0 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748629 [0,0,0,0,0,0|1,0,2]=3 1 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748629 [0,0,0,0,0,0|1,0,2]=3 2 B16R2.477 C=C(C)CNc1ccc2ccccc2n1 27a_100000765925_100011291633 [0,0,0,0,0,0|2,0,2]=4 3 B16R2.477 C=C(C)CNc1ccc2cccnc2c1 34a_100102887122_100000748629 [0,0,0,0,0,0|2,0,2]=4 4 B16R2.477 C=C(C)CNc1ccc2cnccc2c1 34a_100000039641_100000748629 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.477 C=C(C)CNc1ccc2ncccc2c1 34a_100011198106_100000748629 [0,0,0,0,0,0|2,0,2]=4 6 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [0,0,0,0,0,0|0,0,2]=2 7 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [0,0,0,0,0,0|0,0,2]=2 8 B16R2.477 C=C(C)COc1ccc2cccnc2c1 34a_100011216045_100000748629 [0,0,0,0,0,0|1,0,2]=3 9 B16R2.477 C=C(C)COc1ccc2ccncc2c1 7a_100000752006_100000748629 [0,0,0,0,0,0|1,0,2]=3 10 B16R2.477 C=C(C)COc1ccc2cnccc2c1 34a_100000046372_100000748629 [0,0,0,0,0,0|1,0,2]=3 11 B16R2.477 C=C(C)COc1ccc2cnccc2c1 7a_100000046372_100000748629 [0,0,0,0,0,0|1,0,2]=3 12 B16R2.477 C=C(C)COc1ccc2ncccc2c1 34a_100011215586_100000748629 [0,0,0,0,0,0|1,0,2]=3 13 B16R2.477 C=C(C)COc1ccc2ncccc2c1 7a_100011215586_100000748629 [0,0,0,0,0,0|1,0,2]=3 14 B16R2.477 C=C(C)COc1ccc2nccnc2c1 34a_100000694412_100000748629 [0,0,0,0,0,0|2,0,2]=4 15 B16R2.477 C=C(C)COc1cnc2ccccc2c1 34a_100011934006_100000748629 [0,0,0,0,0,0|1,0,2]=3 16 B16R2.477 C=C(C)COc1cnc2ccccc2c1 7a_100011934006_100000748629 [0,0,0,0,0,0|1,0,2]=3 17 B16R2.477 C=C(C)CSc1cc2ccccc2cn1 62a_100000748629_100000047361 [0,0,0,0,0,0|1,1,2]=4 18 B16R2.477 C=C(C)CSc1cc2ccccc2cn1 62a_100009816522_100000211660 [0,0,0,0,0,0|1,1,2]=4 19 B16R2.477 C=C(C)CSc1ccc2ccccc2c1 62a_100000748629_100000233703 [0,0,0,0,0,0|0,1,2]=3 20 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100000748629_100011291633 [0,0,0,0,0,0|1,1,2]=4 21 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100011291633_100000211660 [0,0,0,0,0,0|1,1,2]=4 22 B16R2.477 C=C(C)CSc1ccc2cccnc2c1 62a_100000748629_100009816655 [0,0,0,0,0,0|1,1,2]=4 23 B16R2.477 C=C(C)CSc1ccc2ccncc2c1 62a_100000686496_100000211660 [0,0,0,0,0,0|1,1,2]=4 24 B16R2.477 C=C(C)CSc1ccc2ccncc2c1 62a_100000748629_100000686496 [0,0,0,0,0,0|1,1,2]=4 25 B16R2.477 C=C(C)CSc1ccc2cnccc2c1 62a_100000748629_100009816743 [0,0,0,0,0,0|1,1,2]=4 26 B16R2.477 C=C(C)CSc1ccc2cnccc2c1 62a_100009816743_100000211660 [0,0,0,0,0,0|1,1,2]=4 27 B16R2.477 C=C(C)CSc1ccc2ncccc2c1 62a_100000748629_100011215947 [0,0,0,0,0,0|1,1,2]=4 28 B16R2.477 C=C(C)CSc1ccc2ncccc2c1 62a_100011215947_100000211660 [0,0,0,0,0,0|1,1,2]=4 29 B16R2.477 C=C(C)CSc1cnc2ccccc2c1 62a_100000748629_100000737414 [0,0,0,0,0,0|1,1,2]=4 30 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 34a_100000211940_100009893438 [0,0,0,0,0,0|2,0,2]=4 31 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 7a_100000211940_100000042424 [0,0,0,0,0,0|2,0,2]=4 32 B16R2.477 C=C(F)COc1ccc2ccccc2c1 34a_100000185828_100009893438 [0,0,0,0,0,0|1,0,2]=3 33 B16R2.477 C=C(F)COc1ccc2ccccc2c1 7a_100000185828_100000042424 [0,0,0,0,0,0|1,0,2]=3 34 B16R2.477 C=C(F)COc1ccc2cccnc2c1 34a_100011216045_100009893438 [0,0,0,0,0,0|2,0,2]=4 35 B16R2.477 C=C(F)COc1ccc2ccncc2c1 7a_100000752006_100000042424 [0,0,0,0,0,0|2,0,2]=4 36 B16R2.477 C=C(F)COc1ccc2cnccc2c1 34a_100000046372_100009893438 [0,0,0,0,0,0|2,0,2]=4 37 B16R2.477 C=C(F)COc1ccc2cnccc2c1 7a_100000046372_100000042424 [0,0,0,0,0,0|2,0,2]=4 38 B16R2.477 C=C(F)COc1ccc2ncccc2c1 34a_100011215586_100009893438 [0,0,0,0,0,0|2,0,2]=4 39 B16R2.477 C=C(F)COc1ccc2ncccc2c1 7a_100011215586_100000042424 [0,0,0,0,0,0|2,0,2]=4 40 B16R2.477 C=C(F)COc1cnc2ccccc2c1 34a_100011934006_100009893438 [0,0,0,0,0,0|2,0,2]=4 41 B16R2.477 C=C(F)COc1cnc2ccccc2c1 7a_100011934006_100000042424 [0,0,0,0,0,0|2,0,2]=4 42 B16R2.477 C=C(F)CSc1ccc2ccccc2c1 62a_100000042424_100000233703 [0,0,0,0,0,0|1,1,2]=4 43 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,0,0,0,0,0|2,0,1]=3 44 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,0,0,0,0,0|1,0,1]=2 45 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [0,0,0,0,0,0|1,1,1]=3 46 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [0,0,0,0,0,0|3,0,1]=4 47 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [0,0,0,0,0,0|3,0,1]=4 48 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [0,0,0,0,0,0|3,0,1]=4 49 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [0,0,0,0,0,0|3,0,1]=4 50 B16R2.477 CC(=O)NNc1ccc2ccccc2c1 22a_100016987534_100000070787 [0,0,0,0,0,0|3,0,1]=4 51 B16R2.477 CC(C)C=Cc1cc2ccccc2cn1 271570a_100016257149_100000047361 [0,0,0,0,0,0|2,0,1]=3 52 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [0,0,0,0,0,0|1,0,1]=2 53 B16R2.477 CC(C)C=Cc1ccc2ccccc2n1 271570a_100016257149_100011291633 [0,0,0,0,0,0|2,0,1]=3 54 B16R2.477 CC(C)C=Cc1ccc2cccnc2c1 271570a_100016257149_100009816655 [0,0,0,0,0,0|2,0,1]=3 55 B16R2.477 CC(C)C=Cc1ccc2cccnc2n1 271570a_100016257149_100009888989 [0,0,0,0,0,0|3,0,1]=4 56 B16R2.477 CC(C)C=Cc1ccc2ccncc2c1 271570a_100016257149_100000686496 [0,0,0,0,0,0|2,0,1]=3 57 B16R2.477 CC(C)C=Cc1ccc2ccncc2n1 271570a_100016257149_100000020162 [0,0,0,0,0,0|3,0,1]=4 58 B16R2.477 CC(C)C=Cc1ccc2cnccc2c1 271570a_100016257149_100009816743 [0,0,0,0,0,0|2,0,1]=3 59 B16R2.477 CC(C)C=Cc1ccc2cncnc2c1 271570a_100016257149_100010185614 [0,0,0,0,0,0|3,0,1]=4 60 B16R2.477 CC(C)C=Cc1ccc2cnncc2c1 271570a_100016257149_100010198781 [0,0,0,0,0,0|3,0,1]=4 61 B16R2.477 CC(C)C=Cc1ccc2ncccc2c1 271570a_100016257149_100000754243 [0,0,0,0,0,0|2,0,1]=3 62 B16R2.477 CC(C)C=Cc1ccc2ncccc2n1 271570a_100016257149_100000073381 [0,0,0,0,0,0|3,0,1]=4 63 B16R2.477 CC(C)C=Cc1ccc2nccnc2c1 271570a_100016257149_100011219451 [0,0,0,0,0,0|3,0,1]=4 64 B16R2.477 CC(C)C=Cc1ccc2ncncc2c1 271570a_100016257149_100009989443 [0,0,0,0,0,0|3,0,1]=4 65 B16R2.477 CC(C)C=Cc1ccc2nnccc2c1 271570a_100016257149_100010209549 [0,0,0,0,0,0|3,0,1]=4 66 B16R2.477 CC(C)C=Cc1cnc2ccccc2c1 271570a_100016257149_100000737414 [0,0,0,0,0,0|2,0,1]=3 67 B16R2.477 CC(C)C=Cc1cnc2ccccc2n1 271570a_100016257149_100000756483 [0,0,0,0,0,0|3,0,1]=4 68 B16R2.477 CC(C)C=Cc1cnc2cccnc2c1 271570a_100016257149_100010246316 [0,0,0,0,0,0|3,0,1]=4 69 B16R2.477 CC(C)C=Cc1ncc2ccccc2n1 271570a_100016257149_100000097389 [0,0,0,0,0,0|3,0,1]=4 70 B16R2.477 CC(C)CNc1cc2nccnc2cn1 27a_100000210953_100000070204 [0,0,0,0,0,0|4,0,0]=4 71 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,0,0,0,0,0|1,0,0]=1 72 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,0,0,0,0,0|1,0,0]=1 73 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,0,0,0,0,0|2,0,0]=2 74 B16R2.477 CC(C)CNc1ccc2cccnc2c1 34a_100102887122_100000210624 [0,0,0,0,0,0|2,0,0]=2 75 B16R2.477 CC(C)CNc1ccc2cccnc2n1 27a_100000210953_100000075685 [0,0,0,0,0,0|3,0,0]=3 76 B16R2.477 CC(C)CNc1ccc2ccncc2n1 27a_100000210953_100000020162 [0,0,0,0,0,0|3,0,0]=3 77 B16R2.477 CC(C)CNc1ccc2cnccc2c1 34a_100000039641_100000210624 [0,0,0,0,0,0|2,0,0]=2 78 B16R2.477 CC(C)CNc1ccc2cncnc2c1 27a_100000210953_100010185614 [0,0,0,0,0,0|3,0,0]=3 79 B16R2.477 CC(C)CNc1ccc2ncccc2c1 34a_100011198106_100000210624 [0,0,0,0,0,0|2,0,0]=2 80 B16R2.477 CC(C)CNc1ccc2ncccc2n1 27a_100000210953_100000073381 [0,0,0,0,0,0|3,0,0]=3 81 B16R2.477 CC(C)CNc1ccc2nccnc2c1 27a_100000210953_100011219451 [0,0,0,0,0,0|3,0,0]=3 82 B16R2.477 CC(C)CNc1ccc2nccnc2c1 34a_100011219565_100000210624 [0,0,0,0,0,0|3,0,0]=3 83 B16R2.477 CC(C)CNc1ccc2nccnc2n1 27a_100000210953_100012351543 [0,0,0,0,0,0|4,0,0]=4 84 B16R2.477 CC(C)CNc1cnc2ccccc2n1 27a_100000210953_100000756483 [0,0,0,0,0,0|3,0,0]=3 85 B16R2.477 CC(C)CNc1cnc2cccnc2n1 27a_100000210953_200010275043 [0,0,0,0,0,0|4,0,0]=4 86 B16R2.477 CC(C)CNc1cnc2ncccc2n1 27a_100000210953_100000084304 [0,0,0,0,0,0|4,0,0]=4 87 B16R2.477 CC(C)CNc1cnc2nccnc2c1 27a_100000210953_100000753224 [0,0,0,0,0,0|4,0,0]=4 88 B16R2.477 CC(C)CNc1ncc2ccccc2n1 27a_100000210953_100000097389 [0,0,0,0,0,0|3,0,0]=3 89 B16R2.477 CC(C)CNc1ncc2cccnc2n1 27a_100000210953_100009875485 [0,0,0,0,0,0|4,0,0]=4 90 B16R2.477 CC(C)COC1CCc2ccccc2C1 34a_100011216300_100000210624 [0,0,0,0,0,0|0,0,4]=4 91 B16R2.477 CC(C)COC1CCc2ccccc2C1 7a_100011216300_100000210760 [0,0,0,0,0,0|0,0,4]=4 92 B16R2.477 CC(C)COC1Cc2ccccc2CO1 34a_200000095866_100000210624 [0,0,0,0,0,0|1,0,3]=4 93 B16R2.477 CC(C)COc1ccc2c(c1)CCCC2 34a_100000186212_100000210624 [0,0,0,0,0,0|0,0,4]=4 94 B16R2.477 CC(C)COc1ccc2c(c1)CCCC2 7a_100000186212_100000210760 [0,0,0,0,0,0|0,0,4]=4 95 B16R2.477 CC(C)COc1ccc2c(c1)CCCN2 34a_100000070867_100000210624 [0,0,0,0,0,0|1,0,3]=4 96 B16R2.477 CC(C)COc1ccc2c(c1)CCNC2 34a_100000077532_100000210624 [0,0,0,0,0,0|1,0,3]=4 97 B16R2.477 CC(C)COc1ccc2c(c1)CCOC2 