B16R2.28226 CCOc1ccc2ccc(cc2c1)O[13CH3] 7a_100011262222_200025704644 [0,2,0,0,0,0|0,0,0]=2 7917 B16R2.28226 CCSc1ccc2ccc(cc2c1)C=O 62a_100000210202_100010200085 [0,2,0,0,0,0|0,1,0]=3 7918 B16R2.28226 CCSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100000210202 [0,2,0,0,0,0|0,1,0]=3 7919 B16R2.28226 CCSc1ccc2ccc(cc2c1)OC 62a_100000210202_100010090027 [0,2,0,0,0,0|0,1,0]=3 7920 B16R2.28226 CCSc1ccc2ccc(cc2n1)OC 62a_100000210202_100009877240 [0,2,0,0,0,0|1,1,0]=4 7921 B16R2.28226 CCSc1ccc2ccc(nc2c1)OC 62a_100000210202_100010248626 [0,2,0,0,0,0|1,1,0]=4 7922 B16R2.28226 CCSc1ccc2ccc(nc2c1)OC 62a_100010248626_100000210202 [0,2,0,0,0,0|1,1,0]=4 7923 B16R2.28226 CCSc1ccc2ncc(cc2c1)C#N 62a_100000210202_100010885934 [0,2,0,0,0,0|1,1,0]=4 7924 B16R2.28226 CCSc1ccc2ncc(cc2c1)C=O 62a_100000210202_100010174008 [0,2,0,0,0,0|1,1,0]=4 7925 B16R2.28226 CCSc1ccc2ncc(cc2c1)C=O 62a_100010174008_100000210202 [0,2,0,0,0,0|1,1,0]=4 7926 B16R2.28226 CCSc1cnc2ccc(cc2c1)OC 62a_100000210202_100000700671 [0,2,0,0,0,0|1,1,0]=4 7927 B16R2.28226 COCc1ccc2ccc(cc2c1)OC 34a_100009888446_200000210301 [0,2,0,0,0,0|2,0,0]=4 7928 B16R2.28226 COCc1ccc2ccc(cc2c1)OC 7a_100009888446_200000210301 [0,2,0,0,0,0|2,0,0]=4 7929 B16R2.28226 COc1ccc2ccc(cc2c1)CO[13CH3] 34a_100009888446_200025704644 [0,2,0,0,0,0|2,0,0]=4 7930 B16R2.28226 COc1ccc2ccc(cc2c1)CO[13CH3] 7a_100009888446_200025704644 [0,2,0,0,0,0|2,0,0]=4 7931 B16R2.28226 COc1ccc2ccc(cc2c1)OCF 34a_100000179802_100015361967 [0,2,0,0,0,0|1,0,0]=3 7932 B16R2.28226 COc1ccc2ccc(cc2c1)OCF 7a_100000179802_100015361967 [0,2,0,0,0,0|1,0,0]=3 7933 B16R2.28226 COc1ccc2ccc(cc2c1)SCF 62a_100015361967_100010090027 [0,2,0,0,0,0|1,1,0]=4 7934 B16R2.28226 N#Cc1ccc2ccc(cc2c1)OCF 34a_100000090773_100015361967 [0,2,0,0,0,0|1,0,0]=3 7935 B16R2.28226 N#Cc1ccc2ccc(cc2c1)OCF 7a_100000090773_100015361967 [0,2,0,0,0,0|1,0,0]=3 7936 B16R2.28226 O=Cc1ccc2ccc(cc2c1)SCF 62a_100010200085_100015361967 [0,2,0,0,0,0|1,1,0]=4 7937 B16R2.28226 O=Cc1ccc2ccc(cc2c1)SCF 62a_100015361967_100010200085 [0,2,0,0,0,0|1,1,0]=4 7938 B16R2.28261 CCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000210202 [0,2,0,0,0,0|0,0,0]=2 7939 B16R2.28261 CCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000210202 [0,2,0,0,0,0|0,0,0]=2 7940 B16R2.28261 CCOc1ccc2ccc(c(c2n1)C)Cl 34a_100000697521_100000210202 [0,2,0,0,0,0|1,0,0]=3 7941 B16R2.28261 CCOc1ccc2ncc(c(c2c1)O)O 271570a_203496583355_200012351741 [0,2,0,0,0,0|1,0,0]=3 7942 B16R2.28261 CCOc1ccc2ncn(c(=O)c2c1)C 7a_200000716950_100000210202 [0,2,0,0,0,0|2,0,0]=4 7943 B16R2.28261 CCSc1ccc2ccc(=O)n(c2c1)C 62a_100000210202_200010167779 [0,2,0,0,0,0|1,1,0]=4 7944 B16R2.28261 CCSc1ccc2ccc(=O)n(c2c1)C 62a_200010167779_100000210202 [0,2,0,0,0,0|1,1,0]=4 7945 B16R2.28261 CCSc1ccc2ccn(c(=O)c2c1)C 62a_100000210202_100010371002 [0,2,0,0,0,0|1,1,0]=4 7946 B16R2.28261 CCSc1ccc2ccn(c(=O)c2c1)C 62a_100010371002_100000210202 [0,2,0,0,0,0|1,1,0]=4 7947 B16R2.28261 Cc1c(ccc2c1nc(cc2)OCF)Cl 34a_100000697521_100015361967 [0,2,0,0,0,0|2,0,0]=4 7948 B16R2.28261 FCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100015361967 [0,2,0,0,0,0|1,0,0]=3 7949 B16R2.28261 FCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100015361967 [0,2,0,0,0,0|1,0,0]=3 7950 B16R2.50969 CCSc1ccc2cc(c(nc2c1)Cl)Br 62a_100000210202_100135414633 [0,2,0,0,0,0|1,1,0]=4 7951 B16R2.50969 CCSc1ccc2cc(c(nc2c1)Cl)Br 62a_100135414633_100000210202 [0,2,0,0,0,0|1,1,0]=4 7952 B16R2.50969 CCSc1ccc2nc(c(cc2c1)C)N 62a_100000210202_100011830096 [0,2,0,0,0,0|1,1,0]=4 7953 B16R2.50969 CCSc1ccc2nc(c(cc2c1)C)N 62a_100011830096_100000210202 [0,2,0,0,0,0|1,1,0]=4 7954 B16R2.150515 CCNc1ccc2c(cc(=O)oc2c1)C 7a_100000010859_100000210202 [0,2,0,0,0,0|2,0,0]=4 7955 B16R2.150515 CCNc1ccc2c(cc(nc2c1)Cl)C 34a_100000103534_100000210202 [0,2,0,0,0,0|2,0,0]=4 7956 B16R2.150515 CCOc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_100000210202 [0,2,0,0,0,0|1,0,0]=3 7957 B16R2.150515 CCOc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_100000210202 [0,2,0,0,0,0|1,0,0]=3 7958 B16R2.150515 CCSc1ccc2c(=O)[nH]c(cc2c1)C 62a_100000210202_100010883700 [0,2,0,0,0,0|1,1,0]=4 7959 B16R2.150515 CCSc1ccc2c(cc(=O)oc2c1)O 62a_100000210202_100010062223 [0,2,0,0,0,0|1,1,0]=4 7960 B16R2.150515 CCSc1cnc2c(cc(cc2c1)N)F 62a_100000210202_100010780968 [0,2,0,0,0,0|1,1,0]=4 7961 B16R2.150515 CCSc1cnc2c(cc(cc2c1)N)F 62a_100010780968_100000210202 [0,2,0,0,0,0|1,1,0]=4 7962 B16R2.150515 Cc1cc(=O)oc2c1ccc(c2)OCF 34a_100000181958_100015361967 [0,2,0,0,0,0|2,0,0]=4 7963 B16R2.150515 Cc1cc(=O)oc2c1ccc(c2)OCF 7a_100000181958_100015361967 [0,2,0,0,0,0|2,0,0]=4 7964 B16R2.1212 CCC(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_100000210202 [0,2,0,0,0,0|2,0,0]=4 7965 B16R2.1212 CCC(=O)c1ccc2cncc(c2c1)Br 1458a_100015832970_100000210202 [0,2,0,0,0,0|2,0,0]=4 7966 B16R2.1212 CCC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_100000210202 [0,2,0,0,0,0|2,0,0]=4 7967 B16R2.28301 C=Cc1ccnc2c1cc(cc2)OCC 271570a_100011290941_100012360437 [0,2,0,0,0,0|1,0,0]=3 7968 B16R2.28301 CCNc1ccc2cccc(c2n1)OC 27a_100015525214_200011787714 [0,2,0,0,0,0|2,0,0]=4 7969 B16R2.28301 CCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000210202 [0,2,0,0,0,0|0,0,0]=2 7970 B16R2.28301 CCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000210202 [0,2,0,0,0,0|0,0,0]=2 7971 B16R2.28301 CCOc1ccc2nccc(c2c1)NC 27a_100102657272_100012360437 [0,2,0,0,0,0|1,0,0]=3 7972 B16R2.28301 CCOc1ccc2nccc(c2c1)SC 62a_200000210301_100012360437 [0,2,0,0,0,0|1,0,0]=3 7973 B16R2.28301 CCOc1ccc2nccc(c2c1)S[13CH3] 62a_200025704644_100012360437 [0,2,0,0,0,0|1,0,0]=3 7974 B16R2.28301 CCSc1ccc2cccc(c2n1)OC 62a_100000210202_200011787714 [0,2,0,0,0,0|1,1,0]=4 7975 B16R2.28301 CCSc1ccc2ccnc(c2c1)OC 62a_100000210202_200011098638 [0,2,0,0,0,0|1,1,0]=4 7976 B16R2.28301 CCSc1ccc2nccc(c2c1)C=O 62a_100000210202_100010176920 [0,2,0,0,0,0|1,1,0]=4 7977 B16R2.28301 CCSc1ccc2nccc(c2c1)C=O 62a_100010176920_100000210202 [0,2,0,0,0,0|1,1,0]=4 7978 B16R2.28301 CCSc1ccc2nccc(c2c1)NC 62a_100000210202_200011620572 [0,2,0,0,0,0|1,1,0]=4 7979 B16R2.28301 CCSc1ccc2nccc(c2c1)OC 62a_100000210202_100009816692 [0,2,0,0,0,0|1,1,0]=4 7980 B16R2.28301 N#Cc1cccc2c1cc(cc2)OCF 34a_100009864607_100015361967 [0,2,0,0,0,0|1,0,0]=3 7981 B16R2.28301 N#Cc1cccc2c1cc(cc2)OCF 7a_100009864607_100015361967 [0,2,0,0,0,0|1,0,0]=3 7982 B16R2.107862 CCNc1ccc2cc(cc(c2n1)C)C 27a_100015525214_200012017542 [0,2,0,0,0,0|2,0,0]=4 7983 B16R2.107862 CCOc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_100000210202 [0,2,0,0,0,0|2,0,0]=4 7984 B16R2.107862 CCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000210202 [0,2,0,0,0,0|0,0,0]=2 7985 B16R2.107862 CCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000210202 [0,2,0,0,0,0|0,0,0]=2 7986 B16R2.107862 CCOc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100011333682 [0,2,0,0,0,0|1,0,0]=3 7987 B16R2.107862 CCOc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_100000210202 [0,2,0,0,0,0|1,0,0]=3 7988 B16R2.107862 CCOc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_100000210202 [0,2,0,0,0,0|1,0,0]=3 7989 B16R2.107862 CCSc1ccc2[nH]c(=O)cc(c2c1)C 62a_100000210202_100009820897 [0,2,0,0,0,0|1,1,0]=4 7990 B16R2.107862 CCSc1ccc2[nH]c(=O)cc(c2c1)O 62a_100000210202_100000695641 [0,2,0,0,0,0|1,1,0]=4 7991 B16R2.107862 CCSc1ccc2[nH]c(cc(=O)c2c1)C 62a_100000210202_100011333642 [0,2,0,0,0,0|1,1,0]=4 7992 B16R2.107862 CCSc1ccc2cc(cc(c2n1)C)C 62a_100000210202_200012017542 [0,2,0,0,0,0|1,1,0]=4 7993 B16R2.107862 CCSc1ccc2nc(cc(c2c1)N)C 62a_100000238323_100000210202 [0,2,0,0,0,0|1,1,0]=4 7994 B16R2.107862 CNCc1ccc2cc(cc(c2c1)F)Br 26a_100102657272_100010201084 [0,2,0,0,0,0|2,0,0]=4 7995 B16R2.107862 Cc1cc(=O)oc2c1cc(cc2)OCF 34a_100000034621_100015361967 [0,2,0,0,0,0|2,0,0]=4 7996 B16R2.107862 Cc1cc(=O)oc2c1cc(cc2)OCF 7a_100000034621_100015361967 [0,2,0,0,0,0|2,0,0]=4 7997 B16R2.107862 FCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100015361967 [0,2,0,0,0,0|1,0,0]=3 7998 B16R2.107862 FCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100015361967 [0,2,0,0,0,0|1,0,0]=3 7999 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)C)C 271570a_100102525489_100010089936 [0,2,0,0,0,0|1,0,1]=4 8000 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)N)C 271570a_100102525489_100010090012 [0,2,0,0,0,0|1,0,1]=4 8001 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)O)C 271570a_100102525489_100010089991 [0,2,0,0,0,0|1,0,1]=4 8002 B16R2.126902 CC(=O)Nc1ccc2cccc(c2c1)O 1626a_100132313934_100015343762 [0,2,0,0,0,0|1,0,1]=4 8003 B16R2.126902 CC(=O)Nc1ccc2cccc(c2c1)O 22a_100132313934_100000070787 [0,2,0,0,0,0|1,0,1]=4 8004 B16R2.126902 CC(=O)Nc1ccc2cccc(c2c1)O 527a_100132313934_100103153847 [0,2,0,0,0,0|1,0,1]=4 8005 B16R2.126902 CC(C)Nc1ccc2cccc(c2c1)O 34a_100132313934_100000210206 [0,2,0,0,0,0|1,0,0]=3 8006 B16R2.126902 CC(C)Nc1ccc2cccc(c2n1)O 27a_100138425928_100010153751 [0,2,0,0,0,0|2,0,0]=4 8007 B16R2.126902 CC(C)Nc1ccc2nccc(c2c1)Br 34a_100010074812_100000210206 [0,2,0,0,0,0|2,0,0]=4 8008 B16R2.126902 CC(C)Nc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210206 [0,2,0,0,0,0|2,0,0]=4 8009 B16R2.126902 CC(C)Nc1ccc2occc(=O)c2c1 34a_100000088200_100000210206 [0,2,0,0,0,0|2,0,0]=4 8010 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)Br 34a_100010169565_100000210206 [0,2,0,0,0,0|0,0,0]=2 8011 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100000210206 [0,2,0,0,0,0|0,0,0]=2 8012 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)F 34a_100000091619_100000210206 [0,2,0,0,0,0|0,0,0]=2 8013 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)F 7a_100000091619_100000210206 [0,2,0,0,0,0|0,0,0]=2 8014 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)N 34a_100000034012_100000210206 [0,2,0,0,0,0|0,0,0]=2 8015 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)N 7a_100000034012_100000210206 [0,2,0,0,0,0|0,0,0]=2 8016 B16R2.126902 CC(C)Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210206 [0,2,0,0,0,0|1,0,0]=3 8017 B16R2.126902 CC(C)Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210206 [0,2,0,0,0,0|1,0,0]=3 8018 B16R2.126902 CC(C)Oc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210206 [0,2,0,0,0,0|2,0,0]=4 8019 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Br 34a_100010204251_100000210206 [0,2,0,0,0,0|1,0,0]=3 8020 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Br 7a_100010204251_100000210206 [0,2,0,0,0,0|1,0,0]=3 8021 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210206 [0,2,0,0,0,0|1,0,0]=3 8022 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210206 [0,2,0,0,0,0|1,0,0]=3 8023 B16R2.126902 CC(C)Sc1ccc2[nH]ccc(=O)c2c1 62a_100000210206_100000746092 [0,2,0,0,0,0|1,1,0]=4 8024 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)N 62a_100000210206_100010090012 [0,2,0,0,0,0|0,1,0]=3 8025 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)N 