34a_100009841951_100000210624 [0,0,0,0,0,0|1,0,3]=4 98 B16R2.477 CC(C)COc1ccc2c(c1)CCOC2 7a_100009841951_100000210760 [0,0,0,0,0,0|1,0,3]=4 99 B16R2.477 CC(C)COc1ccc2c(c1)CNCC2 34a_100015185785_100000210624 [0,0,0,0,0,0|1,0,3]=4 100 B16R2.477 CC(C)COc1ccc2c(c1)NCCC2 34a_106638131596_100000210624 [0,0,0,0,0,0|1,0,3]=4 101 B16R2.477 CC(C)COc1ccc2c(c1)NCCO2 34a_100020636358_100000210624 [0,0,0,0,0,0|2,0,2]=4 102 B16R2.477 CC(C)COc1ccc2c(c1)OCCO2 34a_100000234341_100000210624 [0,0,0,0,0,0|2,0,2]=4 103 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,0,0,0,0,0|0,0,0]=0 104 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,0,0,0,0,0|0,0,0]=0 105 B16R2.477 CC(C)COc1ccc2cccnc2c1 34a_100011216045_100000210624 [0,0,0,0,0,0|1,0,0]=1 106 B16R2.477 CC(C)COc1ccc2ccncc2c1 7a_100000752006_100000210760 [0,0,0,0,0,0|1,0,0]=1 107 B16R2.477 CC(C)COc1ccc2cnccc2c1 34a_100000046372_100000210624 [0,0,0,0,0,0|1,0,0]=1 108 B16R2.477 CC(C)COc1ccc2cnccc2c1 7a_100000046372_100000210760 [0,0,0,0,0,0|1,0,0]=1 109 B16R2.477 CC(C)COc1ccc2ncccc2c1 34a_100011215586_100000210624 [0,0,0,0,0,0|1,0,0]=1 110 B16R2.477 CC(C)COc1ccc2ncccc2c1 7a_100011215586_100000210760 [0,0,0,0,0,0|1,0,0]=1 111 B16R2.477 CC(C)COc1ccc2nccnc2c1 34a_100000694412_100000210624 [0,0,0,0,0,0|2,0,0]=2 112 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [0,0,0,0,0,0|1,0,0]=1 113 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [0,0,0,0,0,0|1,0,0]=1 114 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100000210624_100000047361 [0,0,0,0,0,0|1,1,0]=2 115 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100009816522_100000210760 [0,0,0,0,0,0|1,1,0]=2 116 B16R2.477 CC(C)CSc1cc2nccnc2cn1 62a_100000210624_100010370699 [0,0,0,0,0,0|3,1,0]=4 117 B16R2.477 CC(C)CSc1cc2nccnc2cn1 62a_100010370699_100000210760 [0,0,0,0,0,0|3,1,0]=4 118 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,0,0,0,0,0|0,1,0]=1 119 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [0,0,0,0,0,0|1,1,0]=2 120 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [0,0,0,0,0,0|1,1,0]=2 121 B16R2.477 CC(C)CSc1ccc2cccnc2c1 62a_100000210624_100009816655 [0,0,0,0,0,0|1,1,0]=2 122 B16R2.477 CC(C)CSc1ccc2cccnc2n1 62a_100000075685_100000210760 [0,0,0,0,0,0|2,1,0]=3 123 B16R2.477 CC(C)CSc1ccc2cccnc2n1 62a_100000210624_100000075685 [0,0,0,0,0,0|2,1,0]=3 124 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000210624_100000686496 [0,0,0,0,0,0|1,1,0]=2 125 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000686496_100000210760 [0,0,0,0,0,0|1,1,0]=2 126 B16R2.477 CC(C)CSc1ccc2ccncc2n1 62a_100000210624_100000020162 [0,0,0,0,0,0|2,1,0]=3 127 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100000210624_100009816743 [0,0,0,0,0,0|1,1,0]=2 128 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100009816743_100000210760 [0,0,0,0,0,0|1,1,0]=2 129 B16R2.477 CC(C)CSc1ccc2cncnc2c1 62a_100000210624_100010185614 [0,0,0,0,0,0|2,1,0]=3 130 B16R2.477 CC(C)CSc1ccc2cncnc2c1 62a_100010185614_100000210760 [0,0,0,0,0,0|2,1,0]=3 131 B16R2.477 CC(C)CSc1ccc2cnncc2c1 62a_100000210624_100010198781 [0,0,0,0,0,0|2,1,0]=3 132 B16R2.477 CC(C)CSc1ccc2cnncc2c1 62a_100010198781_100000210760 [0,0,0,0,0,0|2,1,0]=3 133 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100000210624_100011215947 [0,0,0,0,0,0|1,1,0]=2 134 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100011215947_100000210760 [0,0,0,0,0,0|1,1,0]=2 135 B16R2.477 CC(C)CSc1ccc2ncccc2n1 62a_100000210624_100000073381 [0,0,0,0,0,0|2,1,0]=3 136 B16R2.477 CC(C)CSc1ccc2nccnc2c1 62a_100000210624_100011219451 [0,0,0,0,0,0|2,1,0]=3 137 B16R2.477 CC(C)CSc1ccc2nccnc2c1 62a_100011219451_100000210760 [0,0,0,0,0,0|2,1,0]=3 138 B16R2.477 CC(C)CSc1ccc2nccnc2n1 62a_100000210624_100012351543 [0,0,0,0,0,0|3,1,0]=4 139 B16R2.477 CC(C)CSc1ccc2nccnc2n1 62a_100012351543_100000210760 [0,0,0,0,0,0|3,1,0]=4 140 B16R2.477 CC(C)CSc1ccc2ncncc2c1 62a_100000210624_100009989443 [0,0,0,0,0,0|2,1,0]=3 141 B16R2.477 CC(C)CSc1ccc2ncncc2c1 62a_100009989443_100000210760 [0,0,0,0,0,0|2,1,0]=3 142 B16R2.477 CC(C)CSc1ccc2nnccc2c1 62a_100000210624_100010209549 [0,0,0,0,0,0|2,1,0]=3 143 B16R2.477 CC(C)CSc1ccc2nnccc2c1 62a_100010209549_100000210760 [0,0,0,0,0,0|2,1,0]=3 144 B16R2.477 CC(C)CSc1cnc2ccccc2c1 62a_100000210624_100000737414 [0,0,0,0,0,0|1,1,0]=2 145 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000210624_100000756483 [0,0,0,0,0,0|2,1,0]=3 146 B16R2.477 CC(C)CSc1cnc2ccccc2n1 62a_100000756483_100000210760 [0,0,0,0,0,0|2,1,0]=3 147 B16R2.477 CC(C)CSc1cnc2cccnc2c1 62a_100000210624_100010246316 [0,0,0,0,0,0|2,1,0]=3 148 B16R2.477 CC(C)CSc1cnc2cccnc2c1 62a_100010246316_100000210760 [0,0,0,0,0,0|2,1,0]=3 149 B16R2.477 CC(C)CSc1cnc2cccnc2n1 62a_100000210624_200010275043 [0,0,0,0,0,0|3,1,0]=4 150 B16R2.477 CC(C)CSc1cnc2cccnc2n1 62a_200010275043_100000210760 [0,0,0,0,0,0|3,1,0]=4 151 B16R2.477 CC(C)CSc1cnc2ncccc2n1 62a_100000084304_100000210760 [0,0,0,0,0,0|3,1,0]=4 152 B16R2.477 CC(C)CSc1cnc2ncccc2n1 62a_100000210624_100000084304 [0,0,0,0,0,0|3,1,0]=4 153 B16R2.477 CC(C)CSc1cnc2nccnc2c1 62a_100000210624_100000753224 [0,0,0,0,0,0|3,1,0]=4 154 B16R2.477 CC(C)CSc1cnc2nccnc2c1 62a_100000753224_100000210760 [0,0,0,0,0,0|3,1,0]=4 155 B16R2.477 CC(C)CSc1ncc2ccccc2n1 62a_100000210624_100000097389 [0,0,0,0,0,0|2,1,0]=3 156 B16R2.477 CC(C)CSc1ncc2cccnc2n1 62a_100000210624_100009875485 [0,0,0,0,0,0|3,1,0]=4 157 B16R2.477 CC(C)CSc1ncc2cccnc2n1 62a_100009875485_100000210760 [0,0,0,0,0,0|3,1,0]=4 158 B16R2.477 CC(C)NCc1cc2ccccc2cn1 207a_100138425928_100000059776 [0,0,0,0,0,0|3,0,0]=3 159 B16R2.477 CC(C)NCc1cc2ccccc2cn1 2230a_100138425928_100009869231 [0,0,0,0,0,0|3,0,0]=3 160 B16R2.477 CC(C)NCc1cc2ccccc2cn1 34a_100138425928_100009869231 [0,0,0,0,0,0|3,0,0]=3 161 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [0,0,0,0,0,0|2,0,0]=2 162 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [0,0,0,0,0,0|2,0,0]=2 163 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [0,0,0,0,0,0|2,0,0]=2 164 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [0,0,0,0,0,0|2,0,0]=2 165 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [0,0,0,0,0,0|2,0,0]=2 166 B16R2.477 CC(C)NCc1ccc2ccccc2n1 207a_100138425928_100000759686 [0,0,0,0,0,0|3,0,0]=3 167 B16R2.477 CC(C)NCc1ccc2ccccc2n1 2230a_100138425928_100000737579 [0,0,0,0,0,0|3,0,0]=3 168 B16R2.477 CC(C)NCc1ccc2ccccc2n1 34a_100138425928_100000737579 [0,0,0,0,0,0|3,0,0]=3 169 B16R2.477 CC(C)NCc1ccc2cccnc2c1 207a_100138425928_100011784159 [0,0,0,0,0,0|3,0,0]=3 170 B16R2.477 CC(C)NCc1ccc2cnccc2c1 207a_100138425928_100000068276 [0,0,0,0,0,0|3,0,0]=3 171 B16R2.477 CC(C)NCc1ccc2cnccc2c1 2230a_100138425928_100020605334 [0,0,0,0,0,0|3,0,0]=3 172 B16R2.477 CC(C)NCc1ccc2cnccc2c1 34a_100138425928_100020605334 [0,0,0,0,0,0|3,0,0]=3 173 B16R2.477 CC(C)NCc1ccc2ncccc2c1 207a_100138425928_100000211315 [0,0,0,0,0,0|3,0,0]=3 174 B16R2.477 CC(C)NCc1ccc2ncccc2c1 2230a_100138425928_100000703657 [0,0,0,0,0,0|3,0,0]=3 175 B16R2.477 CC(C)NCc1ccc2ncccc2c1 34a_100000238500_100000210206 [0,0,0,0,0,0|3,0,0]=3 176 B16R2.477 CC(C)NCc1ccc2ncccc2c1 34a_100138425928_100000703657 [0,0,0,0,0,0|3,0,0]=3 177 B16R2.477 CC(C)NCc1ccc2nccnc2c1 2230a_100138425928_200011762199 [0,0,0,0,0,0|4,0,0]=4 178 B16R2.477 CC(C)NCc1cnc2ccccc2c1 207a_100138425928_100000750898 [0,0,0,0,0,0|3,0,0]=3 179 B16R2.477 CC(C)NCc1cnc2ccccc2c1 34a_100000742225_100000210206 [0,0,0,0,0,0|3,0,0]=3 180 B16R2.477 CC(C)NCc1ncc2ccccc2n1 34a_100138425928_100009868571 [0,0,0,0,0,0|4,0,0]=4 181 B16R2.477 CC(C)OCc1cc2ccccc2cn1 34a_100000212225_100009869231 [0,0,0,0,0,0|3,0,0]=3 182 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [0,0,0,0,0,0|2,0,0]=2 183 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [0,0,0,0,0,0|2,0,0]=2 184 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [0,0,0,0,0,0|2,0,0]=2 185 B16R2.477 CC(C)OCc1ccc2ccccc2n1 34a_100000212225_100000737579 [0,0,0,0,0,0|3,0,0]=3 186 B16R2.477 CC(C)OCc1ccc2cnccc2c1 34a_100000212225_100020605334 [0,0,0,0,0,0|3,0,0]=3 187 B16R2.477 CC(C)OCc1ccc2ncccc2c1 34a_100000212225_100000703657 [0,0,0,0,0,0|3,0,0]=3 188 B16R2.477 CC(C)OCc1ccc2ncccc2c1 34a_100011315636_100000210206 [0,0,0,0,0,0|3,0,0]=3 189 B16R2.477 CC(C)OCc1cnc2ccccc2c1 34a_100011258773_100000210206 [0,0,0,0,0,0|3,0,0]=3 190 B16R2.477 CC(C)OCc1ncc2ccccc2n1 34a_100000212225_100009868571 [0,0,0,0,0,0|4,0,0]=4 191 B16R2.477 CC(C)SCc1cc2ccccc2cn1 62a_100000210206_100009869231 [0,0,0,0,0,0|3,0,0]=3 192 B16R2.477 CC(C)SCc1cc2ccccc2cn1 62a_100009869231_100000210206 [0,0,0,0,0,0|3,0,0]=3 193 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [0,0,0,0,0,0|2,0,0]=2 194 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [0,0,0,0,0,0|2,0,0]=2 195 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000210206_100000737579 [0,0,0,0,0,0|3,0,0]=3 196 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000210206 [0,0,0,0,0,0|3,0,0]=3 197 B16R2.477 CC(C)SCc1ccc2cnccc2c1 62a_100000210206_100020605334 [0,0,0,0,0,0|3,0,0]=3 198 B16R2.477 CC(C)SCc1ccc2cnccc2c1 62a_100020605334_100000210206 [0,0,0,0,0,0|3,0,0]=3 199 B16R2.477 CC(C)SCc1ccc2ncccc2c1 62a_100000210206_100000703657 [0,0,0,0,0,0|3,0,0]=3 200 B16R2.477 CC(C)SCc1ccc2ncccc2c1 62a_100000703657_100000210206 [0,0,0,0,0,0|3,0,0]=3 201 B16R2.477 CC(C)SCc1ccc2nccnc2c1 62a_100000210206_200011762199 [0,0,0,0,0,0|4,0,0]=4 202 B16R2.477 CC(C)SCc1ccc2nccnc2c1 62a_200011762199_100000210206 [0,0,0,0,0,0|4,0,0]=4 203 B16R2.477 CC(C)SCc1cnc2ccccc2n1 62a_100000210206_200000751123 [0,0,0,0,0,0|4,0,0]=4 204 B16R2.477 CC(C)SCc1cnc2ccccc2n1 62a_200000751123_100000210206 [0,0,0,0,0,0|4,0,0]=4 205 B16R2.477 CC(C)SCc1ncc2ccccc2n1 62a_100000210206_100009868571 [0,0,0,0,0,0|4,0,0]=4 206 B16R2.477 CC(C)SCc1ncc2ccccc2n1 62a_100009868571_100000210206 [0,0,0,0,0,0|4,0,0]=4 207 B16R2.477 CC(O)C=Cc1cc2ccccc2cn1 271570a_200011019289_100000047361 [0,0,0,0,0,0|3,0,1]=4 208 B16R2.477 CC(O)C=Cc1ccc2ccccc2c1 271570a_200011019289_100000233703 [0,0,0,0,0,0|2,0,1]=3 209 B16R2.477 CC(O)C=Cc1ccc2ccccc2n1 271570a_200011019289_100011291633 [0,0,0,0,0,0|3,0,1]=4 210 B16R2.477 CC(O)C=Cc1ccc2cccnc2c1 271570a_200011019289_100009816655 [0,0,0,0,0,0|3,0,1]=4 211 B16R2.477 CC(O)C=Cc1ccc2ccncc2c1 271570a_200011019289_100000686496 [0,0,0,0,0,0|3,0,1]=4 212 B16R2.477 CC(O)C=Cc1ccc2cnccc2c1 271570a_200011019289_100009816743 [0,0,0,0,0,0|3,0,1]=4 213 B16R2.477 CC(O)C=Cc1ccc2ncccc2c1 271570a_200011019289_100000754243 [0,0,0,0,0,0|3,0,1]=4 214 B16R2.477 CC(O)C=Cc1cnc2ccccc2c1 271570a_200011019289_100000737414 [0,0,0,0,0,0|3,0,1]=4 215 B16R2.477 CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218427 [0,0,0,0,0,0|2,0,0]=2 216 B16R2.477 CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218427 [0,0,0,0,0,0|2,0,0]=2 217 B16R2.477 CC(O)CNc1ccc2ccccc2n1 27a_100000210904_100011291633 [0,0,0,0,0,0|3,0,0]=3 218 B16R2.477 CC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011218427 [0,0,0,0,0,0|3,0,0]=3 219 B16R2.477 CC(O)CNc1ccc2cccnc2n1 27a_100000210904_100000075685 [0,0,0,0,0,0|4,0,0]=4 220 B16R2.477 CC(O)CNc1ccc2ccncc2n1 27a_100000210904_100000020162 [0,0,0,0,0,0|4,0,0]=4 221 B16R2.477 CC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011218427 [0,0,0,0,0,0|3,0,0]=3 222 B16R2.477 CC(O)CNc1ccc2cncnc2c1 27a_100000210904_100010185614 [0,0,0,0,0,0|4,0,0]=4 223 B16R2.477 CC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011218427 [0,0,0,0,0,0|3,0,0]=3 224 B16R2.477 CC(O)CNc1ccc2ncccc2n1 27a_100000210904_100000073381 [0,0,0,0,0,0|4,0,0]=4 225 B16R2.477 CC(O)CNc1ccc2nccnc2c1 27a_100000210904_100011219451 [0,0,0,0,0,0|4,0,0]=4 226 B16R2.477 CC(O)CNc1ccc2nccnc2c1 34a_100011219565_100011218427 [0,0,0,0,0,0|4,0,0]=4 227 B16R2.477 CC(O)CNc1cnc2ccccc2n1 27a_100000210904_100000756483 [0,0,0,0,0,0|4,0,0]=4 228 B16R2.477 CC(O)CNc1ncc2ccccc2n1 27a_100000210904_100000097389 [0,0,0,0,0,0|4,0,0]=4 229 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,0,0,0,0,0|1,0,0]=1 230 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,0,0,0,0,0|1,0,0]=1 231 B16R2.477 CC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218427 [0,0,0,0,0,0|2,0,0]=2 232 B16R2.477 CC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218427 [0,0,0,0,0,0|2,0,0]=2 233 B16R2.477 CC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218427 [0,0,0,0,0,0|2,0,0]=2 234 B16R2.477 CC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218427 [0,0,0,0,0,0|2,0,0]=2 235 B16R2.477 CC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218427 [0,0,0,0,0,0|2,0,0]=2 236 B16R2.477 CC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218427 [0,0,0,0,0,0|2,0,0]=2 237 B16R2.477 CC(O)COc1ccc2nccnc2c1 34a_100000694412_100011218427 [0,0,0,0,0,0|3,0,0]=3 238 B16R2.477 CC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218427 [0,0,0,0,0,0|2,0,0]=2 239 B16R2.477 CC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218427 [0,0,0,0,0,0|2,0,0]=2 240 B16R2.477 CC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011218427 [0,0,0,0,0,0|2,1,0]=3 241 B16R2.477 CC(O)CSc1cc2ccccc2cn1 62a_100011218427_100000047361 [0,0,0,0,0,0|2,1,0]=3 242 B16R2.477 CC(O)CSc1ccc2ccccc2c1 62a_100011218427_100000233703 [0,0,0,0,0,0|1,1,0]=2 243 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011218427_100011291633 [0,0,0,0,0,0|2,1,0]=3 244 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218427 [0,0,0,0,0,0|2,1,0]=3 245 B16R2.477 CC(O)CSc1ccc2cccnc2c1 62a_100011218427_100009816655 [0,0,0,0,0,0|2,1,0]=3 246 B16R2.477 CC(O)CSc1ccc2cccnc2n1 62a_100000075685_100011218427 [0,0,0,0,0,0|3,1,0]=4 247 B16R2.477 CC(O)CSc1ccc2cccnc2n1 62a_100011218427_100000075685 [0,0,0,0,0,0|3,1,0]=4 248 B16R2.477 CC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011218427 [0,0,0,0,0,0|2,1,0]=3 249 B16R2.477 CC(O)CSc1ccc2ccncc2c1 62a_100011218427_100000686496 [0,0,0,0,0,0|2,1,0]=3 250 B16R2.477 CC(O)CSc1ccc2ccncc2n1 62a_100011218427_100000020162 [0,0,0,0,0,0|3,1,0]=4 251 B16R2.477 CC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011218427 [0,0,0,0,0,0|2,1,0]=3 252 B16R2.477 CC(O)CSc1ccc2cnccc2c1 62a_100011218427_100009816743 [0,0,0,0,0,0|2,1,0]=3 253 B16R2.477 CC(O)CSc1ccc2cncnc2c1 62a_100010185614_100011218427 [0,0,0,0,0,0|3,1,0]=4 254 B16R2.477 CC(O)CSc1ccc2cncnc2c1 62a_100011218427_100010185614 [0,0,0,0,0,0|3,1,0]=4 255 B16R2.477 CC(O)CSc1ccc2cnncc2c1 62a_100010198781_100011218427 [0,0,0,0,0,0|3,1,0]=4 256 B16R2.477 CC(O)CSc1ccc2cnncc2c1 62a_100011218427_100010198781 [0,0,0,0,0,0|3,1,0]=4 257 B16R2.477 CC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011218427 [0,0,0,0,0,0|2,1,0]=3 258 B16R2.477 CC(O)CSc1ccc2ncccc2c1 62a_100011218427_100011215947 [0,0,0,0,0,0|2,1,0]=3 259 B16R2.477 CC(O)CSc1ccc2ncccc2n1 62a_100011218427_100000073381 [0,0,0,0,0,0|3,1,0]=4 260 B16R2.477 CC(O)CSc1ccc2nccnc2c1 62a_100011218427_100011219451 [0,0,0,0,0,0|3,1,0]=4 261 B16R2.477 CC(O)CSc1ccc2nccnc2c1 62a_100011219451_100011218427 [0,0,0,0,0,0|3,1,0]=4 262 B16R2.477 CC(O)CSc1ccc2ncncc2c1 62a_100009989443_100011218427 [0,0,0,0,0,0|3,1,0]=4 263 B16R2.477 CC(O)CSc1ccc2ncncc2c1 62a_100011218427_100009989443 [0,0,0,0,0,0|3,1,0]=4 264 B16R2.477 CC(O)CSc1ccc2nnccc2c1 62a_100010209549_100011218427 [0,0,0,0,0,0|3,1,0]=4 265 B16R2.477 CC(O)CSc1ccc2nnccc2c1 62a_100011218427_100010209549 [0,0,0,0,0,0|3,1,0]=4 266 B16R2.477 CC(O)CSc1cnc2ccccc2c1 62a_100011218427_100000737414 [0,0,0,0,0,0|2,1,0]=3 267 B16R2.477 CC(O)CSc1cnc2ccccc2n1 62a_100000756483_100011218427 [0,0,0,0,0,0|3,1,0]=4 268 B16R2.477 CC(O)CSc1cnc2ccccc2n1 62a_100011218427_100000756483 [0,0,0,0,0,0|3,1,0]=4 269 B16R2.477 CC(O)CSc1cnc2cccnc2c1 62a_100010246316_100011218427 [0,0,0,0,0,0|3,1,0]=4 270 B16R2.477 CC(O)CSc1cnc2cccnc2c1 62a_100011218427_100010246316 [0,0,0,0,0,0|3,1,0]=4 271 B16R2.477 CC(O)CSc1ncc2ccccc2n1 62a_100011218427_100000097389 [0,0,0,0,0,0|3,1,0]=4 272 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009817552 [0,0,0,0,0,0|2,0,0]=2 273 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009817552 [0,0,0,0,0,0|2,0,0]=2 274 B16R2.477 C[C@@H](O)CNc1ccc2cccnc2c1 34a_100102887122_100009817552 [0,0,0,0,0,0|3,0,0]=3 275 B16R2.477 C[C@@H](O)CNc1ccc2cnccc2c1 34a_100000039641_100009817552 [0,0,0,0,0,0|3,0,0]=3 276 B16R2.477 C[C@@H](O)CNc1ccc2ncccc2c1 34a_100011198106_100009817552 [0,0,0,0,0,0|3,0,0]=3 277 B16R2.477 C[C@@H](O)CNc1ccc2nccnc2c1 34a_100011219565_100009817552 [0,0,0,0,0,0|4,0,0]=4 278 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,0,0,0,0,0|1,0,0]=1 279 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,0,0,0,0,0|1,0,0]=1 280 B16R2.477 C[C@@H](O)COc1ccc2cccnc2c1 34a_100011216045_100009817552 [0,0,0,0,0,0|2,0,0]=2 281 B16R2.477 C[C@@H](O)COc1ccc2ccncc2c1 7a_100000752006_100009817552 [0,0,0,0,0,0|2,0,0]=2 282 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 34a_100000046372_100009817552 [0,0,0,0,0,0|2,0,0]=2 283 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 7a_100000046372_100009817552 [0,0,0,0,0,0|2,0,0]=2 284 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 34a_100011215586_100009817552 [0,0,0,0,0,0|2,0,0]=2 285 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 7a_100011215586_100009817552 [0,0,0,0,0,0|2,0,0]=2 286 B16R2.477 C[C@@H](O)COc1ccc2nccnc2c1 34a_100000694412_100009817552 [0,0,0,0,0,0|3,0,0]=3 287 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 34a_100011934006_100009817552 [0,0,0,0,0,0|2,0,0]=2 