62a_100010090012_100000210206 [0,2,0,0,0,0|0,1,0]=3 8026 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)O 62a_100000210206_100010089991 [0,2,0,0,0,0|0,1,0]=3 8027 B16R2.126902 CC(C)Sc1ccc2cccc(c2n1)F 62a_100000210206_100012017632 [0,2,0,0,0,0|1,1,0]=4 8028 B16R2.126902 CC(C)Sc1ccc2cccc(c2n1)O 62a_100000210206_100000013812 [0,2,0,0,0,0|1,1,0]=4 8029 B16R2.126902 CC(C)Sc1ccc2ccnc(c2c1)N 62a_100000210206_100012352255 [0,2,0,0,0,0|1,1,0]=4 8030 B16R2.126902 CC(C)Sc1ccc2ccnc(c2c1)N 62a_100012352255_100000210206 [0,2,0,0,0,0|1,1,0]=4 8031 B16R2.126902 CC(C)Sc1ccc2ccnc(c2c1)O 62a_100000210206_100000010956 [0,2,0,0,0,0|1,1,0]=4 8032 B16R2.126902 CC(C)Sc1ccc2cncc(c2c1)O 62a_100000210206_100010136424 [0,2,0,0,0,0|1,1,0]=4 8033 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)Cl 62a_100000210206_100011310491 [0,2,0,0,0,0|1,1,0]=4 8034 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210206 [0,2,0,0,0,0|1,1,0]=4 8035 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)N 62a_100000210206_100011620571 [0,2,0,0,0,0|1,1,0]=4 8036 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)N 62a_100011620571_100000210206 [0,2,0,0,0,0|1,1,0]=4 8037 B16R2.126902 CC(C)Sc1ccc2occc(=O)c2c1 62a_100000210206_100009813387 [0,2,0,0,0,0|1,1,0]=4 8038 B16R2.126902 CC(C)Sc1cnc2cccc(c2c1)N 62a_100000210206_100010264086 [0,2,0,0,0,0|1,1,0]=4 8039 B16R2.126902 CC(C)Sc1cnc2cccc(c2c1)N 62a_100010264086_100000210206 [0,2,0,0,0,0|1,1,0]=4 8040 B16R2.126902 CC(C)Sc1cnc2cccc(c2c1)O 62a_100000210206_200010153752 [0,2,0,0,0,0|1,1,0]=4 8041 B16R2.126902 Cc1cccc2c1cc(cc2)OC(C)C 34a_200000091600_100000210206 [0,2,0,0,0,0|0,0,0]=2 8042 B16R2.126902 Cc1cccc2c1cc(cc2)OC(C)C 7a_200000091600_100000210206 [0,2,0,0,0,0|0,0,0]=2 8043 B16R2.126902 Cc1cccc2c1cc(cc2)SC(C)C 62a_100000210206_100010089936 [0,2,0,0,0,0|0,1,0]=3 8044 B16R2.126902 Cc1cccc2c1nc(cc2)NC(C)C 27a_100138425928_100012002297 [0,2,0,0,0,0|2,0,0]=4 8045 B16R2.126902 Cc1cccc2c1nc(cc2)SC(C)C 62a_100000210206_100012002297 [0,2,0,0,0,0|1,1,0]=4 8046 B16R2.126902 Cc1ccnc2c1cc(cc2)SC(C)C 62a_100000210206_100009817033 [0,2,0,0,0,0|1,1,0]=4 8047 B16R2.126902 Cc1ccnc2c1cc(cc2)SC(C)C 62a_100009817033_100000210206 [0,2,0,0,0,0|1,1,0]=4 8048 B16R2.126902 Cc1nccc2c1cc(cc2)SC(C)C 62a_100000210206_200010739692 [0,2,0,0,0,0|1,1,0]=4 8049 B16R2.126902 Cc1nccc2c1cc(cc2)SC(C)C 62a_200010739692_100000210206 [0,2,0,0,0,0|1,1,0]=4 8050 B16R2.442 CCC(NC)c1ccc2ccccc2c1 269862a_106832991636_200011220454 [0,2,0,0,0,0|1,0,0]=3 8051 B16R2.442 CCN(CC)c1ccc2ccccc2c1 2230a_100000220149_100000210202 [0,2,0,0,0,0|1,0,0]=3 8052 B16R2.442 CCN(CC)c1ccc2ccccc2c1 269982a_100000220149_100000204670 [0,2,0,0,0,0|1,0,0]=3 8053 B16R2.442 CCN(CC)c1ccc2ccccc2c1 34a_100000220149_100000210202 [0,2,0,0,0,0|1,0,0]=3 8054 B16R2.442 CCN(CC)c1ccc2ccccc2c1 7a_100000220149_100000210202 [0,2,0,0,0,0|1,0,0]=3 8055 B16R2.442 CCN(CC)c1ccc2ccccc2n1 27a_100000724800_100011291633 [0,2,0,0,0,0|2,0,0]=4 8056 B16R2.442 CCN(CF)c1ccc2ccccc2c1 269982a_100000220149_100015361967 [0,2,0,0,0,0|1,0,0]=3 8057 B16R2.442 CCN(CF)c1ccc2ccccc2c1 34a_100000220149_100015361967 [0,2,0,0,0,0|1,0,0]=3 8058 B16R2.442 CCN(CF)c1ccc2ccccc2c1 7a_100000220149_100015361967 [0,2,0,0,0,0|1,0,0]=3 8059 B16R2.442 CC[C@H](NC)c1ccc2ccccc2c1 2230a_100020639264_200000210301 [0,2,0,0,0,0|1,0,0]=3 8060 B16R2.442 CC[C@H](N[13CH3])c1ccc2ccccc2c1 2230a_100020639264_200025704644 [0,2,0,0,0,0|1,0,0]=3 8061 B16R2.442 COC(CN)c1ccc2ccccc2c1 34a_100000754022_200000210301 [0,2,0,0,0,0|2,0,0]=4 8062 B16R2.442 [13CH3]OC(CN)c1ccc2ccccc2c1 34a_100000754022_200025704644 [0,2,0,0,0,0|2,0,0]=4 8063 B16R2.1229 CCC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100000210202 [0,2,0,0,0,0|1,0,0]=3 8064 B16R2.1229 CCC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100000210202 [0,2,0,0,0,0|1,0,0]=3 8065 B16R2.1229 CCC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100000210202 [0,2,0,0,0,0|2,0,0]=4 8066 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 11a_106832991635_100000239384 [0,2,0,0,0,0|2,0,0]=4 8067 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 1626a_100102657272_100000239384 [0,2,0,0,0,0|2,0,0]=4 8068 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 240690a_100102657272_100000239384 [0,2,0,0,0,0|2,0,0]=4 8069 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 527a_100102657272_100000239384 [0,2,0,0,0,0|2,0,0]=4 8070 B16R2.1229 CNC(=O)c1ccc2ccccc2c1O 240690a_100102657272_100000181341 [0,2,0,0,0,0|2,0,0]=4 8071 B16R2.1229 CNC(=O)c1ccc2ccccc2c1O 527a_100102657272_100000181341 [0,2,0,0,0,0|2,0,0]=4 8072 B16R2.1229 CNC(C)c1ccc2ccccc2c1O 269862a_106832991636_100000212095 [0,2,0,0,0,0|2,0,0]=4 8073 B16R2.1229 COC(=O)c1ccc2ccccc2c1O 271570a_203496583355_100102564387 [0,2,0,0,0,0|2,0,0]=4 8074 B16R2.1229 O=C(CF)c1ccc2ccccc2c1Br 1458a_100000239384_100015361967 [0,2,0,0,0,0|2,0,0]=4 8075 B16R2.1229 O=C(CF)c1ccc2ccccc2c1O 1458a_100000181341_100015361967 [0,2,0,0,0,0|2,0,0]=4 8076 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 270084a_100102657272_100000210365 [0,2,0,0,0,0|1,1,0]=4 8077 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 274078a_100102657272_100000210365 [0,2,0,0,0,0|1,1,0]=4 8078 B16R2.6284 CC(=C(C)c1ccc2ccccc2c1)C 271570a_200000049429_100000233703 [0,2,0,0,0,0|1,0,1]=4 8079 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 11a_100000181211_100015343762 [0,2,0,0,0,0|1,0,1]=4 8080 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 1626a_100000181211_100015343762 [0,2,0,0,0,0|1,0,1]=4 8081 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 22a_100000181211_100000070787 [0,2,0,0,0,0|1,0,1]=4 8082 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 527a_100000181211_100103153847 [0,2,0,0,0,0|1,0,1]=4 8083 B16R2.6284 CC(C)C(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210206 [0,2,0,0,0,0|1,0,0]=3 8084 B16R2.6284 CC(C)C(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210206 [0,2,0,0,0,0|2,0,0]=4 8085 B16R2.6284 CC(C)C(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210206 [0,2,0,0,0,0|2,0,0]=4 8086 B16R2.6284 CC(C)C(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210206 [0,2,0,0,0,0|2,0,0]=4 8087 B16R2.6284 CC(C)C(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210206 [0,2,0,0,0,0|2,0,0]=4 8088 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 2230a_100000181211_100000210206 [0,2,0,0,0,0|1,0,0]=3 8089 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 269982a_100000181211_100000210206 [0,2,0,0,0,0|1,0,0]=3 8090 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 34a_100000181211_100000210206 [0,2,0,0,0,0|1,0,0]=3 8091 B16R2.6284 CC(C)N(C)c1ccc2ccccc2n1 27a_200000211004_100011291633 [0,2,0,0,0,0|2,0,0]=4 8092 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)C 2230a_100000744356_200000210301 [0,2,0,0,0,0|2,0,0]=4 8093 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)C 269982a_100000744356_200000210301 [0,2,0,0,0,0|2,0,0]=4 8094 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)[13CH3] 2230a_100000744356_200025704644 [0,2,0,0,0,0|2,0,0]=4 8095 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)[13CH3] 269982a_100000744356_200025704644 [0,2,0,0,0,0|2,0,0]=4 8096 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 11a_100102631434_100000210637 [0,2,0,0,0,0|2,0,0]=4 8097 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 1626a_100102631434_100000210637 [0,2,0,0,0,0|2,0,0]=4 8098 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 240690a_100102631434_100000210637 [0,2,0,0,0,0|2,0,0]=4 8099 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 527a_100102631434_100000210637 [0,2,0,0,0,0|2,0,0]=4 8100 B16R2.33799 CCC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100000210202 [0,2,0,0,0,0|1,0,0]=3 8101 B16R2.33799 CCC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100000210202 [0,2,0,0,0,0|1,0,0]=3 8102 B16R2.33799 CCC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100000210202 [0,2,0,0,0,0|1,0,0]=3 8103 B16R2.33799 CCC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_100000210202 [0,2,0,0,0,0|2,0,0]=4 8104 B16R2.33799 CCC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100000210202 [0,2,0,0,0,0|2,0,0]=4 8105 B16R2.33799 CCC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100000210202 [0,2,0,0,0,0|2,0,0]=4 8106 B16R2.33799 CCC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_100000210202 [0,2,0,0,0,0|2,0,0]=4 8107 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 11a_106832991635_100000759775 [0,2,0,0,0,0|2,0,0]=4 8108 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 1626a_100102657272_100000759775 [0,2,0,0,0,0|2,0,0]=4 8109 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 240690a_100102657272_100000759775 [0,2,0,0,0,0|2,0,0]=4 8110 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 527a_100102657272_100000759775 [0,2,0,0,0,0|2,0,0]=4 8111 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 11a_106832991635_200010245464 [0,2,0,0,0,0|2,0,0]=4 8112 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 1626a_100102657272_200010245464 [0,2,0,0,0,0|2,0,0]=4 8113 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 240690a_100102657272_200010245464 [0,2,0,0,0,0|2,0,0]=4 8114 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 527a_100102657272_200010245464 [0,2,0,0,0,0|2,0,0]=4 8115 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 11a_106832991635_200000042716 [0,2,0,0,0,0|2,0,0]=4 8116 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 1626a_100102657272_200000042716 [0,2,0,0,0,0|2,0,0]=4 8117 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 240690a_100102657272_200000042716 [0,2,0,0,0,0|2,0,0]=4 8118 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 527a_100102657272_200000042716 [0,2,0,0,0,0|2,0,0]=4 8119 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)O 240690a_100102657272_100000234869 [0,2,0,0,0,0|2,0,0]=4 8120 B16R2.33799 CNC(C)c1ccc2cc(ccc2c1)Br 269862a_106832991636_100012339427 [0,2,0,0,0,0|2,0,0]=4 8121 B16R2.33799 CNC(C)c1ccc2cc(ccc2c1)O 269862a_106832991636_100000074906 [0,2,0,0,0,0|2,0,0]=4 8122 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100011218122 [0,2,0,0,0,0|2,0,0]=4 8123 B16R2.33799 O=C(CF)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100015361967 [0,2,0,0,0,0|2,0,0]=4 8124 B16R2.33799 O=C(CF)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100015361967 [0,2,0,0,0,0|2,0,0]=4 8125 B16R2.33799 O=C(CF)c1ccc2cc(ccc2c1)F 1458a_200000042716_100015361967 [0,2,0,0,0,0|2,0,0]=4 8126 B16R2.173132 CCC(=O)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_100000210202 [0,2,0,0,0,0|2,0,0]=4 8127 B16R2.173132 CCC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100000210202 [0,2,0,0,0,0|1,0,0]=3 8128 B16R2.173132 CCC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100000210202 [0,2,0,0,0,0|1,0,0]=3 8129 B16R2.173132 