288 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 7a_100011934006_100009817552 [0,0,0,0,0,0|2,0,0]=2 289 B16R2.477 C[C@@H](O)CSc1cc2ccccc2cn1 62a_100009816522_100009817552 [0,0,0,0,0,0|2,1,0]=3 290 B16R2.477 C[C@@H](O)CSc1cc2ccccc2cn1 62a_100009817552_100000047361 [0,0,0,0,0,0|2,1,0]=3 291 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2c1 62a_100009817552_100000233703 [0,0,0,0,0,0|1,1,0]=2 292 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100009817552_100011291633 [0,0,0,0,0,0|2,1,0]=3 293 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009817552 [0,0,0,0,0,0|2,1,0]=3 294 B16R2.477 C[C@@H](O)CSc1ccc2cccnc2c1 62a_100009817552_100009816655 [0,0,0,0,0,0|2,1,0]=3 295 B16R2.477 C[C@@H](O)CSc1ccc2cccnc2n1 62a_100000075685_100009817552 [0,0,0,0,0,0|3,1,0]=4 296 B16R2.477 C[C@@H](O)CSc1ccc2cccnc2n1 62a_100009817552_100000075685 [0,0,0,0,0,0|3,1,0]=4 297 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2c1 62a_100000686496_100009817552 [0,0,0,0,0,0|2,1,0]=3 298 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2c1 62a_100009817552_100000686496 [0,0,0,0,0,0|2,1,0]=3 299 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2n1 62a_100009817552_100000020162 [0,0,0,0,0,0|3,1,0]=4 300 B16R2.477 C[C@@H](O)CSc1ccc2cnccc2c1 62a_100009816743_100009817552 [0,0,0,0,0,0|2,1,0]=3 301 B16R2.477 C[C@@H](O)CSc1ccc2cnccc2c1 62a_100009817552_100009816743 [0,0,0,0,0,0|2,1,0]=3 302 B16R2.477 C[C@@H](O)CSc1ccc2cncnc2c1 62a_100009817552_100010185614 [0,0,0,0,0,0|3,1,0]=4 303 B16R2.477 C[C@@H](O)CSc1ccc2cncnc2c1 62a_100010185614_100009817552 [0,0,0,0,0,0|3,1,0]=4 304 B16R2.477 C[C@@H](O)CSc1ccc2cnncc2c1 62a_100009817552_100010198781 [0,0,0,0,0,0|3,1,0]=4 305 B16R2.477 C[C@@H](O)CSc1ccc2cnncc2c1 62a_100010198781_100009817552 [0,0,0,0,0,0|3,1,0]=4 306 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2c1 62a_100009817552_100011215947 [0,0,0,0,0,0|2,1,0]=3 307 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2c1 62a_100011215947_100009817552 [0,0,0,0,0,0|2,1,0]=3 308 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2n1 62a_100009817552_100000073381 [0,0,0,0,0,0|3,1,0]=4 309 B16R2.477 C[C@@H](O)CSc1ccc2nccnc2c1 62a_100009817552_100011219451 [0,0,0,0,0,0|3,1,0]=4 310 B16R2.477 C[C@@H](O)CSc1ccc2nccnc2c1 62a_100011219451_100009817552 [0,0,0,0,0,0|3,1,0]=4 311 B16R2.477 C[C@@H](O)CSc1ccc2ncncc2c1 62a_100009817552_100009989443 [0,0,0,0,0,0|3,1,0]=4 312 B16R2.477 C[C@@H](O)CSc1ccc2ncncc2c1 62a_100009989443_100009817552 [0,0,0,0,0,0|3,1,0]=4 313 B16R2.477 C[C@@H](O)CSc1ccc2nnccc2c1 62a_100009817552_100010209549 [0,0,0,0,0,0|3,1,0]=4 314 B16R2.477 C[C@@H](O)CSc1ccc2nnccc2c1 62a_100010209549_100009817552 [0,0,0,0,0,0|3,1,0]=4 315 B16R2.477 C[C@@H](O)CSc1cnc2ccccc2c1 62a_100009817552_100000737414 [0,0,0,0,0,0|2,1,0]=3 316 B16R2.477 C[C@@H](O)CSc1cnc2ccccc2n1 62a_100000756483_100009817552 [0,0,0,0,0,0|3,1,0]=4 317 B16R2.477 C[C@@H](O)CSc1cnc2ccccc2n1 62a_100009817552_100000756483 [0,0,0,0,0,0|3,1,0]=4 318 B16R2.477 C[C@@H](O)CSc1cnc2cccnc2c1 62a_100009817552_100010246316 [0,0,0,0,0,0|3,1,0]=4 319 B16R2.477 C[C@@H](O)CSc1cnc2cccnc2c1 62a_100010246316_100009817552 [0,0,0,0,0,0|3,1,0]=4 320 B16R2.477 C[C@@H](O)CSc1ncc2ccccc2n1 62a_100009817552_100000097389 [0,0,0,0,0,0|3,1,0]=4 321 B16R2.477 FC(F)CNc1ccc2ccccc2c1 34a_100000211940_100011934356 [0,0,0,0,0,0|3,0,0]=3 322 B16R2.477 FC(F)CNc1ccc2ccccc2c1 7a_100000211940_100011934356 [0,0,0,0,0,0|3,0,0]=3 323 B16R2.477 FC(F)CNc1ccc2ccccc2n1 27a_100000765723_100011291633 [0,0,0,0,0,0|4,0,0]=4 324 B16R2.477 FC(F)CNc1ccc2cccnc2c1 34a_100102887122_100011934356 [0,0,0,0,0,0|4,0,0]=4 325 B16R2.477 FC(F)CNc1ccc2cnccc2c1 34a_100000039641_100011934356 [0,0,0,0,0,0|4,0,0]=4 326 B16R2.477 FC(F)CNc1ccc2ncccc2c1 34a_100011198106_100011934356 [0,0,0,0,0,0|4,0,0]=4 327 B16R2.477 FC(F)COc1ccc2ccccc2c1 34a_100000185828_100011934356 [0,0,0,0,0,0|2,0,0]=2 328 B16R2.477 FC(F)COc1ccc2ccccc2c1 7a_100000185828_100011934356 [0,0,0,0,0,0|2,0,0]=2 329 B16R2.477 FC(F)COc1ccc2cccnc2c1 34a_100011216045_100011934356 [0,0,0,0,0,0|3,0,0]=3 330 B16R2.477 FC(F)COc1ccc2ccncc2c1 7a_100000752006_100011934356 [0,0,0,0,0,0|3,0,0]=3 331 B16R2.477 FC(F)COc1ccc2cnccc2c1 34a_100000046372_100011934356 [0,0,0,0,0,0|3,0,0]=3 332 B16R2.477 FC(F)COc1ccc2cnccc2c1 7a_100000046372_100011934356 [0,0,0,0,0,0|3,0,0]=3 333 B16R2.477 FC(F)COc1ccc2ncccc2c1 34a_100011215586_100011934356 [0,0,0,0,0,0|3,0,0]=3 334 B16R2.477 FC(F)COc1ccc2ncccc2c1 7a_100011215586_100011934356 [0,0,0,0,0,0|3,0,0]=3 335 B16R2.477 FC(F)COc1ccc2nccnc2c1 34a_100000694412_100011934356 [0,0,0,0,0,0|4,0,0]=4 336 B16R2.477 FC(F)COc1cnc2ccccc2c1 34a_100011934006_100011934356 [0,0,0,0,0,0|3,0,0]=3 337 B16R2.477 FC(F)COc1cnc2ccccc2c1 7a_100011934006_100011934356 [0,0,0,0,0,0|3,0,0]=3 338 B16R2.477 FC(F)CSc1cc2ccccc2cn1 62a_100009816522_100011934356 [0,0,0,0,0,0|3,1,0]=4 339 B16R2.477 FC(F)CSc1cc2ccccc2cn1 62a_100011934356_100000047361 [0,0,0,0,0,0|3,1,0]=4 340 B16R2.477 FC(F)CSc1ccc2ccccc2c1 62a_100011934356_100000233703 [0,0,0,0,0,0|2,1,0]=3 341 B16R2.477 FC(F)CSc1ccc2ccccc2n1 62a_100011291633_100011934356 [0,0,0,0,0,0|3,1,0]=4 342 B16R2.477 FC(F)CSc1ccc2ccccc2n1 62a_100011934356_100011291633 [0,0,0,0,0,0|3,1,0]=4 343 B16R2.477 FC(F)CSc1ccc2cccnc2c1 62a_100011934356_100009816655 [0,0,0,0,0,0|3,1,0]=4 344 B16R2.477 FC(F)CSc1ccc2ccncc2c1 62a_100000686496_100011934356 [0,0,0,0,0,0|3,1,0]=4 345 B16R2.477 FC(F)CSc1ccc2ccncc2c1 62a_100011934356_100000686496 [0,0,0,0,0,0|3,1,0]=4 346 B16R2.477 FC(F)CSc1ccc2cnccc2c1 62a_100009816743_100011934356 [0,0,0,0,0,0|3,1,0]=4 347 B16R2.477 FC(F)CSc1ccc2cnccc2c1 62a_100011934356_100009816743 [0,0,0,0,0,0|3,1,0]=4 348 B16R2.477 FC(F)CSc1ccc2ncccc2c1 62a_100011215947_100011934356 [0,0,0,0,0,0|3,1,0]=4 349 B16R2.477 FC(F)CSc1ccc2ncccc2c1 62a_100011934356_100011215947 [0,0,0,0,0,0|3,1,0]=4 350 B16R2.477 FC(F)CSc1cnc2ccccc2c1 62a_100011934356_100000737414 [0,0,0,0,0,0|3,1,0]=4 351 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000187820 [0,0,0,0,0,0|3,0,1]=4 352 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000187820 [0,0,0,0,0,0|3,0,1]=4 353 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,0,0,0,0,0|2,0,1]=3 354 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,0,0,0,0,0|2,0,1]=3 355 B16R2.477 NC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000187820 [0,0,0,0,0,0|3,0,1]=4 356 B16R2.477 NC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000187820 [0,0,0,0,0,0|3,0,1]=4 357 B16R2.477 NC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000187820 [0,0,0,0,0,0|3,0,1]=4 358 B16R2.477 NC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000187820 [0,0,0,0,0,0|3,0,1]=4 359 B16R2.477 NC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000187820 [0,0,0,0,0,0|3,0,1]=4 360 B16R2.477 NC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000187820 [0,0,0,0,0,0|3,0,1]=4 361 B16R2.477 NC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000187820 [0,0,0,0,0,0|3,0,1]=4 362 B16R2.477 NC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000187820 [0,0,0,0,0,0|3,0,1]=4 363 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 62a_100000747473_100000233703 [0,0,0,0,0,0|2,1,1]=4 364 B16R2.477 O=C([O-])CNc1ccc2ccccc2c1 34a_100000211940_100020667443 [0,0,0,0,0,0|3,0,1]=4 365 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,0,0,0,0,0|2,0,1]=3 366 B16R2.477 O=C([O-])COc1ccc2cccnc2c1 34a_100011216045_100020667443 [0,0,0,0,0,0|3,0,1]=4 367 B16R2.477 O=C([O-])COc1ccc2cnccc2c1 34a_100000046372_100020667443 [0,0,0,0,0,0|3,0,1]=4 368 B16R2.477 O=C([O-])COc1ccc2ncccc2c1 34a_100011215586_100020667443 [0,0,0,0,0,0|3,0,1]=4 369 B16R2.477 O=C([O-])COc1cnc2ccccc2c1 34a_100011934006_100020667443 [0,0,0,0,0,0|3,0,1]=4 370 B16R2.477 O=C([O-])CSc1ccc2ccccc2c1 62a_100020667443_100000233703 [0,0,0,0,0,0|2,1,1]=4 371 B16R2.477 O=[N+]([O-])CNc1ccc2ccccc2c1 34a_100000211940_100000761209 [0,0,0,0,0,0|4,0,0]=4 372 B16R2.477 O=[N+]([O-])COc1ccc2ccccc2c1 34a_100000185828_100000761209 [0,0,0,0,0,0|3,0,0]=3 373 B16R2.477 O=[N+]([O-])COc1ccc2cccnc2c1 34a_100011216045_100000761209 [0,0,0,0,0,0|4,0,0]=4 374 B16R2.477 O=[N+]([O-])COc1ccc2cnccc2c1 34a_100000046372_100000761209 [0,0,0,0,0,0|4,0,0]=4 375 B16R2.477 O=[N+]([O-])COc1ccc2ncccc2c1 34a_100011215586_100000761209 [0,0,0,0,0,0|4,0,0]=4 376 B16R2.477 O=[N+]([O-])COc1cnc2ccccc2c1 34a_100011934006_100000761209 [0,0,0,0,0,0|4,0,0]=4 377 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,0,0,0,0,0|2,0,1]=3 378 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,0,0,0,0,0|1,0,1]=2 379 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [0,0,0,0,0,0|1,1,1]=3 380 B15R2.352 C#CCNc1ccc2ccccc2c1 34a_100000211940_100000184674 [1,0,0,0,0,0|1,0,2]=4 381 B15R2.352 C#CCNc1ccc2ccccc2c1 7a_100000211940_100000038162 [1,0,0,0,0,0|1,0,2]=4 382 B15R2.352 C#CCOc1ccc2ccccc2c1 34a_100000185828_100000184674 [1,0,0,0,0,0|0,0,2]=3 383 B15R2.352 C#CCOc1ccc2ccccc2c1 7a_100000185828_100000038162 [1,0,0,0,0,0|0,0,2]=3 384 B15R2.352 C#CCOc1ccc2cccnc2c1 34a_100011216045_100000184674 [1,0,0,0,0,0|1,0,2]=4 385 B15R2.352 C#CCOc1ccc2ccncc2c1 7a_100000752006_100000038162 [1,0,0,0,0,0|1,0,2]=4 386 B15R2.352 C#CCOc1ccc2cnccc2c1 34a_100000046372_100000184674 [1,0,0,0,0,0|1,0,2]=4 387 B15R2.352 C#CCOc1ccc2cnccc2c1 7a_100000046372_100000038162 [1,0,0,0,0,0|1,0,2]=4 388 B15R2.352 C#CCOc1ccc2ncccc2c1 34a_100011215586_100000184674 [1,0,0,0,0,0|1,0,2]=4 389 B15R2.352 C#CCOc1ccc2ncccc2c1 7a_100011215586_100000038162 [1,0,0,0,0,0|1,0,2]=4 390 B15R2.352 C#CCOc1cnc2ccccc2c1 34a_100011934006_100000184674 [1,0,0,0,0,0|1,0,2]=4 391 B15R2.352 C#CCOc1cnc2ccccc2c1 7a_100011934006_100000038162 [1,0,0,0,0,0|1,0,2]=4 392 B15R2.352 C#CCSc1ccc2ccccc2c1 62a_100000038162_100000233703 [1,0,0,0,0,0|0,1,2]=4 393 B15R2.352 C=CCNc1ccc2ccccc2c1 34a_100000211940_100015514636 [1,0,0,0,0,0|1,0,2]=4 394 B15R2.352 C=CCNc1ccc2ccccc2c1 7a_100000211940_100015514636 [1,0,0,0,0,0|1,0,2]=4 395 B15R2.352 C=CCOc1ccc2ccccc2c1 34a_100000185828_100015514636 [1,0,0,0,0,0|0,0,2]=3 396 B15R2.352 C=CCOc1ccc2ccccc2c1 7a_100000185828_100015514636 [1,0,0,0,0,0|0,0,2]=3 397 B15R2.352 C=CCOc1ccc2cccnc2c1 34a_100011216045_100015514636 [1,0,0,0,0,0|1,0,2]=4 398 B15R2.352 C=CCOc1ccc2ccncc2c1 7a_100000752006_100015514636 [1,0,0,0,0,0|1,0,2]=4 399 B15R2.352 C=CCOc1ccc2cnccc2c1 34a_100000046372_100015514636 [1,0,0,0,0,0|1,0,2]=4 400 B15R2.352 C=CCOc1ccc2cnccc2c1 7a_100000046372_100015514636 [1,0,0,0,0,0|1,0,2]=4 401 B15R2.352 C=CCOc1ccc2ncccc2c1 34a_100011215586_100015514636 [1,0,0,0,0,0|1,0,2]=4 402 B15R2.352 C=CCOc1ccc2ncccc2c1 7a_100011215586_100015514636 [1,0,0,0,0,0|1,0,2]=4 403 B15R2.352 C=CCOc1cnc2ccccc2c1 34a_100011934006_100015514636 [1,0,0,0,0,0|1,0,2]=4 404 B15R2.352 C=CCOc1cnc2ccccc2c1 7a_100011934006_100015514636 [1,0,0,0,0,0|1,0,2]=4 405 B15R2.352 C=CCSc1ccc2ccccc2c1 62a_100000210623_100000233703 [1,0,0,0,0,0|0,1,2]=4 406 B15R2.352 CC=NNc1ccc2ccccc2c1 4a_100016987534_200000210099 [1,0,0,0,0,0|2,0,1]=4 407 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,0,0,0|2,0,0]=3 408 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,0,0,0|1,0,0]=2 409 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,0,0,0|2,0,0]=3 410 B15R2.352 CCCCc1ccc2cccnc2c1 271570a_100020621405_100009816655 [1,0,0,0,0,0|2,0,0]=3 411 B15R2.352 CCCCc1ccc2cccnc2n1 271570a_100020621405_100009888989 [1,0,0,0,0,0|3,0,0]=4 412 B15R2.352 CCCCc1ccc2ccncc2c1 271570a_100020621405_100000686496 [1,0,0,0,0,0|2,0,0]=3 413 B15R2.352 CCCCc1ccc2ccncc2n1 271570a_100020621405_100000020162 [1,0,0,0,0,0|3,0,0]=4 414 B15R2.352 CCCCc1ccc2cnccc2c1 271570a_100020621405_100009816743 [1,0,0,0,0,0|2,0,0]=3 415 B15R2.352 CCCCc1ccc2cncnc2c1 271570a_100020621405_100010185614 [1,0,0,0,0,0|3,0,0]=4 416 B15R2.352 CCCCc1ccc2cnncc2c1 271570a_100020621405_100010198781 [1,0,0,0,0,0|3,0,0]=4 417 B15R2.352 CCCCc1ccc2ncccc2c1 271570a_100020621405_100000754243 [1,0,0,0,0,0|2,0,0]=3 418 B15R2.352 CCCCc1ccc2ncccc2n1 271570a_100020621405_100000073381 [1,0,0,0,0,0|3,0,0]=4 419 B15R2.352 CCCCc1ccc2nccnc2c1 271570a_100020621405_100011219451 [1,0,0,0,0,0|3,0,0]=4 420 B15R2.352 CCCCc1ccc2ncncc2c1 271570a_100020621405_100009989443 [1,0,0,0,0,0|3,0,0]=4 421 B15R2.352 CCCCc1ccc2nnccc2c1 271570a_100020621405_100010209549 [1,0,0,0,0,0|3,0,0]=4 422 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [1,0,0,0,0,0|2,0,0]=3 423 B15R2.352 CCCCc1cnc2ccccc2n1 271570a_100020621405_100000756483 [1,0,0,0,0,0|3,0,0]=4 424 B15R2.352 CCCCc1cnc2cccnc2c1 271570a_100020621405_100010246316 [1,0,0,0,0,0|3,0,0]=4 425 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [1,0,0,0,0,0|3,0,0]=4 426 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,0,0,0,0|1,0,0]=2 427 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,0,0,0,0|1,0,0]=2 428 B15R2.352 CCCNc1ccc2cccnc2c1 34a_100102887122_100000210303 [1,0,0,0,0,0|2,0,0]=3 429 B15R2.352 CCCNc1ccc2cnccc2c1 34a_100000039641_100000210303 [1,0,0,0,0,0|2,0,0]=3 430 B15R2.352 CCCNc1ccc2ncccc2c1 34a_100011198106_100000210303 [1,0,0,0,0,0|2,0,0]=3 431 B15R2.352 CCCNc1ccc2nccnc2c1 34a_100011219565_100000210303 [1,0,0,0,0,0|3,0,0]=4 432 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,0,0,0,0|0,0,0]=1 433 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,0,0,0,0|0,0,0]=1 434 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [1,0,0,0,0,0|1,0,0]=2 435 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [1,0,0,0,0,0|1,0,0]=2 436 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [1,0,0,0,0,0|1,0,0]=2 437 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [1,0,0,0,0,0|1,0,0]=2 438 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [1,0,0,0,0,0|1,0,0]=2 439 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [1,0,0,0,0,0|1,0,0]=2 440 B15R2.352 CCCOc1ccc2nccnc2c1 34a_100000694412_100000210303 [1,0,0,0,0,0|2,0,0]=3 441 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [1,0,0,0,0,0|1,0,0]=2 442 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [1,0,0,0,0,0|1,0,0]=2 443 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100000210303_100000047361 [1,0,0,0,0,0|1,1,0]=3 444 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100009816522_100000210303 [1,0,0,0,0,0|1,1,0]=3 445 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,0,0,0,0|0,1,0]=2 446 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [1,0,0,0,0,0|1,1,0]=3 447 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [1,0,0,0,0,0|1,1,0]=3 448 B15R2.352 CCCSc1ccc2cccnc2c1 62a_100000210303_100009816655 [1,0,0,0,0,0|1,1,0]=3 449 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000075685_100000210303 [1,0,0,0,0,0|2,1,0]=4 450 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000210303_100000075685 [1,0,0,0,0,0|2,1,0]=4 451 B15R2.352 CCCSc1ccc2ccncc2c1 62a_100000210303_100000686496 [1,0,0,0,0,0|1,1,0]=3 452 B15R2.352 CCCSc1ccc2ccncc2c1 62a_100000686496_100000210303 [1,0,0,0,0,0|1,1,0]=3 453 B15R2.352 CCCSc1ccc2ccncc2n1 62a_100000210303_100000020162 [1,0,0,0,0,0|2,1,0]=4 454 B15R2.352 CCCSc1ccc2cnccc2c1 62a_100000210303_100009816743 [1,0,0,0,0,0|1,1,0]=3 455 B15R2.352 CCCSc1ccc2cnccc2c1 62a_100009816743_100000210303 [1,0,0,0,0,0|1,1,0]=3 456 B15R2.352 CCCSc1ccc2cncnc2c1 62a_100000210303_100010185614 [1,0,0,0,0,0|2,1,0]=4 457 B15R2.352 CCCSc1ccc2cncnc2c1 62a_100010185614_100000210303 [1,0,0,0,0,0|2,1,0]=4 458 B15R2.352 CCCSc1ccc2cnncc2c1 62a_100000210303_100010198781 [1,0,0,0,0,0|2,1,0]=4 459 B15R2.352 CCCSc1ccc2cnncc2c1 62a_100010198781_100000210303 [1,0,0,0,0,0|2,1,0]=4 460 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100000210303_100011215947 [1,0,0,0,0,0|1,1,0]=3 461 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100011215947_100000210303 [1,0,0,0,0,0|1,1,0]=3 462 B15R2.352 CCCSc1ccc2ncccc2n1 62a_100000210303_100000073381 [1,0,0,0,0,0|2,1,0]=4 463 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100000210303_100011219451 [1,0,0,0,0,0|2,1,0]=4 464 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100011219451_100000210303 [1,0,0,0,0,0|2,1,0]=4 465 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100000210303_100009989443 [1,0,0,0,0,0|2,1,0]=4 466 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100009989443_100000210303 [1,0,0,0,0,0|2,1,0]=4 467 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100000210303_100010209549 [1,0,0,0,0,0|2,1,0]=4 468 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100010209549_100000210303 [1,0,0,0,0,0|2,1,0]=4 469 B15R2.352 CCCSc1cnc2ccccc2c1 62a_100000210303_100000737414 [1,0,0,0,0,0|1,1,0]=3 470 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000210303_100000756483 [1,0,0,0,0,0|2,1,0]=4 471 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000756483_100000210303 [1,0,0,0,0,0|2,1,0]=4 472 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100000210303_100010246316 [1,0,0,0,0,0|2,1,0]=4 473 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100010246316_100000210303 [1,0,0,0,0,0|2,1,0]=4 474 B15R2.352 CCCSc1ncc2ccccc2n1 62a_100000210303_100000097389 [1,0,0,0,0,0|2,1,0]=4 475 B15R2.352 CCNCc1cc2ccccc2cn1 207a_100015525214_100000059776 [1,0,0,0,0,0|3,0,0]=4 476 B15R2.352 CCNCc1cc2ccccc2cn1 2230a_100015525214_100009869231 [1,0,0,0,0,0|3,0,0]=4 477 B15R2.352 CCNCc1cc2ccccc2cn1 270004a_100015525214_100000059776 [1,0,0,0,0,0|3,0,0]=4 478 