CCC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100000210202 [0,2,0,0,0,0|2,0,0]=4 8130 B16R2.173132 CCC(=O)c1ccc2c(nccc2c1)Cl 1458a_100010201666_100000210202 [0,2,0,0,0,0|2,0,0]=4 8131 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 11a_106832991635_100000691321 [0,2,0,0,0,0|2,0,0]=4 8132 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 1626a_100102657272_100000691321 [0,2,0,0,0,0|2,0,0]=4 8133 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 240690a_100102657272_100000691321 [0,2,0,0,0,0|2,0,0]=4 8134 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 527a_100102657272_100000691321 [0,2,0,0,0,0|2,0,0]=4 8135 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 11a_106832991635_100010089951 [0,2,0,0,0,0|2,0,0]=4 8136 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 1626a_100102657272_100010089951 [0,2,0,0,0,0|2,0,0]=4 8137 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 240690a_100102657272_100010089951 [0,2,0,0,0,0|2,0,0]=4 8138 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 527a_100102657272_100010089951 [0,2,0,0,0,0|2,0,0]=4 8139 B16R2.173132 COC(=O)c1ccc2c(cccc2c1)O 271570a_203496583355_100010188500 [0,2,0,0,0,0|2,0,0]=4 8140 B16R2.173132 O=C(CF)c1ccc2c(cccc2c1)Br 1458a_100000691321_100015361967 [0,2,0,0,0,0|2,0,0]=4 8141 B16R2.173132 O=C(CF)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100015361967 [0,2,0,0,0,0|2,0,0]=4 8142 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)Br)C 271570a_100102525489_100012344972 [0,2,0,0,0,0|1,0,1]=4 8143 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)F)C 271570a_100102525489_100009817052 [0,2,0,0,0,0|1,0,1]=4 8144 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)N)C 271570a_100102525489_100000185457 [0,2,0,0,0,0|1,0,1]=4 8145 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)O)C 271570a_100102525489_100000185455 [0,2,0,0,0,0|1,0,1]=4 8146 B16R2.11988 CC(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000070787_100012356510 [0,2,0,0,0,0|1,0,1]=4 8147 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 11a_100000185457_100015343762 [0,2,0,0,0,0|1,0,1]=4 8148 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 1626a_100000185457_100015343762 [0,2,0,0,0,0|1,0,1]=4 8149 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 22a_100000185457_100000070787 [0,2,0,0,0,0|1,0,1]=4 8150 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 527a_100000185457_100103153847 [0,2,0,0,0,0|1,0,1]=4 8151 B16R2.11988 CC(C)Nc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210206 [0,2,0,0,0,0|1,0,0]=3 8152 B16R2.11988 CC(C)Nc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210206 [0,2,0,0,0,0|1,0,0]=3 8153 B16R2.11988 CC(C)Nc1ccc2cc(ccc2n1)F 27a_100138425928_100011998705 [0,2,0,0,0,0|2,0,0]=4 8154 B16R2.11988 CC(C)Nc1ccc2cc(cnc2c1)Br 27a_100138425928_200015509644 [0,2,0,0,0,0|2,0,0]=4 8155 B16R2.11988 CC(C)Nc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210206 [0,2,0,0,0,0|2,0,0]=4 8156 B16R2.11988 CC(C)Nc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210206 [0,2,0,0,0,0|2,0,0]=4 8157 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210206 [0,2,0,0,0,0|0,0,0]=2 8158 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210206 [0,2,0,0,0,0|0,0,0]=2 8159 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210206 [0,2,0,0,0,0|0,0,0]=2 8160 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210206 [0,2,0,0,0,0|0,0,0]=2 8161 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)F 34a_100009847029_100000210206 [0,2,0,0,0,0|0,0,0]=2 8162 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100000210206 [0,2,0,0,0,0|0,0,0]=2 8163 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170441 [0,2,0,0,0,0|0,0,0]=2 8164 B16R2.11988 CC(C)Oc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210206 [0,2,0,0,0,0|1,0,0]=3 8165 B16R2.11988 CC(C)Oc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210206 [0,2,0,0,0,0|1,0,0]=3 8166 B16R2.11988 CC(C)Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210206 [0,2,0,0,0,0|1,0,0]=3 8167 B16R2.11988 CC(C)Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210206 [0,2,0,0,0,0|1,0,0]=3 8168 B16R2.11988 CC(C)Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210206 [0,2,0,0,0,0|2,0,0]=4 8169 B16R2.11988 CC(C)Oc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210206 [0,2,0,0,0,0|1,0,0]=3 8170 B16R2.11988 CC(C)Oc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210206 [0,2,0,0,0,0|1,0,0]=3 8171 B16R2.11988 CC(C)Oc1cnc2cc(ccc2c1)F 34a_100012184162_100000210206 [0,2,0,0,0,0|1,0,0]=3 8172 B16R2.11988 CC(C)Oc1cnc2cc(ccc2c1)F 7a_100012184162_100000210206 [0,2,0,0,0,0|1,0,0]=3 8173 B16R2.11988 CC(C)Sc1ccc2[nH]c(=O)ccc2c1 62a_100000210206_100011934725 [0,2,0,0,0,0|1,1,0]=4 8174 B16R2.11988 CC(C)Sc1ccc2c[n+](ccc2c1)C 62a_100000210206_100015191232 [0,2,0,0,0,0|1,1,0]=4 8175 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)Br 62a_100000210206_100012344972 [0,2,0,0,0,0|0,1,0]=3 8176 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210206 [0,2,0,0,0,0|0,1,0]=3 8177 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)F 62a_100000210206_100009817052 [0,2,0,0,0,0|0,1,0]=3 8178 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)F 62a_100009817052_100000210206 [0,2,0,0,0,0|0,1,0]=3 8179 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)N 62a_100000185457_100000210206 [0,2,0,0,0,0|0,1,0]=3 8180 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)N 62a_100000210206_100000185457 [0,2,0,0,0,0|0,1,0]=3 8181 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)O 62a_100000210206_100000185455 [0,2,0,0,0,0|0,1,0]=3 8182 B16R2.11988 CC(C)Sc1ccc2cc(ccc2n1)F 62a_100000210206_100011998705 [0,2,0,0,0,0|1,1,0]=4 8183 B16R2.11988 CC(C)Sc1ccc2cc(ccc2n1)F 62a_200012355665_100000210206 [0,2,0,0,0,0|1,1,0]=4 8184 B16R2.11988 CC(C)Sc1ccc2cc(ccc2n1)O 62a_100000210206_100009849208 [0,2,0,0,0,0|1,1,0]=4 8185 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)Br 62a_100000210206_200015509644 [0,2,0,0,0,0|1,1,0]=4 8186 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210206 [0,2,0,0,0,0|1,1,0]=4 8187 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)F 62a_100000210206_100010751466 [0,2,0,0,0,0|1,1,0]=4 8188 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)F 62a_100010751466_100000210206 [0,2,0,0,0,0|1,1,0]=4 8189 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)N 62a_100000210206_100010142226 [0,2,0,0,0,0|1,1,0]=4 8190 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)N 62a_100010142226_100000210206 [0,2,0,0,0,0|1,1,0]=4 8191 B16R2.11988 CC(C)Sc1ccc2cc(ncc2c1)N 62a_100000210206_100010232990 [0,2,0,0,0,0|1,1,0]=4 8192 B16R2.11988 CC(C)Sc1ccc2cc(ncc2c1)N 62a_100010232990_100000210206 [0,2,0,0,0,0|1,1,0]=4 8193 B16R2.11988 CC(C)Sc1ccc2nc(ccc2c1)Cl 62a_100000210206_200012034268 [0,2,0,0,0,0|1,1,0]=4 8194 B16R2.11988 CC(C)Sc1ccc2nc(ccc2c1)N 62a_100011934619_100000210206 [0,2,0,0,0,0|1,1,0]=4 8195 B16R2.11988 CC(C)Sc1ccc2oc(=O)ccc2c1 62a_100000210206_100009999946 [0,2,0,0,0,0|1,1,0]=4 8196 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)Cl 62a_100000210206_100015716233 [0,2,0,0,0,0|1,1,0]=4 8197 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210206 [0,2,0,0,0,0|1,1,0]=4 8198 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)N 62a_100000210206_200010264087 [0,2,0,0,0,0|1,1,0]=4 8199 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)N 62a_200010264087_100000210206 [0,2,0,0,0,0|1,1,0]=4 8200 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)O 62a_100000210206_200010153753 [0,2,0,0,0,0|1,1,0]=4 8201 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 2230a_100102631434_100012356510 [0,2,0,0,0,0|2,0,0]=4 8202 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 269982a_100102631434_100012356510 [0,2,0,0,0,0|2,0,0]=4 8203 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 270004a_100102631434_100012356508 [0,2,0,0,0,0|2,0,0]=4 8204 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)O 270004a_100102631434_100000067190 [0,2,0,0,0,0|2,0,0]=4 8205 B16R2.11988 Cc1ccc2cc(ccc2c1)OC(C)C 34a_100000074090_100000210206 [0,2,0,0,0,0|0,0,0]=2 8206 B16R2.11988 Cc1ccc2cc(ccc2c1)OC(C)C 7a_100000074090_100000210206 [0,2,0,0,0,0|0,0,0]=2 8207 B16R2.11988 Cc1ccc2cc(ccc2n1)NC(C)C 34a_100011216442_100000210206 [0,2,0,0,0,0|2,0,0]=4 8208 B16R2.11988 Cc1ccc2cc(ccc2n1)OC(C)C 34a_100000037634_100000210206 [0,2,0,0,0,0|1,0,0]=3 8209 B16R2.11988 Cc1ccc2cc(ccc2n1)OC(C)C 7a_100000037634_100000210206 [0,2,0,0,0,0|1,0,0]=3 8210 B16R2.11988 Cc1ccc2cc(ccc2n1)SC(C)C 62a_100000210206_100000686635 [0,2,0,0,0,0|1,1,0]=4 8211 B16R2.11988 Cc1ccc2cc(ccc2n1)SC(C)C 62a_100000686635_100000210206 [0,2,0,0,0,0|1,1,0]=4 8212 B16R2.11988 Cc1ccc2nc(ccc2c1)NC(C)C 27a_100138425928_100011865911 [0,2,0,0,0,0|2,0,0]=4 8213 B16R2.11988 Cc1ccc2nc(ccc2c1)SC(C)C 62a_100000210206_100011865911 [0,2,0,0,0,0|1,1,0]=4 8214 B16R2.11988 Cc1ccc2nc(ccc2c1)SC(C)C 62a_200000181977_100000210206 [0,2,0,0,0,0|1,1,0]=4 8215 B16R2.11988 Cc1cnc2cc(ccc2c1)SC(C)C 62a_100000210206_100010751441 [0,2,0,0,0,0|1,1,0]=4 8216 B16R2.22859 CC(=Cc1ccc2c(cccc2c1)N)C 271570a_100102525489_100010090037 [0,2,0,0,0,0|1,0,1]=4 8217 B16R2.22859 CC(=Cc1ccc2c(cccc2c1)O)C 271570a_100102525489_100010202202 [0,2,0,0,0,0|1,0,1]=4 8218 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 1626a_100000035793_100015343762 [0,2,0,0,0,0|1,0,1]=4 8219 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 22a_100000035793_100000070787 [0,2,0,0,0,0|1,0,1]=4 8220 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 527a_100000035793_100103153847 [0,2,0,0,0,0|1,0,1]=4 8221 B16R2.22859 CC(C)Nc1ccc2c(cccc2c1)O 34a_100000035793_100000210206 [0,2,0,0,0,0|1,0,0]=3 8222 B16R2.22859 CC(C)Nc1ccc2c(cccc2c1)O 7a_100000035793_100000210206 [0,2,0,0,0,0|1,0,0]=3 8223 B16R2.22859 CC(C)Nc1ccc2c(ccnc2c1)Cl 27a_100138425928_100009996786 [0,2,0,0,0,0|2,0,0]=4 8224 B16R2.22859 CC(C)Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210206 [0,2,0,0,0,0|1,0,0]=3 8225 B16R2.22859 CC(C)Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210206 [0,2,0,0,0,0|1,0,0]=3 8226 B16R2.22859 CC(C)Oc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210206 [0,2,0,0,0,0|1,0,0]=3 8227 B16R2.22859 CC(C)Oc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210206 [0,2,0,0,0,0|1,0,0]=3 8228 B16R2.22859 CC(C)Oc1ccc2c(cccc2c1)N 34a_100000034668_100000210206 [0,2,0,0,0,0|0,0,0]=2 8229 B16R2.22859 CC(C)Oc1ccc2c(cccc2c1)N 7a_100000034668_100000210206 [0,2,0,0,0,0|0,0,0]=2 8230 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210206 [0,2,0,0,0,0|1,0,0]=3 8231 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210206 [0,2,0,0,0,0|1,0,0]=3 8232 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210206 [0,2,0,0,0,0|1,0,0]=3 8233 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210206 [0,2,0,0,0,0|1,0,0]=3 8234 B16R2.22859 