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [1,0,0,0,0,0|2,0,0]=3 479 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [1,0,0,0,0,0|2,0,0]=3 480 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [1,0,0,0,0,0|2,0,0]=3 481 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [1,0,0,0,0,0|2,0,0]=3 482 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [1,0,0,0,0,0|2,0,0]=3 483 B15R2.352 CCNCc1ccc2ccccc2n1 207a_100015525214_100000759686 [1,0,0,0,0,0|3,0,0]=4 484 B15R2.352 CCNCc1ccc2ccccc2n1 2230a_100015525214_100000737579 [1,0,0,0,0,0|3,0,0]=4 485 B15R2.352 CCNCc1ccc2ccccc2n1 270004a_100015525214_100000759686 [1,0,0,0,0,0|3,0,0]=4 486 B15R2.352 CCNCc1ccc2cccnc2c1 207a_100015525214_100011784159 [1,0,0,0,0,0|3,0,0]=4 487 B15R2.352 CCNCc1ccc2cccnc2c1 270004a_100015525214_100011784159 [1,0,0,0,0,0|3,0,0]=4 488 B15R2.352 CCNCc1ccc2cnccc2c1 207a_100015525214_100000068276 [1,0,0,0,0,0|3,0,0]=4 489 B15R2.352 CCNCc1ccc2cnccc2c1 2230a_100015525214_100020605334 [1,0,0,0,0,0|3,0,0]=4 490 B15R2.352 CCNCc1ccc2cnccc2c1 270004a_100015525214_100000068276 [1,0,0,0,0,0|3,0,0]=4 491 B15R2.352 CCNCc1ccc2ncccc2c1 207a_100015525214_100000211315 [1,0,0,0,0,0|3,0,0]=4 492 B15R2.352 CCNCc1ccc2ncccc2c1 2230a_100015525214_100000703657 [1,0,0,0,0,0|3,0,0]=4 493 B15R2.352 CCNCc1ccc2ncccc2c1 270004a_100015525214_100000211315 [1,0,0,0,0,0|3,0,0]=4 494 B15R2.352 CCNCc1ccc2ncccc2c1 34a_100000238500_100000210202 [1,0,0,0,0,0|3,0,0]=4 495 B15R2.352 CCNCc1cnc2ccccc2c1 207a_100015525214_100000750898 [1,0,0,0,0,0|3,0,0]=4 496 B15R2.352 CCNCc1cnc2ccccc2c1 270004a_100015525214_100000750898 [1,0,0,0,0,0|3,0,0]=4 497 B15R2.352 CCNCc1cnc2ccccc2c1 34a_100000742225_100000210202 [1,0,0,0,0,0|3,0,0]=4 498 B15R2.352 CCOCc1cc2ccccc2cn1 34a_100121572206_100009869231 [1,0,0,0,0,0|3,0,0]=4 499 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [1,0,0,0,0,0|2,0,0]=3 500 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [1,0,0,0,0,0|2,0,0]=3 501 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [1,0,0,0,0,0|2,0,0]=3 502 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [1,0,0,0,0,0|3,0,0]=4 503 B15R2.352 CCOCc1ccc2cnccc2c1 34a_100121572206_100020605334 [1,0,0,0,0,0|3,0,0]=4 504 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100011315636_100000210202 [1,0,0,0,0,0|3,0,0]=4 505 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100121572206_100000703657 [1,0,0,0,0,0|3,0,0]=4 506 B15R2.352 CCOCc1cnc2ccccc2c1 34a_100011258773_100000210202 [1,0,0,0,0,0|3,0,0]=4 507 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100000210202_100009869231 [1,0,0,0,0,0|3,0,0]=4 508 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100009869231_100000210202 [1,0,0,0,0,0|3,0,0]=4 509 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [1,0,0,0,0,0|2,0,0]=3 510 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [1,0,0,0,0,0|2,0,0]=3 511 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000210202_100000737579 [1,0,0,0,0,0|3,0,0]=4 512 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000737579_100000210202 [1,0,0,0,0,0|3,0,0]=4 513 B15R2.352 CCSCc1ccc2cnccc2c1 62a_100000210202_100020605334 [1,0,0,0,0,0|3,0,0]=4 514 B15R2.352 CCSCc1ccc2cnccc2c1 62a_100020605334_100000210202 [1,0,0,0,0,0|3,0,0]=4 515 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000210202_100000703657 [1,0,0,0,0,0|3,0,0]=4 516 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000703657_100000210202 [1,0,0,0,0,0|3,0,0]=4 517 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [1,0,0,0,0,0|2,0,0]=3 518 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [1,0,0,0,0,0|2,0,0]=3 519 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [1,0,0,0,0,0|2,0,0]=3 520 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [1,0,0,0,0,0|2,0,0]=3 521 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [1,0,0,0,0,0|3,0,0]=4 522 B15R2.352 COCSc1cc2ccccc2cn1 62a_100000766300_100000047361 [1,0,0,0,0,0|2,1,0]=4 523 B15R2.352 COCSc1cc2ccccc2cn1 62a_100009816522_100000766300 [1,0,0,0,0,0|2,1,0]=4 524 B15R2.352 COCSc1ccc2ccccc2c1 62a_100000766300_100000233703 [1,0,0,0,0,0|1,1,0]=3 525 B15R2.352 COCSc1ccc2ccccc2n1 62a_100000766300_100011291633 [1,0,0,0,0,0|2,1,0]=4 526 B15R2.352 COCSc1ccc2ccccc2n1 62a_100011291633_100000766300 [1,0,0,0,0,0|2,1,0]=4 527 B15R2.352 COCSc1ccc2cccnc2c1 62a_100000766300_100009816655 [1,0,0,0,0,0|2,1,0]=4 528 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000686496_100000766300 [1,0,0,0,0,0|2,1,0]=4 529 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000766300_100000686496 [1,0,0,0,0,0|2,1,0]=4 530 B15R2.352 COCSc1ccc2cnccc2c1 62a_100000766300_100009816743 [1,0,0,0,0,0|2,1,0]=4 531 B15R2.352 COCSc1ccc2cnccc2c1 62a_100009816743_100000766300 [1,0,0,0,0,0|2,1,0]=4 532 B15R2.352 COCSc1ccc2ncccc2c1 62a_100000766300_100011215947 [1,0,0,0,0,0|2,1,0]=4 533 B15R2.352 COCSc1ccc2ncccc2c1 62a_100011215947_100000766300 [1,0,0,0,0,0|2,1,0]=4 534 B15R2.352 COCSc1cnc2ccccc2c1 62a_100000766300_100000737414 [1,0,0,0,0,0|2,1,0]=4 535 B15R2.352 CSCNc1ccc2ccccc2c1 34a_100000211940_100011218213 [1,0,0,0,0,0|2,0,0]=3 536 B15R2.352 CSCNc1ccc2cccnc2c1 34a_100102887122_100011218213 [1,0,0,0,0,0|3,0,0]=4 537 B15R2.352 CSCNc1ccc2cnccc2c1 34a_100000039641_100011218213 [1,0,0,0,0,0|3,0,0]=4 538 B15R2.352 CSCNc1ccc2ncccc2c1 34a_100011198106_100011218213 [1,0,0,0,0,0|3,0,0]=4 539 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [1,0,0,0,0,0|1,0,0]=2 540 B15R2.352 CSCOc1ccc2cccnc2c1 34a_100011216045_100011218213 [1,0,0,0,0,0|2,0,0]=3 541 B15R2.352 CSCOc1ccc2cnccc2c1 34a_100000046372_100011218213 [1,0,0,0,0,0|2,0,0]=3 542 B15R2.352 CSCOc1ccc2ncccc2c1 34a_100011215586_100011218213 [1,0,0,0,0,0|2,0,0]=3 543 B15R2.352 CSCOc1ccc2nccnc2c1 34a_100000694412_100011218213 [1,0,0,0,0,0|3,0,0]=4 544 B15R2.352 CSCOc1cnc2ccccc2c1 34a_100011934006_100011218213 [1,0,0,0,0,0|2,0,0]=3 545 B15R2.352 CSCSc1cc2ccccc2cn1 62a_100009816522_100011218213 [1,0,0,0,0,0|2,1,0]=4 546 B15R2.352 CSCSc1cc2ccccc2cn1 62a_100011218213_100000047361 [1,0,0,0,0,0|2,1,0]=4 547 B15R2.352 CSCSc1ccc2ccccc2c1 62a_100011218213_100000233703 [1,0,0,0,0,0|1,1,0]=3 548 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011218213_100011291633 [1,0,0,0,0,0|2,1,0]=4 549 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011291633_100011218213 [1,0,0,0,0,0|2,1,0]=4 550 B15R2.352 CSCSc1ccc2cccnc2c1 62a_100011218213_100009816655 [1,0,0,0,0,0|2,1,0]=4 551 B15R2.352 CSCSc1ccc2ccncc2c1 62a_100000686496_100011218213 [1,0,0,0,0,0|2,1,0]=4 552 B15R2.352 CSCSc1ccc2ccncc2c1 62a_100011218213_100000686496 [1,0,0,0,0,0|2,1,0]=4 553 B15R2.352 CSCSc1ccc2cnccc2c1 62a_100009816743_100011218213 [1,0,0,0,0,0|2,1,0]=4 554 B15R2.352 CSCSc1ccc2cnccc2c1 62a_100011218213_100009816743 [1,0,0,0,0,0|2,1,0]=4 555 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011215947_100011218213 [1,0,0,0,0,0|2,1,0]=4 556 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011218213_100011215947 [1,0,0,0,0,0|2,1,0]=4 557 B15R2.352 CSCSc1cnc2ccccc2c1 62a_100011218213_100000737414 [1,0,0,0,0,0|2,1,0]=4 558 B15R2.352 FCCNc1ccc2ccccc2c1 34a_100000211940_100011217306 [1,0,0,0,0,0|2,0,0]=3 559 B15R2.352 FCCNc1ccc2ccccc2c1 7a_100000211940_100011217306 [1,0,0,0,0,0|2,0,0]=3 560 B15R2.352 FCCNc1ccc2cccnc2c1 34a_100102887122_100011217306 [1,0,0,0,0,0|3,0,0]=4 561 B15R2.352 FCCNc1ccc2cnccc2c1 34a_100000039641_100011217306 [1,0,0,0,0,0|3,0,0]=4 562 B15R2.352 FCCNc1ccc2ncccc2c1 34a_100011198106_100011217306 [1,0,0,0,0,0|3,0,0]=4 563 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [1,0,0,0,0,0|1,0,0]=2 564 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [1,0,0,0,0,0|1,0,0]=2 565 B15R2.352 FCCOc1ccc2cccnc2c1 34a_100011216045_100011217306 [1,0,0,0,0,0|2,0,0]=3 566 B15R2.352 FCCOc1ccc2ccncc2c1 7a_100000752006_100011217306 [1,0,0,0,0,0|2,0,0]=3 567 B15R2.352 FCCOc1ccc2cnccc2c1 34a_100000046372_100011217306 [1,0,0,0,0,0|2,0,0]=3 568 B15R2.352 FCCOc1ccc2cnccc2c1 7a_100000046372_100011217306 [1,0,0,0,0,0|2,0,0]=3 569 B15R2.352 FCCOc1ccc2ncccc2c1 34a_100011215586_100011217306 [1,0,0,0,0,0|2,0,0]=3 570 B15R2.352 FCCOc1ccc2ncccc2c1 7a_100011215586_100011217306 [1,0,0,0,0,0|2,0,0]=3 571 B15R2.352 FCCOc1ccc2nccnc2c1 34a_100000694412_100011217306 [1,0,0,0,0,0|3,0,0]=4 572 B15R2.352 FCCOc1cnc2ccccc2c1 34a_100011934006_100011217306 [1,0,0,0,0,0|2,0,0]=3 573 B15R2.352 FCCOc1cnc2ccccc2c1 7a_100011934006_100011217306 [1,0,0,0,0,0|2,0,0]=3 574 B15R2.352 FCCSc1cc2ccccc2cn1 62a_100009816522_100011217306 [1,0,0,0,0,0|2,1,0]=4 575 B15R2.352 FCCSc1cc2ccccc2cn1 62a_100011217306_100000047361 [1,0,0,0,0,0|2,1,0]=4 576 B15R2.352 FCCSc1ccc2ccccc2c1 62a_100011217306_100000233703 [1,0,0,0,0,0|1,1,0]=3 