CC(C)Oc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210206 [0,2,0,0,0,0|1,0,0]=3 8235 B16R2.22859 CC(C)Oc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210206 [0,2,0,0,0,0|1,0,0]=3 8236 B16R2.22859 CC(C)Oc1cnc2c(cccc2c1)F 34a_100012184956_100000210206 [0,2,0,0,0,0|1,0,0]=3 8237 B16R2.22859 CC(C)Oc1cnc2c(cccc2c1)F 7a_100012184956_100000210206 [0,2,0,0,0,0|1,0,0]=3 8238 B16R2.22859 CC(C)Sc1ccc2c(=O)ccoc2c1 62a_100000210206_100010062221 [0,2,0,0,0,0|1,1,0]=4 8239 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)N 62a_100000210206_100010090037 [0,2,0,0,0,0|0,1,0]=3 8240 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)N 62a_100010090037_100000210206 [0,2,0,0,0,0|0,1,0]=3 8241 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)O 62a_100000210206_100010202202 [0,2,0,0,0,0|0,1,0]=3 8242 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)Cl 62a_100000210206_100009996786 [0,2,0,0,0,0|1,1,0]=4 8243 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210206 [0,2,0,0,0,0|1,1,0]=4 8244 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)N 62a_200009816820_100000210206 [0,2,0,0,0,0|1,1,0]=4 8245 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)O 62a_100000210206_100000756855 [0,2,0,0,0,0|1,1,0]=4 8246 B16R2.22859 CC(C)Sc1ccc2c(nccc2c1)N 62a_100000210206_100000732483 [0,2,0,0,0,0|1,1,0]=4 8247 B16R2.22859 CC(C)Sc1ccc2c(nccc2c1)N 62a_100000732483_100000210206 [0,2,0,0,0,0|1,1,0]=4 8248 B16R2.22859 CC(C)Sc1ccc2c(nccc2c1)O 62a_100000210206_100000760485 [0,2,0,0,0,0|1,1,0]=4 8249 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)Br 62a_100000210206_100010204298 [0,2,0,0,0,0|1,1,0]=4 8250 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)Br 62a_100010204298_100000210206 [0,2,0,0,0,0|1,1,0]=4 8251 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)Cl 62a_100000210206_100000759377 [0,2,0,0,0,0|1,1,0]=4 8252 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)F 62a_100000049890_100000210206 [0,2,0,0,0,0|1,1,0]=4 8253 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)F 62a_100000210206_100000049890 [0,2,0,0,0,0|1,1,0]=4 8254 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)N 62a_100000210206_100000702407 [0,2,0,0,0,0|1,1,0]=4 8255 B16R2.22859 Cc1cccc2c1ncc(c2)SC(C)C 62a_100000210206_100009829671 [0,2,0,0,0,0|1,1,0]=4 8256 B16R2.22859 Cc1ccnc2c1ccc(c2)OC(C)C 34a_200009854145_100000210206 [0,2,0,0,0,0|1,0,0]=3 8257 B16R2.22859 Cc1ccnc2c1ccc(c2)OC(C)C 7a_200009854145_100000210206 [0,2,0,0,0,0|1,0,0]=3 8258 B16R2.22859 Cc1ccnc2c1ccc(c2)SC(C)C 62a_100000210206_100010132309 [0,2,0,0,0,0|1,1,0]=4 8259 B16R2.22859 Cc1ccnc2c1ccc(c2)SC(C)C 62a_100010132309_100000210206 [0,2,0,0,0,0|1,1,0]=4 8260 B16R2.82802 CC(C)(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210625 [0,2,0,0,0,0|1,0,0]=3 8261 B16R2.82802 CC(C)(C)Nc1ccc2cccnc2c1 34a_100102887122_100000210625 [0,2,0,0,0,0|2,0,0]=4 8262 B16R2.82802 CC(C)(C)Nc1ccc2cnccc2c1 34a_100000039641_100000210625 [0,2,0,0,0,0|2,0,0]=4 8263 B16R2.82802 CC(C)(C)Nc1ccc2ncccc2c1 34a_100011198106_100000210625 [0,2,0,0,0,0|2,0,0]=4 8264 B16R2.82802 CC(C)(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210625 [0,2,0,0,0,0|0,0,0]=2 8265 B16R2.82802 CC(C)(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210625 [0,2,0,0,0,0|1,0,0]=3 8266 B16R2.82802 CC(C)(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210625 [0,2,0,0,0,0|1,0,0]=3 8267 B16R2.82802 CC(C)(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210625 [0,2,0,0,0,0|1,0,0]=3 8268 B16R2.82802 CC(C)(C)Oc1ccc2nccnc2c1 34a_100000694412_100000210625 [0,2,0,0,0,0|2,0,0]=4 8269 B16R2.82802 CC(C)(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210625 [0,2,0,0,0,0|1,0,0]=3 8270 B16R2.82802 CC(C)(C)Sc1cc2ccccc2cn1 62a_100000211941_100000047361 [0,2,0,0,0,0|1,1,0]=4 8271 B16R2.82802 CC(C)(C)Sc1cc2ccccc2cn1 62a_100009816522_100000211941 [0,2,0,0,0,0|1,1,0]=4 8272 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2c1 62a_100000211941_100000233703 [0,2,0,0,0,0|0,1,0]=3 8273 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2n1 62a_100000211941_100011291633 [0,2,0,0,0,0|1,1,0]=4 8274 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2n1 62a_100011291633_100000211941 [0,2,0,0,0,0|1,1,0]=4 8275 B16R2.82802 CC(C)(C)Sc1ccc2cccnc2c1 62a_100000211941_100009816655 [0,2,0,0,0,0|1,1,0]=4 8276 B16R2.82802 CC(C)(C)Sc1ccc2ccncc2c1 62a_100000211941_100000686496 [0,2,0,0,0,0|1,1,0]=4 8277 B16R2.82802 CC(C)(C)Sc1ccc2ccncc2c1 62a_100000686496_100000211941 [0,2,0,0,0,0|1,1,0]=4 8278 B16R2.82802 CC(C)(C)Sc1ccc2cnccc2c1 62a_100000211941_100009816743 [0,2,0,0,0,0|1,1,0]=4 8279 B16R2.82802 CC(C)(C)Sc1ccc2cnccc2c1 62a_100009816743_100000211941 [0,2,0,0,0,0|1,1,0]=4 8280 B16R2.82802 CC(C)(C)Sc1ccc2ncccc2c1 62a_100000211941_100011215947 [0,2,0,0,0,0|1,1,0]=4 8281 B16R2.82802 CC(C)(C)Sc1ccc2ncccc2c1 62a_100011215947_100000211941 [0,2,0,0,0,0|1,1,0]=4 8282 B16R2.82802 CC(C)(C)Sc1cnc2ccccc2c1 62a_100000211941_100000737414 [0,2,0,0,0,0|1,1,0]=4 8283 B16R2.82802 CS(=O)(=O)Nc1ccc2ccccc2c1 40a_100000211940_100000738038 [0,2,0,0,0,0|2,0,0]=4 8284 B16R2.82802 FC(F)(F)Nc1ccc2ccccc2c1 34a_100000211940_200103152311 [0,2,0,0,0,0|2,0,0]=4 8285 B16R2.82802 FC(F)(F)Nc1ccc2ccccc2c1 7a_100000211940_200000243211 [0,2,0,0,0,0|2,0,0]=4 8286 B16R2.82802 FC(F)(F)Oc1ccc2ccccc2c1 34a_100000185828_200103152311 [0,2,0,0,0,0|1,0,0]=3 8287 B16R2.82802 FC(F)(F)Oc1ccc2ccccc2c1 7a_100000185828_200000243211 [0,2,0,0,0,0|1,0,0]=3 8288 B16R2.82802 FC(F)(F)Oc1ccc2cccnc2c1 34a_100011216045_200103152311 [0,2,0,0,0,0|2,0,0]=4 8289 B16R2.82802 FC(F)(F)Oc1ccc2ccncc2c1 7a_100000752006_200000243211 [0,2,0,0,0,0|2,0,0]=4 8290 B16R2.82802 FC(F)(F)Oc1ccc2cnccc2c1 34a_100000046372_200103152311 [0,2,0,0,0,0|2,0,0]=4 8291 B16R2.82802 FC(F)(F)Oc1ccc2cnccc2c1 7a_100000046372_200000243211 [0,2,0,0,0,0|2,0,0]=4 8292 B16R2.82802 FC(F)(F)Oc1ccc2ncccc2c1 34a_100011215586_200103152311 [0,2,0,0,0,0|2,0,0]=4 8293 B16R2.82802 FC(F)(F)Oc1ccc2ncccc2c1 7a_100011215586_200000243211 [0,2,0,0,0,0|2,0,0]=4 8294 B16R2.82802 FC(F)(F)Oc1cnc2ccccc2c1 34a_100011934006_200103152311 [0,2,0,0,0,0|2,0,0]=4 8295 B16R2.82802 FC(F)(F)Oc1cnc2ccccc2c1 7a_100011934006_200000243211 [0,2,0,0,0,0|2,0,0]=4 8296 B16R2.82802 FC(F)(F)Sc1ccc2ccccc2c1 62a_200000243211_100000233703 [0,2,0,0,0,0|1,1,0]=4 8297 B16R2.83538 CC(=Cc1ccc2ccccc2c1Br)C 271570a_100102525489_200010089984 [0,2,0,0,0,0|1,0,1]=4 8298 B16R2.83538 CC(=Cc1ccc2ccccc2c1C)C 271570a_100102525489_100010221197 [0,2,0,0,0,0|1,0,1]=4 8299 B16R2.83538 CC(=Cc1ccc2ccccc2c1F)C 271570a_100102525489_100009832041 [0,2,0,0,0,0|1,0,1]=4 8300 B16R2.83538 CC(=Cc1ccc2ccccc2c1N)C 271570a_100102525489_100009817101 [0,2,0,0,0,0|1,0,1]=4 8301 B16R2.83538 CC(=Cc1ccc2ccccc2c1O)C 271570a_100102525489_100009996032 [0,2,0,0,0,0|1,0,1]=4 8302 B16R2.83538 CC(=O)Cc1ccc2ccccc2c1Br 1458a_100000070787_100009813938 [0,2,0,0,0,0|1,0,1]=4 8303 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Br 11a_100000705303_100015343762 [0,2,0,0,0,0|1,0,1]=4 8304 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Br 1626a_100000705303_100015343762 [0,2,0,0,0,0|1,0,1]=4 8305 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Cl 11a_100000075557_100015343762 [0,2,0,0,0,0|1,0,1]=4 8306 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Cl 1626a_100000075557_100015343762 [0,2,0,0,0,0|1,0,1]=4 8307 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1O 22a_100000007060_100000070787 [0,2,0,0,0,0|1,0,1]=4 8308 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1O 271570a_203496583355_200009892723 [0,2,0,0,0,0|1,0,1]=4 8309 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1O 527a_100000007060_100103153847 [0,2,0,0,0,0|1,0,1]=4 8310 B16R2.83538 CC(=O)Oc1ccc2ccccc2c1O 271570a_203496583355_200103289829 [0,2,0,0,0,0|0,0,1]=3 8311 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Br 34a_100000705303_100000210206 [0,2,0,0,0,0|1,0,0]=3 8312 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Cl 34a_100000075557_100000210206 [0,2,0,0,0,0|1,0,0]=3 8313 B16R2.83538 CC(C)Nc1ccc2ccccc2c1O 34a_100000007060_100000210206 [0,2,0,0,0,0|1,0,0]=3 8314 B16R2.83538 CC(C)Nc1ccc2cnccc2c1Cl 34a_100009851981_100000210206 [0,2,0,0,0,0|2,0,0]=4 8315 B16R2.83538 CC(C)Nc1ccc2ncccc2c1Br 34a_200009995563_100000210206 [0,2,0,0,0,0|2,0,0]=4 8316 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br 34a_100000183829_100000210206 [0,2,0,0,0,0|0,0,0]=2 8317 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br 7a_100000183829_100000210206 [0,2,0,0,0,0|0,0,0]=2 8318 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Cl 34a_100000029778_100000210206 [0,2,0,0,0,0|0,0,0]=2 8319 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Cl 7a_100000029778_100000210206 [0,2,0,0,0,0|0,0,0]=2 8320 B16R2.83538 CC(C)Oc1ccc2ccccc2c1I 34a_100000041551_100000210206 [0,2,0,0,0,0|0,0,0]=2 8321 B16R2.83538 CC(C)Oc1ccc2ccccc2c1I 7a_100000041551_100000210206 [0,2,0,0,0,0|0,0,0]=2 8322 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N 34a_100000007056_100000210206 [0,2,0,0,0,0|0,0,0]=2 8323 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000210206 [0,2,0,0,0,0|0,0,0]=2 8324 B16R2.83538 CC(C)Oc1ccc2cccnc2c1Br 34a_100010173343_100000210206 [0,2,0,0,0,0|1,0,0]=3 8325 B16R2.83538 CC(C)Oc1ccc2cccnc2c1Br 7a_100010173343_100000210206 [0,2,0,0,0,0|1,0,0]=3 8326 B16R2.83538 CC(C)Oc1ccc2ccncc2c1Br 34a_200010115057_100000210206 [0,2,0,0,0,0|1,0,0]=3 8327 B16R2.83538 CC(C)Oc1ccc2ccncc2c1Br 7a_200010115057_100000210206 [0,2,0,0,0,0|1,0,0]=3 8328 B16R2.83538 CC(C)Oc1ccc2cnccc2c1Cl 34a_100009824633_100000210206 [0,2,0,0,0,0|1,0,0]=3 8329 B16R2.83538 CC(C)Oc1ccc2cnccc2c1Cl 7a_100009824633_100000210206 [0,2,0,0,0,0|1,0,0]=3 8330 B16R2.83538 CC(C)Sc1c[nH]c2ccccc2c1=O 62a_100000210206_100012348052 [0,2,0,0,0,0|1,1,0]=4 8331 B16R2.83538 CC(C)Sc1ccc2ccccc2c1Br 62a_100000210206_200010089984 [0,2,0,0,0,0|0,1,0]=3 8332 B16R2.83538 CC(C)Sc1ccc2ccccc2c1Br 62a_200010089984_100000210206 [0,2,0,0,0,0|0,1,0]=3 8333 B16R2.83538 CC(C)Sc1ccc2ccccc2c1F 62a_100000210206_100009832041 [0,2,0,0,0,0|0,1,0]=3 8334 B16R2.83538 CC(C)Sc1ccc2ccccc2c1F 62a_100009832041_100000210206 [0,2,0,0,0,0|0,1,0]=3 8335 B16R2.83538 CC(C)Sc1ccc2ccccc2c1N 62a_100009817101_100000210206 [0,2,0,0,0,0|0,1,0]=3 8336 B16R2.83538 CC(C)Sc1ccc2ccccc2c1O 62a_100000210206_100009996032 [0,2,0,0,0,0|0,1,0]=3 8337 B16R2.83538 CC(C)Sc1ccc2cccnc2c1F 62a_100000210206_100010751467 [0,2,0,0,0,0|1,1,0]=4 8338 B16R2.83538 CC(C)Sc1ccc2cccnc2c1F 62a_100010751467_100000210206 [0,2,0,0,0,0|1,1,0]=4 8339 B16R2.83538 CC(C)Sc1ccc2cccnc2c1O 62a_100000210206_100009816563 [0,2,0,0,0,0|1,1,0]=4 8340 B16R2.83538 CC(C)Sc1ccc2cnccc2c1N 62a_100000210206_100010191621 [0,2,0,0,0,0|1,1,0]=4 8341 B16R2.83538 CC(C)Sc1ccc2cnccc2c1N 62a_100010191621_100000210206 [0,2,0,0,0,0|1,1,0]=4 8342 B16R2.83538 CC(C)Sc1ccc2ncccc2c1N 62a_200010235790_100000210206 [0,2,0,0,0,0|1,1,0]=4 8343 B16R2.83538 CC(C)Sc1cnc2ccccc2c1Cl 