577 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011217306_100011291633 [1,0,0,0,0,0|2,1,0]=4 578 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011291633_100011217306 [1,0,0,0,0,0|2,1,0]=4 579 B15R2.352 FCCSc1ccc2cccnc2c1 62a_100011217306_100009816655 [1,0,0,0,0,0|2,1,0]=4 580 B15R2.352 FCCSc1ccc2ccncc2c1 62a_100000686496_100011217306 [1,0,0,0,0,0|2,1,0]=4 581 B15R2.352 FCCSc1ccc2ccncc2c1 62a_100011217306_100000686496 [1,0,0,0,0,0|2,1,0]=4 582 B15R2.352 FCCSc1ccc2cnccc2c1 62a_100009816743_100011217306 [1,0,0,0,0,0|2,1,0]=4 583 B15R2.352 FCCSc1ccc2cnccc2c1 62a_100011217306_100009816743 [1,0,0,0,0,0|2,1,0]=4 584 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011215947_100011217306 [1,0,0,0,0,0|2,1,0]=4 585 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011217306_100011215947 [1,0,0,0,0,0|2,1,0]=4 586 B15R2.352 FCCSc1cnc2ccccc2c1 62a_100011217306_100000737414 [1,0,0,0,0,0|2,1,0]=4 587 B15R2.352 FCNCc1ccc2ccccc2c1 34a_100000739491_100015361967 [1,0,0,0,0,0|3,0,0]=4 588 B15R2.352 FCOCc1ccc2ccccc2c1 34a_100011215330_100015361967 [1,0,0,0,0,0|3,0,0]=4 589 B15R2.352 FCOCc1ccc2ccccc2c1 7a_100011215330_100015361967 [1,0,0,0,0,0|3,0,0]=4 590 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100011216711_100015361967 [1,0,0,0,0,0|3,0,0]=4 591 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100015361967_100011216711 [1,0,0,0,0,0|3,0,0]=4 592 B15R2.352 N#CCNc1ccc2ccccc2c1 7a_100000211940_100011215382 [1,0,0,0,0,0|2,0,1]=4 593 B15R2.352 N#CCOc1ccc2ccccc2c1 7a_100000185828_100011215382 [1,0,0,0,0,0|1,0,1]=3 594 B15R2.352 N#CCOc1ccc2ccncc2c1 7a_100000752006_100011215382 [1,0,0,0,0,0|2,0,1]=4 595 B15R2.352 N#CCOc1ccc2cnccc2c1 7a_100000046372_100011215382 [1,0,0,0,0,0|2,0,1]=4 596 B15R2.352 N#CCOc1ccc2ncccc2c1 7a_100011215586_100011215382 [1,0,0,0,0,0|2,0,1]=4 597 B15R2.352 N#CCOc1cnc2ccccc2c1 7a_100011934006_100011215382 [1,0,0,0,0,0|2,0,1]=4 598 B15R2.352 N#CCSc1ccc2ccccc2c1 62a_100011215382_100000233703 [1,0,0,0,0,0|1,1,1]=4 599 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [1,0,0,0,0,0|2,0,1]=4 600 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [1,0,0,0,0,0|2,0,1]=4 601 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [1,0,0,0,0,0|1,0,1]=3 602 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [1,0,0,0,0,0|1,0,1]=3 603 B15R2.352 O=CCOc1ccc2cccnc2c1 34a_100011216045_200009817547 [1,0,0,0,0,0|2,0,1]=4 604 B15R2.352 O=CCOc1ccc2ccncc2c1 7a_100000752006_200015260668 [1,0,0,0,0,0|2,0,1]=4 605 B15R2.352 O=CCOc1ccc2cnccc2c1 34a_100000046372_200009817547 [1,0,0,0,0,0|2,0,1]=4 606 B15R2.352 O=CCOc1ccc2cnccc2c1 7a_100000046372_200015260668 [1,0,0,0,0,0|2,0,1]=4 607 B15R2.352 O=CCOc1ccc2ncccc2c1 34a_100011215586_200009817547 [1,0,0,0,0,0|2,0,1]=4 608 B15R2.352 O=CCOc1ccc2ncccc2c1 7a_100011215586_200015260668 [1,0,0,0,0,0|2,0,1]=4 609 B15R2.352 O=CCOc1cnc2ccccc2c1 34a_100011934006_200009817547 [1,0,0,0,0,0|2,0,1]=4 610 B15R2.352 O=CCOc1cnc2ccccc2c1 7a_100011934006_200015260668 [1,0,0,0,0,0|2,0,1]=4 611 B15R2.352 O=CCSc1ccc2ccccc2c1 62a_200015260668_100000233703 [1,0,0,0,0,0|1,1,1]=4 612 B15R2.352 OCCNc1ccc2ccccc2c1 34a_100000211940_100000211926 [1,0,0,0,0,0|2,0,0]=3 613 B15R2.352 OCCNc1ccc2ccccc2c1 7a_100000211940_100000211926 [1,0,0,0,0,0|2,0,0]=3 614 B15R2.352 OCCNc1ccc2ccccc2n1 27a_100000210304_100011291633 [1,0,0,0,0,0|3,0,0]=4 615 B15R2.352 OCCNc1ccc2cccnc2c1 34a_100102887122_100000211926 [1,0,0,0,0,0|3,0,0]=4 616 B15R2.352 OCCNc1ccc2cnccc2c1 34a_100000039641_100000211926 [1,0,0,0,0,0|3,0,0]=4 617 B15R2.352 OCCNc1ccc2ncccc2c1 34a_100011198106_100000211926 [1,0,0,0,0,0|3,0,0]=4 618 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [1,0,0,0,0,0|1,0,0]=2 619 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [1,0,0,0,0,0|1,0,0]=2 620 B15R2.352 OCCOc1ccc2cccnc2c1 34a_100011216045_100000211926 [1,0,0,0,0,0|2,0,0]=3 621 B15R2.352 OCCOc1ccc2ccncc2c1 7a_100000752006_100000211926 [1,0,0,0,0,0|2,0,0]=3 622 B15R2.352 OCCOc1ccc2cnccc2c1 34a_100000046372_100000211926 [1,0,0,0,0,0|2,0,0]=3 623 B15R2.352 OCCOc1ccc2cnccc2c1 7a_100000046372_100000211926 [1,0,0,0,0,0|2,0,0]=3 624 B15R2.352 OCCOc1ccc2ncccc2c1 34a_100011215586_100000211926 [1,0,0,0,0,0|2,0,0]=3 625 B15R2.352 OCCOc1ccc2ncccc2c1 7a_100011215586_100000211926 [1,0,0,0,0,0|2,0,0]=3 626 B15R2.352 OCCOc1ccc2nccnc2c1 34a_100000694412_100000211926 [1,0,0,0,0,0|3,0,0]=4 627 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [1,0,0,0,0,0|2,0,0]=3 628 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [1,0,0,0,0,0|2,0,0]=3 629 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100000211926_100000047361 [1,0,0,0,0,0|2,1,0]=4 630 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100009816522_100000211926 [1,0,0,0,0,0|2,1,0]=4 631 B15R2.352 OCCSc1ccc2ccccc2c1 62a_100000211926_100000233703 [1,0,0,0,0,0|1,1,0]=3 632 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100000211926_100011291633 [1,0,0,0,0,0|2,1,0]=4 633 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100011291633_100000211926 [1,0,0,0,0,0|2,1,0]=4 634 B15R2.352 OCCSc1ccc2cccnc2c1 62a_100000211926_100009816655 [1,0,0,0,0,0|2,1,0]=4 635 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000211926_100000686496 [1,0,0,0,0,0|2,1,0]=4 636 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000686496_100000211926 [1,0,0,0,0,0|2,1,0]=4 637 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100000211926_100009816743 [1,0,0,0,0,0|2,1,0]=4 638 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100009816743_100000211926 [1,0,0,0,0,0|2,1,0]=4 639 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100000211926_100011215947 [1,0,0,0,0,0|2,1,0]=4 640 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100011215947_100000211926 [1,0,0,0,0,0|2,1,0]=4 641 B15R2.352 OCCSc1cnc2ccccc2c1 62a_100000211926_100000737414 [1,0,0,0,0,0|2,1,0]=4 642 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [1,0,0,0,0,0|2,0,0]=3 643 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [1,0,0,0,0,0|2,0,0]=3 644 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [1,0,0,0,0,0|2,0,0]=3 645 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [1,0,0,0,0,0|2,0,0]=3 646 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [1,0,0,0,0,0|3,0,0]=4 647 B17R2.556 C#CC(C)NCc1ccc2ccccc2c1 2230a_100000707721_100011216711 [0,1,0,0,0,0|2,0,1]=4 648 B17R2.556 C#CC(C)NCc1ccc2ccccc2c1 270004a_100000707721_100000211584 [0,1,0,0,0,0|2,0,1]=4 649 B17R2.556 C#CC(C)NCc1ccc2ccccc2c1 34a_100000707721_100011216711 [0,1,0,0,0,0|2,0,1]=4 650 B17R2.556 C#CC(C)NCc1ccc2ccccc2c1 34a_100000739491_200000035995 [0,1,0,0,0,0|2,0,1]=4 651 B17R2.556 C#CC(C)OCc1ccc2ccccc2c1 34a_100011215330_200000035995 [0,1,0,0,0,0|2,0,1]=4 652 B17R2.556 C#CC(C)SCc1ccc2ccccc2c1 62a_200000035995_100011216711 [0,1,0,0,0,0|2,0,1]=4 653 B17R2.556 C#C[C@@H](C)OCc1ccc2ccccc2c1 34a_100009815206_100011216711 [0,1,0,0,0,0|2,0,1]=4 654 B17R2.556 C#C[C@@H](C)OCc1ccc2ccccc2c1 7a_100009815206_100011216711 [0,1,0,0,0,0|2,0,1]=4 655 B17R2.556 C=C(C#N)COc1ccc2ccccc2c1 34a_100000185828_100000694840 [0,1,0,0,0,0|0,0,3]=4 656 B17R2.556 C=CC(C)OCc1ccc2ccccc2c1 34a_100000695699_100011216711 [0,1,0,0,0,0|2,0,1]=4 657 B17R2.556 C=CC(C)SCc1ccc2ccccc2c1 62a_100011215867_100011216711 [0,1,0,0,0,0|2,0,1]=4 658 B17R2.556 C=CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100000730141 [0,1,0,0,0,0|2,0,1]=4 659 B17R2.556 C=CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100000730141 [0,1,0,0,0,0|2,0,1]=4 660 B17R2.556 C=CC(O)COc1ccc2ccccc2c1 34a_100000185828_100000730141 [0,1,0,0,0,0|1,0,1]=3 661 B17R2.556 C=CC(O)COc1ccc2ccccc2c1 7a_100000185828_100000730141 [0,1,0,0,0,0|1,0,1]=3 662 B17R2.556 C=CC(O)COc1ccc2cccnc2c1 34a_100011216045_100000730141 [0,1,0,0,0,0|2,0,1]=4 663 B17R2.556 C=CC(O)COc1ccc2ccncc2c1 7a_100000752006_100000730141 [0,1,0,0,0,0|2,0,1]=4 664 B17R2.556 C=CC(O)COc1ccc2cnccc2c1 34a_100000046372_100000730141 [0,1,0,0,0,0|2,0,1]=4 665 B17R2.556 C=CC(O)COc1ccc2cnccc2c1 7a_100000046372_100000730141 [0,1,0,0,0,0|2,0,1]=4 666 B17R2.556 C=CC(O)COc1ccc2ncccc2c1 34a_100011215586_100000730141 [0,1,0,0,0,0|2,0,1]=4 667 B17R2.556 C=CC(O)COc1ccc2ncccc2c1 7a_100011215586_100000730141 [0,1,0,0,0,0|2,0,1]=4 668 B17R2.556 C=CC(O)COc1cnc2ccccc2c1 34a_100011934006_100000730141 [0,1,0,0,0,0|2,0,1]=4 669 B17R2.556 C=CC(O)COc1cnc2ccccc2c1 7a_100011934006_100000730141 [0,1,0,0,0,0|2,0,1]=4 670 B17R2.556 C=CC(O)CSc1ccc2ccccc2c1 62a_100000730141_100000233703 [0,1,0,0,0,0|1,1,1]=4 671 B17R2.556 CC(=NNc1ccc2ccccc2c1)CF 4a_100016987534_100000039719 [0,1,0,0,0,0|2,0,1]=4 672 B17R2.556 CC(=NNc1ccc2ccccc2c1)CO 4a_100016987534_100000211253 [0,1,0,0,0,0|2,0,1]=4 