62a_100000210206_100012352519 [0,2,0,0,0,0|1,1,0]=4 8344 B16R2.83538 CC(C)Sc1cnc2ccccc2c1N 62a_100000210206_100009995562 [0,2,0,0,0,0|1,1,0]=4 8345 B16R2.83538 CC(C)Sc1cnc2ccccc2c1N 62a_100009995562_100000210206 [0,2,0,0,0,0|1,1,0]=4 8346 B16R2.83538 CC(C)Sc1coc2ccccc2c1=O 62a_100000210206_100009813851 [0,2,0,0,0,0|1,1,0]=4 8347 B16R2.83538 CC(C)Sc1ncc2ccccc2c1N 62a_100000210206_100000087573 [0,2,0,0,0,0|1,1,0]=4 8348 B16R2.83538 CC(C)Sc1ncc2ccccc2c1N 62a_100009995564_100000210206 [0,2,0,0,0,0|1,1,0]=4 8349 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 2230a_100102631434_100009813938 [0,2,0,0,0,0|2,0,0]=4 8350 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 269982a_100102631434_100009813938 [0,2,0,0,0,0|2,0,0]=4 8351 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 270004a_100102631434_100009813496 [0,2,0,0,0,0|2,0,0]=4 8352 B16R2.83538 Cc1c(ccc2c1cccc2)OC(C)C 34a_100009830054_100000210206 [0,2,0,0,0,0|0,0,0]=2 8353 B16R2.83538 Cc1c(ccc2c1cccc2)OC(C)C 7a_100009830054_100000210206 [0,2,0,0,0,0|0,0,0]=2 8354 B16R2.83538 Cc1c(ccc2c1cccc2)SC(C)C 62a_100000210206_100010221197 [0,2,0,0,0,0|0,1,0]=3 8355 B16R2.83538 Cc1c(ccc2c1cccc2)SC(C)C 62a_100010221197_100000210206 [0,2,0,0,0,0|0,1,0]=3 8356 B16R2.83538 Cc1c(ccc2c1cccn2)SC(C)C 62a_100000210206_200010137439 [0,2,0,0,0,0|1,1,0]=4 8357 B16R2.83538 Cc1c(ccc2c1cccn2)SC(C)C 62a_200010137439_100000210206 [0,2,0,0,0,0|1,1,0]=4 8358 B16R2.83538 Cc1c(ccc2c1nccc2)SC(C)C 62a_100000210206_100010214467 [0,2,0,0,0,0|1,1,0]=4 8359 B16R2.28228 CCOc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100000210202 [0,2,0,0,0,0|0,0,0]=2 8360 B16R2.28228 CCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100000210202 [0,2,0,0,0,0|0,0,0]=2 8361 B16R2.28228 CCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000210202 [0,2,0,0,0,0|0,0,0]=2 8362 B16R2.28228 CCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000210202 [0,2,0,0,0,0|0,0,0]=2 8363 B16R2.28228 CCOc1ccc2nc(ccc2c1Br)C 34a_100010269489_100000210202 [0,2,0,0,0,0|1,0,0]=3 8364 B16R2.28228 CCOc1ccc2nc(ccc2c1Br)C 7a_100010269489_100000210202 [0,2,0,0,0,0|1,0,0]=3 8365 B16R2.28228 CNCc1ccc2cc(ccc2c1Br)Br 26a_100102657272_100009812206 [0,2,0,0,0,0|2,0,0]=4 8366 B16R2.28228 CNCc1ccc2cc(ccc2c1F)Br 26a_100102657272_100010730138 [0,2,0,0,0,0|2,0,0]=4 8367 B16R2.28228 Cc1ccc2c(c(ccc2n1)OCF)Br 34a_100010269489_100015361967 [0,2,0,0,0,0|2,0,0]=4 8368 B16R2.28228 Cc1ccc2c(c(ccc2n1)OCF)Br 7a_100010269489_100015361967 [0,2,0,0,0,0|2,0,0]=4 8369 B16R2.28228 FCOc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100015361967 [0,2,0,0,0,0|1,0,0]=3 8370 B16R2.28228 FCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100015361967 [0,2,0,0,0,0|1,0,0]=3 8371 B16R2.28228 FCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100015361967 [0,2,0,0,0,0|1,0,0]=3 8372 B16R2.28228 FCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100015361967 [0,2,0,0,0,0|1,0,0]=3 8373 B16R2.28256 C=Cc1c(ccc2c1cccc2)COC 271570a_100011290941_200009813570 [0,2,0,0,0,0|2,0,0]=4 8374 B16R2.28256 C=Cc1c(ccc2c1cccc2)OCC 271570a_100011290941_200000173018 [0,2,0,0,0,0|0,0,0]=2 8375 B16R2.28256 CC=Cc1ccc2ccccc2c1C=O 271570a_100016259895_100010090029 [0,2,0,0,0,0|1,0,1]=4 8376 B16R2.28256 CC=Cc1ccc2ccccc2c1OC 271570a_100016259895_100010089960 [0,2,0,0,0,0|1,0,1]=4 8377 B16R2.28256 CCNc1ccc2ncccc2c1OC 34a_100009831023_100000210202 [0,2,0,0,0,0|2,0,0]=4 8378 B16R2.28256 CCOc1ccc2ccccc2c1N=O 34a_100000212102_100000210202 [0,2,0,0,0,0|0,0,0]=2 8379 B16R2.28256 CCOc1ccc2ccccc2c1N=O 7a_100000212102_100000210202 [0,2,0,0,0,0|0,0,0]=2 8380 B16R2.28256 CCOc1ccc2ccccc2c1SC 62a_200000210301_200000173018 [0,2,0,0,0,0|0,0,0]=2 8381 B16R2.28256 CCOc1ccc2ccccc2c1S[13CH3] 62a_200025704644_200000173018 [0,2,0,0,0,0|0,0,0]=2 8382 B16R2.28256 CCOc1cnc2ccccc2c1C#N 7a_100009853984_100000210202 [0,2,0,0,0,0|1,0,0]=3 8383 B16R2.28256 CCSc1ccc2ccccc2c1C=O 62a_100010090029_100000210202 [0,2,0,0,0,0|0,1,0]=3 8384 B16R2.28256 CCSc1ccc2ccccc2c1OC 62a_100000210202_100010089960 [0,2,0,0,0,0|0,1,0]=3 8385 B16R2.28256 CCSc1ccc2cccnc2c1OC 62a_100000210202_100010256708 [0,2,0,0,0,0|1,1,0]=4 8386 B16R2.28256 COCc1ccc2ccccc2c1OC 34a_200000067034_200000210301 [0,2,0,0,0,0|2,0,0]=4 8387 B16R2.28256 COCc1ccc2ccccc2c1OC 7a_200000067034_200000210301 [0,2,0,0,0,0|2,0,0]=4 8388 B16R2.28256 COCc1ccc2ccccc2c1SC 62a_200000210301_200009813570 [0,2,0,0,0,0|2,0,0]=4 8389 B16R2.28256 COCc1ccc2ccccc2c1SC 62a_200009813570_200000210301 [0,2,0,0,0,0|2,0,0]=4 8390 B16R2.28256 COCc1ccc2ccccc2c1S[13CH3] 62a_200009813570_200025704644 [0,2,0,0,0,0|2,0,0]=4 8391 B16R2.28256 COCc1ccc2ccccc2c1S[13CH3] 62a_200025704644_200009813570 [0,2,0,0,0,0|2,0,0]=4 8392 B16R2.28256 COc1c(ccc2c1cccc2)CO[13CH3] 34a_200000067034_200025704644 [0,2,0,0,0,0|2,0,0]=4 8393 B16R2.28256 COc1c(ccc2c1cccc2)CO[13CH3] 7a_200000067034_200025704644 [0,2,0,0,0,0|2,0,0]=4 8394 B16R2.28256 COc1c(ccc2c1cccc2)SCF 62a_100015361967_100010089960 [0,2,0,0,0,0|1,1,0]=4 8395 B16R2.28256 N#Cc1c(cnc2c1cccc2)OCF 7a_100009853984_100015361967 [0,2,0,0,0,0|2,0,0]=4 8396 B16R2.28256 O=Cc1c(ccc2c1cccc2)SCF 62a_100010090029_100015361967 [0,2,0,0,0,0|1,1,0]=4 8397 B16R2.28256 O=Nc1c(ccc2c1cccc2)OCF 34a_100000212102_100015361967 [0,2,0,0,0,0|1,0,0]=3 8398 B16R2.28256 O=Nc1c(ccc2c1cccc2)OCF 7a_100000212102_100015361967 [0,2,0,0,0,0|1,0,0]=3 8399 B16R2.51619 CCSc1ccc2c(=O)cc[nH]c2c1F 62a_100000210202_100022010583 [0,2,0,0,0,0|1,1,0]=4 8400 B16R2.28230 C=Cc1ccc2cc(ccc2c1)OCC 271570a_100011290941_100000170440 [0,2,0,0,0,0|0,0,0]=2 8401 B16R2.28230 C=Cc1ccc2cc(ccc2c1)OCC 34a_200010676335_100000210202 [0,2,0,0,0,0|0,0,0]=2 8402 B16R2.28230 C=Cc1ccc2cc(ccc2c1)OCC 7a_200010676335_100000210202 [0,2,0,0,0,0|0,0,0]=2 8403 B16R2.28230 C=Cc1ccc2cc(ccc2c1)OCF 34a_200010676335_100015361967 [0,2,0,0,0,0|1,0,0]=3 8404 B16R2.28230 C=Cc1ccc2cc(ccc2c1)OCF 7a_200010676335_100015361967 [0,2,0,0,0,0|1,0,0]=3 8405 B16R2.28230 CC=Cc1ccc2cc(ccc2c1)C=O 271570a_100016259895_100012356508 [0,2,0,0,0,0|1,0,1]=4 8406 B16R2.28230 CC=Cc1ccc2cc(ccc2c1)CO 271570a_100016259895_100012356509 [0,2,0,0,0,0|1,0,1]=4 8407 B16R2.28230 CC=Cc1ccc2cc(ccc2c1)OC 271570a_100016259895_100000170439 [0,2,0,0,0,0|1,0,1]=4 8408 B16R2.28230 CCNc1ccc2cc(ccc2n1)C#N 27a_100015525214_100000091635 [0,2,0,0,0,0|2,0,0]=4 8409 B16R2.28230 CCNc1ccc2cc(ccc2n1)OC 27a_100015525214_100000743015 [0,2,0,0,0,0|2,0,0]=4 8410 B16R2.28230 CCNc1ccc2cc(cnc2c1)C#N 27a_100015525214_100010751502 [0,2,0,0,0,0|2,0,0]=4 8411 B16R2.28230 CCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000210202 [0,2,0,0,0,0|0,0,0]=2 8412 B16R2.28230 CCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000210202 [0,2,0,0,0,0|0,0,0]=2 8413 B16R2.28230 CCOc1ccc2cc(ccc2c1)CC 34a_200000085364_100000210202 [0,2,0,0,0,0|0,0,0]=2 8414 B16R2.28230 CCOc1ccc2cc(ccc2c1)CC 7a_200000085364_100000210202 [0,2,0,0,0,0|0,0,0]=2 8415 B16R2.28230 CCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000210202 [0,2,0,0,0,0|0,0,0]=2 8416 B16R2.28230 CCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100000210202 [0,2,0,0,0,0|0,0,0]=2 8417 B16R2.28230 CCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000210202 [0,2,0,0,0,0|0,0,0]=2 8418 B16R2.28230 CCOc1ccc2cc(ccc2c1)SC 62a_200000210301_100000170440 [0,2,0,0,0,0|0,0,0]=2 8419 B16R2.28230 CCOc1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100000170440 [0,2,0,0,0,0|0,0,0]=2 8420 B16R2.28230 CCSc1ccc2cc(ccc2c1)C=O 62a_100000210202_100012356508 [0,2,0,0,0,0|0,1,0]=3 8421 B16R2.28230 CCSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100000210202 [0,2,0,0,0,0|0,1,0]=3 8422 B16R2.28230 CCSc1ccc2cc(ccc2c1)CO 62a_100000210202_100012356509 [0,2,0,0,0,0|0,1,0]=3 8423 B16R2.28230 CCSc1ccc2cc(ccc2c1)CO 62a_100012356509_100000210202 [0,2,0,0,0,0|0,1,0]=3 8424 B16R2.28230 CCSc1ccc2cc(ccc2c1)OC 62a_100000210202_100000170439 [0,2,0,0,0,0|0,1,0]=3 8425 B16R2.28230 CCSc1ccc2cc(ccc2n1)C#N 62a_100000210202_100000091635 [0,2,0,0,0,0|1,1,0]=4 8426 B16R2.28230 CCSc1ccc2cc(ccc2n1)C=O 62a_100000210202_100000087602 [0,2,0,0,0,0|1,1,0]=4 8427 B16R2.28230 CCSc1ccc2cc(ccc2n1)OC 62a_100000210202_100000743015 [0,2,0,0,0,0|1,1,0]=4 8428 B16R2.28230 CCSc1ccc2cc(cnc2c1)C#N 62a_100000210202_100010751502 [0,2,0,0,0,0|1,1,0]=4 8429 B16R2.28230 CCSc1ccc2nc(ccc2c1)C#N 62a_100000210202_200012353941 [0,2,0,0,0,0|1,1,0]=4 8430 B16R2.28230 CCSc1ccc2nc(ccc2c1)NC 62a_200012034361_100000210202 [0,2,0,0,0,0|1,1,0]=4 8431 B16R2.28230 CCSc1ccc2nc(ccc2c1)OC 62a_100000210202_100009817092 [0,2,0,0,0,0|1,1,0]=4 8432 B16R2.28230 CCSc1ccc2nc(ccc2c1)OC 62a_100009817092_100000210202 [0,2,0,0,0,0|1,1,0]=4 8433 B16R2.28230 CCSc1cnc2cc(ccc2c1)C=O 62a_100000210202_100010114372 [0,2,0,0,0,0|1,1,0]=4 8434 B16R2.28230 CCSc1cnc2cc(ccc2c1)C=O 62a_100010114372_100000210202 [0,2,0,0,0,0|1,1,0]=4 8435 B16R2.28230 CCc1ccc2cc(ccc2c1)OCF 34a_200000085364_100015361967 [0,2,0,0,0,0|1,0,0]=3 8436 B16R2.28230 CCc1ccc2cc(ccc2c1)OCF 7a_200000085364_100015361967 [0,2,0,0,0,0|1,0,0]=3 8437 B16R2.28230 CNCc1ccc2cc(ccc2c1)OC 207a_100102657272_100000211743 [0,2,0,0,0,0|2,0,0]=4 8438 B16R2.28230 CNCc1ccc2cc(ccc2c1)OC 270004a_106832991635_100000211743 [0,2,0,0,0,0|2,0,0]=4 8439 B16R2.28230 COCc1ccc2cc(ccc2c1)OC 34a_100000246284_200000210301 [0,2,0,0,0,0|2,0,0]=4 8440 B16R2.28230 COCc1ccc2cc(ccc2c1)OC 7a_100000246284_200000210301 [0,2,0,0,0,0|2,0,0]=4 8441 B16R2.28230 COc1ccc2cc(ccc2c1)CO[13CH3] 34a_100000246284_200025704644 [0,2,0,0,0,0|2,0,0]=4 8442 B16R2.28230 COc1ccc2cc(ccc2c1)CO[13CH3] 7a_100000246284_200025704644 [0,2,0,0,0,0|2,0,0]=4 8443 B16R2.28230 COc1ccc2cc(ccc2c1)OCF 34a_100000039947_100015361967 [0,2,0,0,0,0|1,0,0]=3 8444 B16R2.28230 COc1ccc2cc(ccc2c1)OCF 7a_100000039947_100015361967 [0,2,0,0,0,0|1,0,0]=3 8445 B16R2.28230 COc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000170439 [0,2,0,0,0,0|1,1,0]=4 8446 B16R2.28230 N#Cc1ccc2cc(ccc2c1)OCF 34a_100000035450_100015361967 [0,2,0,0,0,0|1,0,0]=3 8447 B16R2.28230 N#Cc1ccc2cc(ccc2c1)OCF 7a_100000035450_100015361967 [0,2,0,0,0,0|1,0,0]=3 8448 B16R2.28230 NCc1ccc2cc(ccc2c1)OCF 34a_200000083168_100015361967 [0,2,0,0,0,0|1,0,0]=3 8449 B16R2.28230 O=Cc1ccc2cc(ccc2c1)SCF 62a_100012356508_100015361967 [0,2,0,0,0,0|1,1,0]=4 8450 B16R2.28230 O=Cc1ccc2cc(ccc2c1)SCF 62a_100015361967_100012356508 [0,2,0,0,0,0|1,1,0]=4 8451 B16R2.28230 OCc1ccc2cc(ccc2c1)SCF 62a_100012356509_100015361967 [0,2,0,0,0,0|1,1,0]=4 8452 B16R2.28230 OCc1ccc2cc(ccc2c1)SCF 62a_100015361967_100012356509 [0,2,0,0,0,0|1,1,0]=4 8453 B16R2.107778 CC=Cc1ccc2c(c(ccc2c1)O)F 271570a_100016259895_100010730138 [0,2,0,0,0,0|1,0,1]=4 8454 B16R2.107778 CC=Cc1ccc2c(c1)C=CC(=O)C2=O 271570a_100016259895_100009812793 [0,2,0,0,0,0|1,0,1]=4 8455 B16R2.107778 CCSc1ccc2c(=O)n(ccc2c1)C 62a_100000210202_100010246303 [0,2,0,0,0,0|1,1,0]=4 8456 B16R2.107778 CCSc1ccc2c(=O)n(ccc2c1)C 62a_100010246303_100000210202 [0,2,0,0,0,0|1,1,0]=4 8457 B16R2.107778 CCSc1ccc2c(c(ccc2c1)O)F 62a_100000210202_100010730138 [0,2,0,0,0,0|0,1,0]=3 8458 B16R2.107778 CCSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100000210202 [0,2,0,0,0,0|0,1,0]=3 8459 B16R2.107778 CCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100000210202_100009812793 [0,2,0,0,0,0|0,1,0]=3 8460 B16R2.107778 CCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100000210202 [0,2,0,0,0,0|0,1,0]=3 8461 B16R2.107778 O=C1C=Cc2cc(ccc2C1=O)SCF 62a_100009812793_100015361967 [0,2,0,0,0,0|1,1,0]=4 8462 B16R2.107778 O=C1C=Cc2cc(ccc2C1=O)SCF 62a_100015361967_100009812793 [0,2,0,0,0,0|1,1,0]=4 8463 B16R2.107778 Oc1ccc2cc(ccc2c1F)SCF 62a_100010730138_100015361967 [0,2,0,0,0,0|1,1,0]=4 8464 B16R2.107778 Oc1ccc2cc(ccc2c1F)SCF 62a_100015361967_100010730138 [0,2,0,0,0,0|1,1,0]=4 8465 B16R2.619 CCNc1ccc2c(cccc2n1)OC 27a_100015525214_100010382897 [0,2,0,0,0,0|2,0,0]=4 8466 B16R2.619 CCSc1ccc2c(ccnc2c1)OC 62a_100000210202_100010204255 [0,2,0,0,0,0|1,1,0]=4 8467 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,0,1,1,0,0|2,0,0]=4 8468 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,1,1,0,0|0,0,2]=4 8469 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,0,1,1,0,0|1,0,1]=4 8470 B14R2.98 C=Cc1ccccc1c2ccoc2 271570a_100000037480_100011215275 [0,0,1,1,0,0|0,0,2]=4 8471 B14R2.98 C=Cc1ccccc1c2cnoc2 271570a_100000037480_100009815712 [0,0,1,1,0,0|1,0,1]=4 8472 B14R2.98 C=Cc1ccccc1c2cocn2 271570a_100011290941_100010198669 [0,0,1,1,0,0|1,0,1]=4 8473 B14R2.98 CCc1ccccc1C2=COCC2 271570a_100000118173_100011215823 [0,0,1,1,0,0|0,0,2]=4 8474 B14R2.98 CNc1ccccc1C2=COCC2 271570a_100000118173_100020606079 [0,0,1,1,0,0|1,0,1]=4 8475 B14R2.98 COc1ccccc1C2=COCC2 271570a_100000118173_100000174000 [0,0,1,1,0,0|1,0,1]=4 8476 B14R2.98 CSc1ccccc1C2=COCC2 271570a_100000118173_100011217816 [0,0,1,1,0,0|1,0,1]=4 8477 B14R2.98 N#Cc1ccccc1C2=COCC2 271570a_100000118173_100000188569 [0,0,1,1,0,0|1,0,1]=4 8478 B14R2.98 NCc1ccccc1C2=COCC2 271570a_100000118173_100000689332 [0,0,1,1,0,0|1,0,1]=4 8479 B14R2.98 NNc1ccccc1C2=COCC2 271570a_100000118173_100000241748 [0,0,1,1,0,0|2,0,0]=4 8480 B14R2.98 O=Cc1ccccc1C2=CCCC2 271570a_100000089523_100000211189 [0,0,1,1,0,0|2,0,0]=4 8481 B14R2.98 O=Cc1ccccc1C2=COCC2 271570a_100000118173_100000211189 [0,0,1,1,0,0|1,0,0]=3 8482 B14R2.98 O=Cc1cccnc1C2=COCC2 271570a_100000118173_100009816751 [0,0,1,1,0,0|2,0,0]=4 8483 B14R2.98 O=Cc1ccncc1C2=COCC2 271570a_100000118173_100011934409 [0,0,1,1,0,0|2,0,0]=4 8484 B14R2.98 O=Cc1cnccc1C2=COCC2 271570a_100000118173_100000050567 [0,0,1,1,0,0|2,0,0]=4 8485 B14R2.98 O=Cc1ncccc1C2=COCC2 271570a_100000118173_100011934733 [0,0,1,1,0,0|2,0,0]=4 8486 B14R2.98 OCc1ccccc1C2=COCC2 271570a_100000118173_100000187465 [0,0,1,1,0,0|1,0,1]=4 8487 B14R2.1078 C=Cc1cccc2c1ccnc2C 271570a_100011290941_100010137443 [0,0,1,1,0,0|1,0,1]=4 8488 B14R2.11625 O=Cc1ccccc1C=CC2CC2 271570a_100102526188_100000211189 [0,0,1,1,0,0|2,0,0]=4 8489 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [0,0,1,1,0,0|1,0,1]=4 8490 B14R2.7150 CCNc1cccc2c1cccc2 34a_100000185869_100000210202 [0,0,1,1,0,0|1,0,0]=3 8491 B14R2.7150 CCNc1cccc2c1cccn2 27a_100015525214_100011290932 [0,0,1,1,0,0|2,0,0]=4 8492 B14R2.7150 CCNc1cccc2c1cccn2 34a_100000183906_100000210202 [0,0,1,1,0,0|2,0,0]=4 8493 B14R2.7150 CCNc1cccc2c1nccc2 34a_100000181377_100000210202 [0,0,1,1,0,0|2,0,0]=4 8494 B14R2.7150 CCNc1ccnc2c1cccc2 27a_100015525214_100011215880 [0,0,1,1,0,0|2,0,0]=4 8495 B14R2.7150 CCNc1nccc2c1cccc2 27a_100015525214_100011934041 [0,0,1,1,0,0|2,0,0]=4 8496 B14R2.7150 CCOc1cccc2c1CC=CC2 34a_100000074931_100000210202 [0,0,1,1,0,0|0,0,2]=4 8497 B14R2.7150 CCOc1cccc2c1CC=CC2 7a_100000074931_100000210202 [0,0,1,1,0,0|0,0,2]=4 8498 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [0,0,1,1,0,0|0,0,0]=2 8499 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [0,0,1,1,0,0|0,0,0]=2 8500 B14R2.7150 CCOc1cccc2c1cccn2 34a_100011197808_100000210202 [0,0,1,1,0,0|1,0,0]=3 8501 B14R2.7150 CCOc1cccc2c1ccnc2 34a_100011218533_100000210202 [0,0,1,1,0,0|1,0,0]=3 8502 B14R2.7150 CCOc1cccc2c1cncc2 34a_103624766955_100000210202 [0,0,1,1,0,0|1,0,0]=3 8503 B14R2.7150 CCOc1cccc2c1nccc2 34a_100000056035_100000210202 [0,0,1,1,0,0|1,0,0]=3 8504 B14R2.7150 CCOc1cccc2c1nccn2 34a_100000077048_100000210202 [0,0,1,1,0,0|2,0,0]=4 8505 B14R2.7150 CCOc1cccc2c1ncnc2 34a_200000077003_100000210202 [0,0,1,1,0,0|2,0,0]=4 8506 B14R2.7150 CCOc1cncc2c1cccc2 34a_100000066178_100000210202 [0,0,1,1,0,0|1,0,0]=3 8507 B14R2.7150 CCOc1cncc2c1cccc2 7a_100000066178_100000210202 [0,0,1,1,0,0|1,0,0]=3 8508 B14R2.7150 CCOc1nccc2c1cccc2 34a_102531767632_100000210202 [0,0,1,1,0,0|1,0,0]=3 8509 B14R2.7150 CCSc1cccc2c1cccc2 62a_100000210202_100000210605 [0,0,1,1,0,0|0,1,0]=3 8510 B14R2.7150 CCSc1cccc2c1cccn2 62a_100000210202_100011290932 [0,0,1,1,0,0|1,1,0]=4 8511 B14R2.7150 CCSc1cccc2c1cccn2 62a_100011290932_100000210202 [0,0,1,1,0,0|1,1,0]=4 8512 B14R2.7150 CCSc1cccc2c1ccnc2 62a_100000186358_100000210202 [0,0,1,1,0,0|1,1,0]=4 8513 B14R2.7150 CCSc1cccc2c1ccnc2 62a_100000210202_100000186358 [0,0,1,1,0,0|1,1,0]=4 8514 B14R2.7150 CCSc1cccc2c1cncc2 62a_100000210202_100000685578 [0,0,1,1,0,0|1,1,0]=4 8515 B14R2.7150 CCSc1cccc2c1cncc2 62a_100000685578_100000210202 [0,0,1,1,0,0|1,1,0]=4 8516 B14R2.7150 CCSc1cccc2c1nccc2 62a_100000210202_100011215545 [0,0,1,1,0,0|1,1,0]=4 8517 B14R2.7150 CCSc1ccnc2c1cccc2 62a_100000210202_100011215880 [0,0,1,1,0,0|1,1,0]=4 8518 B14R2.7150 CCSc1ccnc2c1cccc2 62a_100011458314_100000210202 [0,0,1,1,0,0|1,1,0]=4 8519 B14R2.7150 CCSc1cncc2c1cccc2 62a_100000187577_100000210202 [0,0,1,1,0,0|1,1,0]=4 8520 B14R2.7150 CCSc1cncc2c1cccc2 62a_100000210202_100000187577 [0,0,1,1,0,0|1,1,0]=4 8521 B14R2.7150 CCSc1nccc2c1cccc2 62a_100000210202_100011934041 [0,0,1,1,0,0|1,1,0]=4 8522 B14R2.7150 CCSc1nccc2c1cccc2 62a_100011934041_100000210202 [0,0,1,1,0,0|1,1,0]=4 8523 B14R2.7150 CNCc1cccc2c1cccc2 207a_100102657272_100000210074 [0,0,1,1,0,0|2,0,0]=4 8524 B14R2.7150 CNCc1cccc2c1cccc2 2230a_106832991635_100011261445 [0,0,1,1,0,0|2,0,0]=4 8525 B14R2.7150 CNCc1cccc2c1cccc2 270004a_106832991635_100000210074 [0,0,1,1,0,0|2,0,0]=4 8526 B14R2.7150 CNCc1cccc2c1cccc2 34a_100000753325_200000210301 [0,0,1,1,0,0|2,0,0]=4 8527 B14R2.7150 CNCc1cccc2c1cccc2 34a_100102657272_100011261445 [0,0,1,1,0,0|2,0,0]=4 8528 B14R2.7150 CNCc1cccc2c1cccc2 7a_106832991635_100011261445 [0,0,1,1,0,0|2,0,0]=4 8529 B14R2.7150 COCc1cccc2c1cccc2 34a_100011216843_200000210301 [0,0,1,1,0,0|2,0,0]=4 8530 B14R2.7150 COCc1cccc2c1cccc2 34a_100138415774_100011261445 [0,0,1,1,0,0|2,0,0]=4 8531 B14R2.7150 COCc1cccc2c1cccc2 7a_100011216843_200000210301 [0,0,1,1,0,0|2,0,0]=4 8532 B14R2.7150 CSCc1cccc2c1cccc2 62a_100011261445_200000210301 [0,0,1,1,0,0|2,0,0]=4 8533 B14R2.7150 CSCc1cccc2c1cccc2 62a_200000210301_100000188474 [0,0,1,1,0,0|2,0,0]=4 8534 B14R2.7150 FCNc1cccc2c1cccc2 34a_100000185869_100015361967 [0,0,1,1,0,0|2,0,0]=4 8535 B14R2.7150 FCOc1cccc2c1cccc2 34a_100000210388_100015361967 [0,0,1,1,0,0|1,0,0]=3 8536 B14R2.7150 FCOc1cccc2c1cccc2 7a_100000210388_100015361967 [0,0,1,1,0,0|1,0,0]=3 8537 B14R2.7150 FCOc1cccc2c1cccn2 34a_100011197808_100015361967 [0,0,1,1,0,0|2,0,0]=4 8538 B14R2.7150 FCOc1cccc2c1ccnc2 34a_100011218533_100015361967 [0,0,1,1,0,0|2,0,0]=4 8539 B14R2.7150 FCOc1cccc2c1cncc2 34a_103624766955_100015361967 [0,0,1,1,0,0|2,0,0]=4 8540 B14R2.7150 FCOc1cccc2c1nccc2 34a_100000056035_100015361967 [0,0,1,1,0,0|2,0,0]=4 8541 B14R2.7150 FCOc1cncc2c1cccc2 34a_100000066178_100015361967 [0,0,1,1,0,0|2,0,0]=4 8542 B14R2.7150 FCOc1cncc2c1cccc2 7a_100000066178_100015361967 [0,0,1,1,0,0|2,0,0]=4 8543 B14R2.7150 FCOc1nccc2c1cccc2 34a_102531767632_100015361967 [0,0,1,1,0,0|2,0,0]=4 8544 B14R2.7150 FCSc1cccc2c1cccc2 62a_100015361967_100000210605 [0,0,1,1,0,0|1,1,0]=4 8545 B14R2.7150 [13CH3]NCc1cccc2c1cccc2 34a_100000753325_200025704644 [0,0,1,1,0,0|2,0,0]=4 8546 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 34a_100011216843_200025704644 [0,0,1,1,0,0|2,0,0]=4 8547 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 7a_100011216843_200025704644 [0,0,1,1,0,0|2,0,0]=4 8548 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_100011261445_200025704644 [0,0,1,1,0,0|2,0,0]=4 8549 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_200025704644_100000188474 [0,0,1,1,0,0|2,0,0]=4 8550 B14R2.3096 CCOc1ccc(c2c1cc[nH]2)C 34a_100000132354_100000210202 [0,0,1,1,0,0|1,0,1]=4 8551 B14R2.3096 CCOc1ccc(c2c1occ2)Br 34a_200020711608_100000210202 [0,0,1,1,0,0|2,0,0]=4 8552 B14R2.3096 CCOc1ccc(c2c1occ2)Br 7a_200020711608_100000210202 [0,0,1,1,0,0|2,0,0]=4 8553 B14R2.82 C=Cc1cc2c(cc1C=O)OCO2 271570a_100011290941_100000186749 [0,0,1,1,0,0|2,0,0]=4 8554 B14R2.1238 C=Cc1ccc2c(c1C=O)OCO2 271570a_100011290941_100009816621 [0,0,1,1,0,0|2,0,0]=4 8555 B14R2.24 Brc1ccccc1C2=CCOCC2 271570a_100000070234_100000695589 [0,0,1,1,0,0|1,0,1]=4 8556 B14R2.24 Cc1ccccc1C2=CCOCC2 271570a_100000070234_100000210755 [0,0,1,1,0,0|0,0,2]=4 8557 B14R2.24 Clc1ccccc1C2=CCOCC2 271570a_100000070234_100000764095 [0,0,1,1,0,0|1,0,1]=4 8558 B14R2.24 Fc1ccccc1C2=CCOCC2 271570a_100000070234_100011215700 [0,0,1,1,0,0|1,0,1]=4 8559 B14R2.24 Nc1ccccc1C2=CCOCC2 271570a_100000070234_100000210017 [0,0,1,1,0,0|1,0,1]=4 8560 B14R2.24 Oc1ccccc1C2=CCOCC2 271570a_100000070234_100000739446 [0,0,1,1,0,0|1,0,1]=4 8561 B14R2.892 C=CCNc1cccc2c1CCO2 2230a_100000084147_100000210623 [0,0,1,1,0,0|1,0,1]=4 8562 B14R2.892 C=CCNc1cccc2c1CCO2 34a_100000084147_100015514636 [0,0,1,1,0,0|1,0,1]=4 8563 B14R2.892 C=CCOc1cccc2c1CCO2 34a_100000090053_100015514636 [0,0,1,1,0,0|1,0,1]=4 8564 B14R2.892 C=CCOc1cccc2c1CCO2 7a_100000090053_100015514636 [0,0,1,1,0,0|1,0,1]=4 8565 B14R2.892 C=CCSc1cccc2c1CCO2 62a_100000210623_100009819624 [0,0,1,1,0,0|1,0,1]=4 8566 B14R2.892 C=CCSc1cccc2c1CCO2 62a_100009819624_100000210623 [0,0,1,1,0,0|1,0,1]=4 8567 B14R3.51 c1ccc2c(coc2c1)C3CC3 271570a_100011220607_100009812202 [0,0,0,1,1,0|2,0,0]=4 8568 B14R3.51 c1ccc2c(csc2c1)C3CC3 271570a_100011220607_100009813928 [0,0,0,1,1,0|2,0,0]=4 8569 B14R3.14987 c1ccc2[nH]c(cc2c1)C3CC3 271570a_100011220607_100010232065 [0,0,0,1,1,0|2,0,0]=4 8570 B14R3.14987 c1ccc2oc(cc2c1)C3CC3 271570a_100011220607_100010159458 [0,0,0,1,1,0|2,0,0]=4 8571 B14R3.14987 c1ccc2sc(cc2c1)C3CC3 271570a_100011220607_100009816949 [0,0,0,1,1,0|2,0,0]=4 8572 B14R3.3015 C1=Cc2cc(ccc2C1)C3CC3 271570a_100011220607_100009814306 [0,0,0,1,1,0|1,0,1]=4 8573 B14R3.3015 C1=Cc2ccc(cc2C1)C3CC3 271570a_100011220607_200009818231 [0,0,0,1,1,0|1,0,1]=4 8574 B14R3.3015 c1cc2cc(ccc2[nH]1)C3CC3 271570a_100011220607_100000211741 [0,0,0,1,1,0|2,0,0]=4 8575 B14R3.3015 c1cc2cc(ccc2o1)C3CC3 271570a_100011220607_100012343831 [0,0,0,1,1,0|2,0,0]=4 8576 B14R3.3015 c1cc2cc(ccc2s1)C3CC3 271570a_100011220607_100009814439 [0,0,0,1,1,0|2,0,0]=4 8577 B14R3.3015 c1cc2ccc(cc2[nH]1)C3CC3 271570a_100011220607_100000743809 [0,0,0,1,1,0|2,0,0]=4 8578 B14R3.3015 c1cc2ccc(cc2o1)C3CC3 271570a_100011220607_100000759542 [0,0,0,1,1,0|2,0,0]=4 8579 B14R3.3015 c1cc2ccc(cc2s1)C3CC3 271570a_100011220607_100009888917 [0,0,0,1,1,0|2,0,0]=4 8580 B14R3.3015 c1cc2cscc2cc1C3CC3 271570a_100011220607_200010760811 [0,0,0,1,1,0|2,0,0]=4 8581 B16R3.63903 c1cc2cc(ccc2cn1)NC3CC3 34a_100000039641_100000211595 [0,1,0,1,0,0|2,0,0]=4 8582 B16R3.63903 c1cc2cc(ccc2cn1)OC3CC3 34a_100000046372_100000211595 [0,1,0,1,0,0|1,0,0]=3 8583 B16R3.63903 c1cc2cc(ccc2cn1)SC3CC3 62a_100009816743_100000211595 [0,1,0,1,0,0|1,1,0]=4 8584 B16R3.63903 c1cc2ccc(cc2cn1)SC3CC3 62a_100000686496_100000211595 [0,1,0,1,0,0|1,1,0]=4 8585 B16R3.63903 c1ccc2cc(ccc2c1)NC3CC3 34a_100000211940_100000211595 [0,1,0,1,0,0|1,0,0]=3 8586 B16R3.63903 c1ccc2cc(ccc2c1)OC3CC3 34a_100000185828_100000211595 [0,1,0,1,0,0|0,0,0]=2 8587 B16R3.63903 c1ccc2cc(ncc2c1)SC3CC3 62a_100009816522_100000211595 [0,1,0,1,0,0|1,1,0]=4 8588 B16R3.63903 c1ccc2nc(ccc2c1)NC3CC3 27a_100000212008_100011291633 [0,1,0,1,0,0|2,0,0]=4 8589 B16R3.63903 c1ccc2nc(ccc2c1)SC3CC3 62a_100011291633_100000211595 [0,1,0,1,0,0|1,1,0]=4 8590 B16R3.63903 c1ccc2ncc(cc2c1)OC3CC3 34a_100011934006_100000211595 [0,1,0,1,0,0|1,0,0]=3 8591 B16R3.63903 c1cnc2cc(ccc2c1)NC3CC3 34a_100102887122_100000211595 [0,1,0,1,0,0|2,0,0]=4 8592 B16R3.63903 c1cnc2cc(ccc2c1)OC3CC3 34a_100011216045_100000211595 [0,1,0,1,0,0|1,0,0]=3 8593 B16R3.63903 c1cnc2cc(ccc2n1)OC3CC3 34a_100000694412_100000211595 [0,1,0,1,0,0|2,0,0]=4 8594 B16R3.63903 c1cnc2ccc(cc2c1)NC3CC3 34a_100011198106_100000211595 [0,1,0,1,0,0|2,0,0]=4 8595 B16R3.63903 c1cnc2ccc(cc2c1)OC3CC3 34a_100011215586_100000211595 [0,1,0,1,0,0|1,0,0]=3 8596 B16R3.63903 c1cnc2ccc(cc2c1)SC3CC3 62a_100011215947_100000211595 [0,1,0,1,0,0|1,1,0]=4 8597 B16R3.275899 c1ccc2nc(ccc2c1)N3CCC3 27a_100000754969_100011291633 [0,1,0,1,0,0|2,0,0]=4 8598 B16R3.2754 Oc1c2c(nc3c1cccc3)CCC2 271570a_203496583355_100011467374 [0,1,0,1,0,0|2,0,0]=4 8599 B16R3.13490 Oc1cc2onnc2c3c1cccc3 271570a_203496583355_100121572884 [0,1,0,1,0,0|2,0,0]=4 8600 B16R3.31922 Cc1cc(cc2c1nccc2)C3CC3 271570a_100011220607_100010130319 [0,1,0,1,0,0|2,0,0]=4 8601 B16R3.31922 Cc1cc(nc2c1cccc2)C3CC3 271570a_100011220607_100012354972 [0,1,0,1,0,0|2,0,0]=4 8602 B16R3.31922 Clc1cc(cc2c1nccc2)C3CC3 271570a_100011220607_200010369337 [0,1,0,1,0,0|2,0,0]=4 8603 B16R3.31922 Fc1cc(cc2c1cncc2)C3CC3 271570a_100011220607_100011068762 [0,1,0,1,0,0|2,0,0]=4 8604 B16R3.31922 Fc1cc(cc2c1nccc2)C3CC3 271570a_100011220607_100010234705 [0,1,0,1,0,0|2,0,0]=4 8605 B16R3.31922 Nc1cc(cc2c1cccc2)C3CC3 271570a_100011220607_100010171453 [0,1,0,1,0,0|1,0,0]=3 8606 B16R3.31922 Nc1cc(cc2c1cccn2)C3CC3 271570a_100011220607_200010263263 [0,1,0,1,0,0|2,0,0]=4 8607 B16R3.31922 Nc1cc(cc2c1nccc2)C3CC3 271570a_100011220607_100009814519 [0,1,0,1,0,0|2,0,0]=4 8608 B16R3.31922 Nc1cc(nc2c1cccc2)C3CC3 271570a_100011220607_100010197925 [0,1,0,1,0,0|2,0,0]=4 8609 B16R3.31922 Nc1nc(cc2c1cccc2)C3CC3 271570a_100011220607_100009957331 [0,1,0,1,0,0|2,0,0]=4 8610 B16R3.31922 O=c1cc([nH]c2c1cccc2)C3CC3 271570a_100011220607_100000090176 [0,1,0,1,0,0|2,0,0]=4 8611 B16R3.31922 Oc1cc(cc2c1cccc2)C3CC3 271570a_100011220607_100010089979 [0,1,0,1,0,0|1,0,0]=3 8612 B16R3.31922 Oc1cc(cc2c1nccc2)C3CC3 271570a_100011220607_100010248853 [0,1,0,1,0,0|2,0,0]=4 8613 B16R3.31922 [O-][n+]1cc(cc2c1cccc2)C3CC3 271570a_100011220607_200010000521 [0,1,0,1,0,0|2,0,0]=4 8614 B16R3.3492 Brc1cc2ccccc2cc1C3CC3 271570a_100011220607_200010169544 [0,1,0,1,0,0|1,0,0]=3 8615 B16R3.3492 Brc1cc2ccccc2nc1C3CC3 271570a_100011220607_100010072790 [0,1,0,1,0,0|2,0,0]=4 8616 B16R3.3492 Cc1cc2ccccc2nc1C3CC3 271570a_100011220607_100000751756 [0,1,0,1,0,0|2,0,0]=4 8617 B16R3.3492 Cc1cc2ncccc2cc1C3CC3 271570a_100011220607_100010137429 [0,1,0,1,0,0|2,0,0]=4 8618 B16R3.3492 Clc1cc2ccccc2cc1C3CC3 271570a_100011220607_100010152806 [0,1,0,1,0,0|1,0,0]=3 8619 B16R3.3492 Clc1nc2ccccc2cc1C3CC3 271570a_100011220607_100010220712 [0,1,0,1,0,0|2,0,0]=4 8620 B16R3.3492 Fc1cc2ccncc2cc1C3CC3 271570a_100011220607_100010244713 [0,1,0,1,0,0|2,0,0]=4 8621 B16R3.3492 Fc1cc2cnccc2cc1C3CC3 271570a_100011220607_100011105921 [0,1,0,1,0,0|2,0,0]=4 8622 B16R3.3492 Fc1cc2ncccc2cc1C3CC3 271570a_100011220607_100009854028 [0,1,0,1,0,0|2,0,0]=4 8623 B16R3.3492 Fc1nc2ccccc2cc1C3CC3 271570a_100011220607_100011158909 [0,1,0,1,0,0|2,0,0]=4 8624 B16R3.3492 Nc1cc2ccccc2cc1C3CC3 271570a_100011220607_100009991566 [0,1,0,1,0,0|1,0,0]=3 8625 B16R3.3492 Nc1nc2ccccc2cc1C3CC3 271570a_100011220607_100010135404 [0,1,0,1,0,0|2,0,0]=4 8626 B16R3.3492 O=c1oc2ccccc2cc1C3CC3 271570a_100011220607_200000187772 [0,1,0,1,0,0|2,0,0]=4 8627 B16R3.3492 Oc1cc2ccccc2cc1C3CC3 271570a_100011220607_100009817189 [0,1,0,1,0,0|1,0,0]=3 8628 B16R3.3492 Oc1cc2ccccc2nc1C3CC3 271570a_100011220607_200000100762 [0,1,0,1,0,0|2,0,0]=4 8629 B16R3.3492 Oc1cc2cccnc2cc1C3CC3 271570a_100011220607_200010153759 [0,1,0,1,0,0|2,0,0]=4 8630 B16R3.3492 Oc1nc2ccccc2cc1C3CC3 271570a_100011220607_200009820883 [0,1,0,1,0,0|2,0,0]=4 8631 B16R3.10767 Brc1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100010740133 [0,1,0,1,0,0|2,0,0]=4 8632 B16R3.10767 Brc1cnc2ccc(cc2c1)C3CC3 271570a_100011220607_200010254249 [0,1,0,1,0,0|2,0,0]=4 8633 B16R3.10767 Cc1ccc2ccc(cc2n1)C3CC3 271570a_100011220607_100009817087 [0,1,0,1,0,0|2,0,0]=4 8634 B16R3.10767 Cc1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100015841224 [0,1,0,1,0,0|2,0,0]=4 8635 B16R3.10767 Cc1cnc2ccc(cc2c1)C3CC3 271570a_100011220607_100009817055 [0,1,0,1,0,0|2,0,0]=4 8636 B16R3.10767 Clc1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100015929906 [0,1,0,1,0,0|2,0,0]=4 8637 B16R3.10767 Fc1cc2cc(ccc2cn1)C3CC3 271570a_100011220607_100010291885 [0,1,0,1,0,0|2,0,0]=4 8638 B16R3.10767 Fc1ccc2cnc(cc2c1)C3CC3 271570a_100011220607_100009828686 [0,1,0,1,0,0|2,0,0]=4 8639 B16R3.10767 Nc1cc2cc(ccc2cn1)C3CC3 271570a_100011220607_100009817123 [0,1,0,1,0,0|2,0,0]=4 8640 B16R3.10767 Nc1ccc2ccc(cc2c1)C3CC3 271570a_100011220607_100010090036 [0,1,0,1,0,0|1,0,0]=3 8641 B16R3.10767 Nc1ccc2ccc(cc2n1)C3CC3 271570a_100011220607_100010187616 [0,1,0,1,0,0|2,0,0]=4 8642 B16R3.10767 Nc1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100009888932 [0,1,0,1,0,0|2,0,0]=4 8643 B16R3.10767 O=c1ccc2ccc(cc2o1)C3CC3 271570a_100011220607_100009993525 [0,1,0,1,0,0|2,0,0]=4 8644 B16R3.10767 Oc1cc2cc(ccc2cn1)C3CC3 271570a_100011220607_100009817130 [0,1,0,1,0,0|2,0,0]=4 8645 B16R3.10767 Oc1ccc2ccc(cc2c1)C3CC3 271570a_100011220607_100009816537 [0,1,0,1,0,0|1,0,0]=3 8646 B16R3.10767 Oc1ccc2ccc(cc2n1)C3CC3 271570a_100011220607_100000690401 [0,1,0,1,0,0|2,0,0]=4 8647 B16R3.10767 Oc1ccc2ccc(nc2c1)C3CC3 271570a_100011220607_100000079174 [0,1,0,1,0,0|2,0,0]=4 8648 B16R3.10767 Oc1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100010137430 [0,1,0,1,0,0|2,0,0]=4 8649 B16R3.10767 Oc1cnc2ccc(cc2c1)C3CC3 271570a_100011220607_100000703654 [0,1,0,1,0,0|2,0,0]=4 8650 B16R3.10767 [O-][n+]1ccc2ccc(cc2c1)C3CC3 271570a_100011220607_100009816120 [0,1,0,1,0,0|2,0,0]=4 8651 B16R3.186177 Cc1cccc2c1cc(cc2)C3CC3 271570a_100011220607_100010089936 [0,1,0,1,0,0|1,0,0]=3 8652 B16R3.186177 Cc1cccc2c1nc(cc2)C3CC3 271570a_100011220607_100012002297 [0,1,0,1,0,0|2,0,0]=4 8653 B16R3.186177 Cc1ccnc2c1cc(cc2)C3CC3 271570a_100011220607_100009817033 [0,1,0,1,0,0|2,0,0]=4 8654 B16R3.186177 Cc1nccc2c1cc(cc2)C3CC3 271570a_100011220607_200010739692 [0,1,0,1,0,0|2,0,0]=4 8655 B16R3.186177 Clc1ccnc2c1cc(cc2)C3CC3 271570a_100011220607_100011310491 [0,1,0,1,0,0|2,0,0]=4 8656 B16R3.186177 Fc1cccc2c1nc(cc2)C3CC3 271570a_100011220607_100012017632 [0,1,0,1,0,0|2,0,0]=4 8657 B16R3.186177 Nc1cccc2c1cc(cc2)C3CC3 271570a_100011220607_100010090012 [0,1,0,1,0,0|1,0,0]=3 8658 B16R3.186177 Nc1cccc2c1cc(cn2)C3CC3 271570a_100011220607_100010264086 [0,1,0,1,0,0|2,0,0]=4 8659 B16R3.186177 Nc1ccnc2c1cc(cc2)C3CC3 271570a_100011220607_100011620571 [0,1,0,1,0,0|2,0,0]=4 8660 B16R3.186177 Nc1nccc2c1cc(cc2)C3CC3 271570a_100011220607_100012352255 [0,1,0,1,0,0|2,0,0]=4 8661 B16R3.186177 O=c1cc[nH]c2c1cc(cc2)C3CC3 271570a_100011220607_100000746092 [0,1,0,1,0,0|2,0,0]=4 8662 B16R3.186177 O=c1ccoc2c1cc(cc2)C3CC3 271570a_100011220607_100009813387 [0,1,0,1,0,0|2,0,0]=4 8663 B16R3.186177 Oc1cccc2c1cc(cc2)C3CC3 271570a_100011220607_100010089991 [0,1,0,1,0,0|1,0,0]=3 8664 B16R3.186177 Oc1cccc2c1cc(cn2)C3CC3 271570a_100011220607_200010153752 [0,1,0,1,0,0|2,0,0]=4 8665 B16R3.186177 Oc1cccc2c1nc(cc2)C3CC3 271570a_100011220607_100010153751 [0,1,0,1,0,0|2,0,0]=4 8666 B16R3.186177 Oc1cncc2c1cc(cc2)C3CC3 271570a_100011220607_100010136424 [0,1,0,1,0,0|2,0,0]=4 8667 B16R3.186177 Oc1nccc2c1cc(cc2)C3CC3 271570a_100011220607_100000010956 [0,1,0,1,0,0|2,0,0]=4 8668 B16R3.20604 Brc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_200010089984 [0,1,0,1,0,0|1,0,0]=3 8669 B16R3.20604 Cc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100010221197 [0,1,0,1,0,0|1,0,0]=3 8670 B16R3.20604 Cc1c(ccc2c1cccn2)C3CC3 271570a_100011220607_200010137439 [0,1,0,1,0,0|2,0,0]=4 8671 B16R3.20604 Cc1c(ccc2c1nccc2)C3CC3 271570a_100011220607_100010214467 [0,1,0,1,0,0|2,0,0]=4 8672 B16R3.20604 Clc1c(cnc2c1cccc2)C3CC3 271570a_100011220607_100012352519 [0,1,0,1,0,0|2,0,0]=4 8673 B16R3.20604 Fc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100009832041 [0,1,0,1,0,0|1,0,0]=3 8674 B16R3.20604 Fc1c(ccc2c1nccc2)C3CC3 271570a_100011220607_100010751467 [0,1,0,1,0,0|2,0,0]=4 8675 B16R3.20604 Nc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100009817101 [0,1,0,1,0,0|1,0,0]=3 8676 B16R3.20604 Nc1c(ccc2c1cccn2)C3CC3 271570a_100011220607_200010235790 [0,1,0,1,0,0|2,0,0]=4 8677 B16R3.20604 Nc1c(ccc2c1ccnc2)C3CC3 271570a_100011220607_100010191621 [0,1,0,1,0,0|2,0,0]=4 8678 B16R3.20604 Nc1c(cnc2c1cccc2)C3CC3 271570a_100011220607_100009995562 [0,1,0,1,0,0|2,0,0]=4 8679 B16R3.20604 Nc1c(ncc2c1cccc2)C3CC3 271570a_100011220607_100000087573 [0,1,0,1,0,0|2,0,0]=4 8680 B16R3.20604 O=c1c(c[nH]c2c1cccc2)C3CC3 271570a_100011220607_100012339567 [0,1,0,1,0,0|2,0,0]=4 8681 B16R3.20604 O=c1c(coc2c1cccc2)C3CC3 271570a_100011220607_100009813851 [0,1,0,1,0,0|2,0,0]=4 8682 B16R3.20604 Oc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100009996032 [0,1,0,1,0,0|1,0,0]=3 8683 B16R3.20604 Oc1c(ccc2c1nccc2)C3CC3 271570a_100011220607_100009816563 [0,1,0,1,0,0|2,0,0]=4 8684 B16R3.96480 Brc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100012344972 [0,1,0,1,0,0|1,0,0]=3 8685 B16R3.96480 Brc1cnc2cc(ccc2c1)C3CC3 271570a_100011220607_200015509644 [0,1,0,1,0,0|2,0,0]=4 8686 B16R3.96480 C[n+]1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100015191232 [0,1,0,1,0,0|2,0,0]=4 8687 B16R3.96480 Cc1ccc2cc(ccc2n1)C3CC3 271570a_100011220607_100000686635 [0,1,0,1,0,0|2,0,0]=4 8688 B16R3.96480 Cc1ccc2nc(ccc2c1)C3CC3 271570a_100011220607_100011865911 [0,1,0,1,0,0|2,0,0]=4 8689 B16R3.96480 Cc1cnc2cc(ccc2c1)C3CC3 271570a_100011220607_100010751441 [0,1,0,1,0,0|2,0,0]=4 8690 B16R3.96480 Clc1ccc2cc(ccc2n1)C3CC3 271570a_100011220607_200012034268 [0,1,0,1,0,0|2,0,0]=4 8691 B16R3.96480 Clc1ccc2cc(cnc2c1)C3CC3 271570a_100011220607_100015716233 [0,1,0,1,0,0|2,0,0]=4 8692 B16R3.96480 Fc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100009817052 [0,1,0,1,0,0|1,0,0]=3 8693 B16R3.96480 Fc1ccc2nc(ccc2c1)C3CC3 271570a_100011220607_100011998705 [0,1,0,1,0,0|2,0,0]=4 8694 B16R3.96480 Fc1cnc2cc(ccc2c1)C3CC3 271570a_100011220607_100010751466 [0,1,0,1,0,0|2,0,0]=4 8695 B16R3.96480 Nc1cc2ccc(cc2cn1)C3CC3 271570a_100011220607_100010232990 [0,1,0,1,0,0|2,0,0]=4 8696 B16R3.96480 Nc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000185457 [0,1,0,1,0,0|1,0,0]=3 8697 B16R3.96480 Nc1ccc2cc(ccc2n1)C3CC3 271570a_100011220607_100011934619 [0,1,0,1,0,0|2,0,0]=4 8698 B16R3.96480 Nc1ccc2cc(cnc2c1)C3CC3 271570a_100011220607_200010264087 [0,1,0,1,0,0|2,0,0]=4 8699 B16R3.96480 Nc1cnc2cc(ccc2c1)C3CC3 271570a_100011220607_100010142226 [0,1,0,1,0,0|2,0,0]=4 8700 B16R3.96480 O=c1ccc2cc(ccc2[nH]1)C3CC3 271570a_100011220607_100011934725 [0,1,0,1,0,0|2,0,0]=4 8701 B16R3.96480 O=c1ccc2cc(ccc2o1)C3CC3 271570a_100011220607_100009999946 [0,1,0,1,0,0|2,0,0]=4 8702 B16R3.96480 Oc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000185455 [0,1,0,1,0,0|1,0,0]=3 8703 B16R3.96480 Oc1ccc2cc(cnc2c1)C3CC3 271570a_100011220607_200010153753 [0,1,0,1,0,0|2,0,0]=4 8704 B16R3.96480 Oc1ccc2nc(ccc2c1)C3CC3 271570a_100011220607_100009849208 [0,1,0,1,0,0|2,0,0]=4 8705 B16R3.28181 Brc1cccc2c1ncc(c2)C3CC3 271570a_100011220607_100010204298 [0,1,0,1,0,0|2,0,0]=4 8706 B16R3.28181 Cc1cccc2c1ncc(c2)C3CC3 271570a_100011220607_100009829671 [0,1,0,1,0,0|2,0,0]=4 8707 B16R3.28181 Cc1ccnc2c1ccc(c2)C3CC3 271570a_100011220607_100010132309 [0,1,0,1,0,0|2,0,0]=4 8708 B16R3.28181 Clc1cccc2c1ncc(c2)C3CC3 271570a_100011220607_100000759377 [0,1,0,1,0,0|2,0,0]=4 8709 B16R3.28181 Clc1ccnc2c1ccc(c2)C3CC3 271570a_100011220607_100009996786 [0,1,0,1,0,0|2,0,0]=4 8710 B16R3.28181 Fc1cccc2c1ncc(c2)C3CC3 271570a_100011220607_100000049890 [0,1,0,1,0,0|2,0,0]=4 8711 B16R3.28181 Nc1cccc2c1ccc(c2)C3CC3 271570a_100011220607_100010090037 [0,1,0,1,0,0|1,0,0]=3 8712 B16R3.28181 Nc1cccc2c1ncc(c2)C3CC3 271570a_100011220607_100000702407 [0,1,0,1,0,0|2,0,0]=4 8713 B16R3.28181 Nc1ccnc2c1ccc(c2)C3CC3 271570a_100011220607_200009816820 [0,1,0,1,0,0|2,0,0]=4 8714 B16R3.28181 Nc1nccc2c1ccc(c2)C3CC3 271570a_100011220607_100000732483 [0,1,0,1,0,0|2,0,0]=4 8715 B16R3.28181 O=c1ccoc2c1ccc(c2)C3CC3 271570a_100011220607_100010062221 [0,1,0,1,0,0|2,0,0]=4 8716 B16R3.28181 Oc1cccc2c1ccc(c2)C3CC3 271570a_100011220607_100010202202 [0,1,0,1,0,0|1,0,0]=3 8717 B16R3.28181 Oc1ccnc2c1ccc(c2)C3CC3 271570a_100011220607_100000756855 [0,1,0,1,0,0|2,0,0]=4 8718 B16R3.28181 Oc1nccc2c1ccc(c2)C3CC3 271570a_100011220607_100000760485 [0,1,0,1,0,0|2,0,0]=4 8719 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,0,1,0,1,0|2,0,0]=4 8720 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,0,1,0,1,0|2,0,0]=4 8721 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [0,0,1,0,1,0|2,0,0]=4 8722 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [0,0,1,0,1,0|2,0,0]=4 8723 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,0,1,0,1,0|1,0,1]=4 8724 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,0,1,0,1,0|0,0,1]=3 8725 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,0,1,0,1,0|0,0,1]=3 8726 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,0,1,0,1,0|1,0,1]=4 8727 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,0,1,0,1,0|1,0,1]=4 8728 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,0,1,0,1,0|0,1,1]=4 8729 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,0,1,0,1,0|0,1,1]=4 8730 B12R1.45 CCOC=Cc1ccoc1C=O 271570a_100016256518_100000756499 [0,0,1,0,1,0|2,0,0]=4 8731 B12R1.45 CCOC=Cc1ccsc1C=O 271570a_100016256518_100000766043 [0,0,1,0,1,0|2,0,0]=4 8732 B12R1.45 CCOC=Cc1cscc1C=O 271570a_100016256518_100000685484 [0,0,1,0,1,0|2,0,0]=4 8733 B12R1.45 CCOC=Cc1sccc1C=O 271570a_100016256518_100009816921 [0,0,1,0,1,0|2,0,0]=4 8734 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,0,1,0,1,0|2,0,0]=4 8735 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,0,0,0,1,0|1,0,0]=3 8736 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,0,0,0,1,0|1,0,0]=3 8737 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,0,0,0,1,0|1,1,0]=4 8738 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [1,0,0,0,1,0|1,1,0]=4 8739 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,0,0,0,1,0|1,0,0]=3 8740 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,0,0,0,1,0|1,0,0]=3 8741 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,0,0,0,1,0|1,1,0]=4 8742 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [1,0,0,0,1,0|1,1,0]=4 8743 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,0,0,0,1,0|1,1,0]=4 8744 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,0,0,0,1,0|1,1,0]=4 8745 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [1,0,0,0,1,0|1,1,0]=4 8746 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,0,0,0,1,0|1,1,0]=4 8747 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,0,0,0,1,0|1,1,0]=4 8748 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [1,0,0,0,1,0|1,1,0]=4 8749 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [1,0,0,0,1,0|2,0,0]=4 8750 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [1,0,0,0,1,0|2,0,0]=4 8751 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [1,0,0,0,1,0|2,0,0]=4 8752 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,0,1,0|1,0,0]=3 8753 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,0,1,0|1,0,0]=3 8754 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,0,1,0|1,0,0]=3 8755 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,0,1,0|1,0,0]=3 8756 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [1,0,0,0,1,0|2,0,0]=4 8757 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [1,0,0,0,1,0|2,0,0]=4 8758 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [1,0,0,0,1,0|2,0,0]=4 8759 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [1,0,0,0,1,0|2,0,0]=4 8760 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,0,0,0,1,0|1,0,0]=3 8761 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,0,0,0,1,0|1,0,0]=3 8762 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,0,0,0,1,0|1,0,0]=3 8763 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,0,0,0,1,0|1,0,0]=3 8764 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [1,0,0,0,1,0|2,0,0]=4 8765 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [1,0,0,0,1,0|2,0,0]=4 8766 B12R2.44 COc1ccn2ccnc2c1 34a_100009863278_200000210301 [1,0,0,0,1,0|2,0,0]=4 8767 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [1,0,0,0,1,0|2,0,0]=4 8768 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [1,0,0,0,1,0|1,1,0]=4 8769 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [1,0,0,0,1,0|0,1,1]=4 8770 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [1,0,0,0,1,0|0,1,1]=4 8771 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [1,0,0,0,1,0|0,1,1]=4 8772 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [1,0,0,0,1,0|0,1,1]=4 8773 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [1,0,0,0,1,0|1,1,0]=4 8774 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [1,0,0,0,1,0|1,1,0]=4 8775 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [1,0,0,0,1,0|1,1,0]=4 8776 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [1,0,0,0,1,0|1,1,0]=4 8777 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [1,0,0,0,1,0|1,1,0]=4 8778 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [1,0,0,0,1,0|1,1,0]=4 8779 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [1,0,0,0,1,0|2,0,0]=4 8780 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [1,0,0,0,1,0|2,0,0]=4 8781 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [1,0,0,0,1,0|2,0,0]=4 8782 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,0,1,0|1,0,0]=3 8783 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,0,1,0|1,0,0]=3 8784 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,0,1,0|1,0,0]=3 8785 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,0,1,0|1,0,0]=3 8786 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [1,0,0,0,1,0|2,0,0]=4 8787 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [1,0,0,0,1,0|2,0,0]=4 8788 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [1,0,0,0,1,0|2,0,0]=4 8789 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [1,0,0,0,1,0|2,0,0]=4 8790 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,0,0,0,1,0|1,0,0]=3 8791 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,0,0,0,1,0|1,0,0]=3 8792 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,0,0,0,1,0|1,0,0]=3 8793 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,0,0,0,1,0|1,0,0]=3 8794 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [1,0,0,0,1,0|2,0,0]=4 8795 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [1,0,0,0,1,0|2,0,0]=4 8796 B12R2.44 [13CH3]Oc1ccn2ccnc2c1 34a_100009863278_200025704644 [1,0,0,0,1,0|2,0,0]=4 8797 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [1,0,0,0,1,0|2,0,0]=4 8798 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [1,0,0,0,1,0|1,1,0]=4 8799 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [1,0,0,0,1,0|0,1,1]=4 8800 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [1,0,0,0,1,0|0,1,1]=4 8801 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [1,0,0,0,1,0|0,1,1]=4 8802 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [1,0,0,0,1,0|0,1,1]=4 8803 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [1,0,0,0,1,0|1,1,0]=4 8804 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [1,0,0,0,1,0|1,1,0]=4 8805 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [1,0,0,0,1,0|1,1,0]=4 8806 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [1,0,0,0,1,0|1,1,0]=4 8807 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [1,0,0,0,1,0|1,1,0]=4 8808 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [1,0,0,0,1,0|1,1,0]=4 8809 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100000211992_100016265936 [0,0,1,0,0,1|2,0,0]=4 8810 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210303 [0,0,1,0,0,1|2,0,0]=4 8811 B14R1.520 CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210303 [0,0,1,0,0,1|2,0,0]=4 8812 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 11a_100015525214_100011219626 [0,0,1,0,0,1|2,0,0]=4 8813 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 240690a_100015525214_100011219626 [0,0,1,0,0,1|2,0,0]=4 8814 B14R1.520 CCNC(=O)C=CSc1ccccc1 11a_100015525214_100016262050 [0,0,1,0,0,1|2,0,0]=4 8815 B14R1.520 CCNC(=O)C=CSc1ccccc1 240690a_100015525214_100016262050 [0,0,1,0,0,1|2,0,0]=4 8816 B14R1.520 CCOC(=O)C=NNc1ccccc1 4a_100015195140_100000742314 [0,0,1,0,0,1|2,0,0]=4