673 B17R2.556 CC(C#N)NCc1ccc2ccccc2c1 2230a_100000737613_100011216711 [0,1,0,0,0,0|2,0,1]=4 674 B17R2.556 CC(C#N)NCc1ccc2ccccc2c1 2230a_100000739491_100000184139 [0,1,0,0,0,0|2,0,1]=4 675 B17R2.556 CC(C#N)OCc1ccc2ccccc2c1 34a_100011218135_100011216711 [0,1,0,0,0,0|2,0,1]=4 676 B17R2.556 CC(C#N)OCc1ccc2ccccc2c1 7a_100011215330_100000703298 [0,1,0,0,0,0|2,0,1]=4 677 B17R2.556 CC(C#N)SCc1ccc2ccccc2c1 62a_100000703298_100011216711 [0,1,0,0,0,0|2,0,1]=4 678 B17R2.556 CC(C#N)SCc1ccc2ccccc2c1 62a_100011216711_100000703298 [0,1,0,0,0,0|2,0,1]=4 679 B17R2.556 CC(CF)OCc1cc2ccccc2cn1 34a_100016041109_100009869231 [0,1,0,0,0,0|3,0,0]=4 680 B17R2.556 CC(CF)OCc1cc2ccccc2cn1 7a_100016041109_100009869231 [0,1,0,0,0,0|3,0,0]=4 681 B17R2.556 CC(CF)OCc1ccc2ccccc2c1 34a_100016041109_100011216711 [0,1,0,0,0,0|2,0,0]=3 682 B17R2.556 CC(CF)OCc1ccc2ccccc2c1 7a_100016041109_100011216711 [0,1,0,0,0,0|2,0,0]=3 683 B17R2.556 CC(CF)OCc1ccc2ccccc2n1 34a_100016041109_100000737579 [0,1,0,0,0,0|3,0,0]=4 684 B17R2.556 CC(CF)OCc1ccc2ccccc2n1 7a_100016041109_100000737579 [0,1,0,0,0,0|3,0,0]=4 685 B17R2.556 CC(CF)OCc1ccc2cnccc2c1 34a_100016041109_100020605334 [0,1,0,0,0,0|3,0,0]=4 686 B17R2.556 CC(CF)OCc1ccc2cnccc2c1 7a_100016041109_100020605334 [0,1,0,0,0,0|3,0,0]=4 687 B17R2.556 CC(CF)OCc1ccc2ncccc2c1 34a_100016041109_100000703657 [0,1,0,0,0,0|3,0,0]=4 688 B17R2.556 CC(CF)OCc1ccc2ncccc2c1 7a_100016041109_100000703657 [0,1,0,0,0,0|3,0,0]=4 689 B17R2.556 CC(CN)OCc1cc2ccccc2cn1 34a_100000210904_100009869231 [0,1,0,0,0,0|3,0,0]=4 690 B17R2.556 CC(CN)OCc1ccc2ccccc2c1 34a_100000210904_100011216711 [0,1,0,0,0,0|2,0,0]=3 691 B17R2.556 CC(CN)OCc1ccc2ccccc2n1 34a_100000210904_100000737579 [0,1,0,0,0,0|3,0,0]=4 692 B17R2.556 CC(CN)OCc1ccc2cnccc2c1 34a_100000210904_100020605334 [0,1,0,0,0,0|3,0,0]=4 693 B17R2.556 CC(CN)OCc1ccc2ncccc2c1 34a_100000210904_100000703657 [0,1,0,0,0,0|3,0,0]=4 694 B17R2.556 CC(CO)CNc1ccc2ccccc2n1 27a_100000744482_100011291633 [0,1,0,0,0,0|2,0,0]=3 695 B17R2.556 CC(CO)CNc1ccc2cccnc2n1 27a_100000744482_100000075685 [0,1,0,0,0,0|3,0,0]=4 696 B17R2.556 CC(CO)CNc1ccc2ccncc2n1 27a_100000744482_100000020162 [0,1,0,0,0,0|3,0,0]=4 697 B17R2.556 CC(CO)CNc1ccc2cncnc2c1 27a_100000744482_100010185614 [0,1,0,0,0,0|3,0,0]=4 698 B17R2.556 CC(CO)CNc1ccc2ncccc2n1 27a_100000744482_100000073381 [0,1,0,0,0,0|3,0,0]=4 699 B17R2.556 CC(CO)CNc1ccc2nccnc2c1 27a_100000744482_100011219451 [0,1,0,0,0,0|3,0,0]=4 700 B17R2.556 CC(CO)CNc1cnc2ccccc2n1 27a_100000744482_100000756483 [0,1,0,0,0,0|3,0,0]=4 701 B17R2.556 CC(CO)CNc1ncc2ccccc2n1 27a_100000744482_100000097389 [0,1,0,0,0,0|3,0,0]=4 702 B17R2.556 CC(CO)NCc1ccc2ccccc2c1 2230a_100000739491_100012180447 [0,1,0,0,0,0|2,0,0]=3 703 B17R2.556 CC(CO)NCc1ccc2ccccc2c1 34a_100000739491_100012180447 [0,1,0,0,0,0|2,0,0]=3 704 B17R2.556 CC(CO)NCc1ccc2ncccc2c1 34a_100000238500_100012180447 [0,1,0,0,0,0|3,0,0]=4 705 B17R2.556 CC(CO)NCc1cnc2ccccc2c1 34a_100000742225_100012180447 [0,1,0,0,0,0|3,0,0]=4 706 B17R2.556 CC(CO)OCc1ccc2ccccc2c1 34a_100011215330_100012180447 [0,1,0,0,0,0|2,0,0]=3 707 B17R2.556 CC(CO)OCc1ccc2ccccc2c1 7a_100011215330_100012180447 [0,1,0,0,0,0|2,0,0]=3 708 B17R2.556 CC(CO)OCc1ccc2ncccc2c1 34a_100011315636_100012180447 [0,1,0,0,0,0|3,0,0]=4 709 B17R2.556 CC(CO)OCc1cnc2ccccc2c1 34a_100011258773_100012180447 [0,1,0,0,0,0|3,0,0]=4 710 B17R2.556 CC(CO)SCc1cc2ccccc2cn1 62a_100012180447_100009869231 [0,1,0,0,0,0|3,0,0]=4 711 B17R2.556 CC(CO)SCc1ccc2ccccc2c1 62a_100012180447_100011216711 [0,1,0,0,0,0|2,0,0]=3 712 B17R2.556 CC(CO)SCc1ccc2ccccc2n1 62a_100012180447_100000737579 [0,1,0,0,0,0|3,0,0]=4 713 B17R2.556 CC(CO)SCc1ccc2cnccc2c1 62a_100012180447_100020605334 [0,1,0,0,0,0|3,0,0]=4 714 B17R2.556 CC(CO)SCc1ccc2ncccc2c1 62a_100012180447_100000703657 [0,1,0,0,0,0|3,0,0]=4 715 B17R2.556 CCC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_100000210202 [0,1,0,0,0,0|2,0,1]=4 716 B17R2.556 CCC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000747405 [0,1,0,0,0,0|2,0,1]=4 717 B17R2.556 CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210202 [0,1,0,0,0,0|1,0,1]=3 718 B17R2.556 CCC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747405 [0,1,0,0,0,0|1,0,1]=3 719 B17R2.556 CCC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000747405 [0,1,0,0,0,0|2,0,1]=4 720 B17R2.556 CCC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000747405 [0,1,0,0,0,0|2,0,1]=4 721 B17R2.556 CCC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000747405 [0,1,0,0,0,0|2,0,1]=4 722 B17R2.556 CCC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000747405 [0,1,0,0,0,0|2,0,1]=4 723 B17R2.556 CCC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_100000210202 [0,1,0,0,0,0|1,1,1]=4 724 B17R2.556 CCC(=O)CSc1ccc2ccccc2c1 62a_100000747405_100000233703 [0,1,0,0,0,0|1,1,1]=4 725 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748023 [0,1,0,0,0,0|1,0,0]=2 726 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748023 [0,1,0,0,0,0|1,0,0]=2 727 B17R2.556 CCC(C)CNc1ccc2ccccc2n1 27a_100020588543_100011291633 [0,1,0,0,0,0|2,0,0]=3 728 B17R2.556 CCC(C)CNc1ccc2cccnc2c1 34a_100102887122_100000748023 [0,1,0,0,0,0|2,0,0]=3 729 B17R2.556 CCC(C)CNc1ccc2cccnc2n1 27a_100020588543_100000075685 [0,1,0,0,0,0|3,0,0]=4 730 B17R2.556 CCC(C)CNc1ccc2ccncc2n1 27a_100020588543_100000020162 [0,1,0,0,0,0|3,0,0]=4 731 B17R2.556 CCC(C)CNc1ccc2cnccc2c1 34a_100000039641_100000748023 [0,1,0,0,0,0|2,0,0]=3 732 B17R2.556 CCC(C)CNc1ccc2cncnc2c1 27a_100020588543_100010185614 [0,1,0,0,0,0|3,0,0]=4 733 B17R2.556 CCC(C)CNc1ccc2ncccc2c1 34a_100011198106_100000748023 [0,1,0,0,0,0|2,0,0]=3 734 B17R2.556 CCC(C)CNc1ccc2ncccc2n1 27a_100020588543_100000073381 [0,1,0,0,0,0|3,0,0]=4 735 B17R2.556 CCC(C)CNc1ccc2nccnc2c1 27a_100020588543_100011219451 [0,1,0,0,0,0|3,0,0]=4 736 B17R2.556 CCC(C)CNc1ccc2nccnc2c1 34a_100011219565_100000748023 [0,1,0,0,0,0|3,0,0]=4 737 B17R2.556 CCC(C)CNc1cnc2ccccc2n1 27a_100020588543_100000756483 [0,1,0,0,0,0|3,0,0]=4 738 B17R2.556 CCC(C)CNc1ncc2ccccc2n1 27a_100020588543_100000097389 [0,1,0,0,0,0|3,0,0]=4 739 B17R2.556 CCC(C)COc1ccc2ccccc2c1 34a_100000185828_100000748023 [0,1,0,0,0,0|0,0,0]=1 740 B17R2.556 CCC(C)COc1ccc2ccccc2c1 7a_100000185828_100000748023 [0,1,0,0,0,0|0,0,0]=1 741 B17R2.556 CCC(C)COc1ccc2cccnc2c1 34a_100011216045_100000748023 [0,1,0,0,0,0|1,0,0]=2 742 B17R2.556 CCC(C)COc1ccc2ccncc2c1 7a_100000752006_100000748023 [0,1,0,0,0,0|1,0,0]=2 743 B17R2.556 CCC(C)COc1ccc2cnccc2c1 34a_100000046372_100000748023 [0,1,0,0,0,0|1,0,0]=2 744 B17R2.556 CCC(C)COc1ccc2cnccc2c1 7a_100000046372_100000748023 [0,1,0,0,0,0|1,0,0]=2 745 B17R2.556 CCC(C)COc1ccc2ncccc2c1 34a_100011215586_100000748023 [0,1,0,0,0,0|1,0,0]=2 746 B17R2.556 CCC(C)COc1ccc2ncccc2c1 7a_100011215586_100000748023 [0,1,0,0,0,0|1,0,0]=2 747 B17R2.556 CCC(C)COc1ccc2nccnc2c1 34a_100000694412_100000748023 [0,1,0,0,0,0|2,0,0]=3 748 B17R2.556 CCC(C)COc1cnc2ccccc2c1 34a_100011934006_100000748023 [0,1,0,0,0,0|1,0,0]=2 749 B17R2.556 CCC(C)COc1cnc2ccccc2c1 7a_100011934006_100000748023 [0,1,0,0,0,0|1,0,0]=2 750 B17R2.556 CCC(C)CSc1cc2ccccc2cn1 62a_100000748023_100000047361 [0,1,0,0,0,0|1,1,0]=3 751 B17R2.556 CCC(C)CSc1cc2ccccc2cn1 62a_100009816522_100000748023 [0,1,0,0,0,0|1,1,0]=3 752 B17R2.556 CCC(C)CSc1ccc2ccccc2c1 62a_100000748023_100000233703 [0,1,0,0,0,0|0,1,0]=2 753 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100000748023_100011291633 [0,1,0,0,0,0|1,1,0]=3 754 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000748023 [0,1,0,0,0,0|1,1,0]=3 755 B17R2.556 CCC(C)CSc1ccc2cccnc2c1 62a_100000748023_100009816655 [0,1,0,0,0,0|1,1,0]=3 756 B17R2.556 CCC(C)CSc1ccc2cccnc2n1 62a_100000075685_100000748023 [0,1,0,0,0,0|2,1,0]=4 757 B17R2.556 CCC(C)CSc1ccc2cccnc2n1 62a_100000748023_100000075685 [0,1,0,0,0,0|2,1,0]=4 758 B17R2.556 CCC(C)CSc1ccc2ccncc2c1 62a_100000686496_100000748023 [0,1,0,0,0,0|1,1,0]=3 759 B17R2.556 CCC(C)CSc1ccc2ccncc2c1 62a_100000748023_100000686496 [0,1,0,0,0,0|1,1,0]=3 760 B17R2.556 CCC(C)CSc1ccc2ccncc2n1 62a_100000748023_100000020162 [0,1,0,0,0,0|2,1,0]=4 761 B17R2.556 CCC(C)CSc1ccc2cnccc2c1 62a_100000748023_100009816743 [0,1,0,0,0,0|1,1,0]=3 762 B17R2.556 CCC(C)CSc1ccc2cnccc2c1 62a_100009816743_100000748023 [0,1,0,0,0,0|1,1,0]=3 763 B17R2.556 CCC(C)CSc1ccc2cncnc2c1 62a_100000748023_100010185614 [0,1,0,0,0,0|2,1,0]=4 764 B17R2.556 CCC(C)CSc1ccc2cncnc2c1 62a_100010185614_100000748023 [0,1,0,0,0,0|2,1,0]=4 765 B17R2.556 CCC(C)CSc1ccc2cnncc2c1 62a_100000748023_100010198781 [0,1,0,0,0,0|2,1,0]=4 766 B17R2.556 CCC(C)CSc1ccc2cnncc2c1 62a_100010198781_100000748023 [0,1,0,0,0,0|2,1,0]=4 767 B17R2.556 CCC(C)CSc1ccc2ncccc2c1 62a_100000748023_100011215947 [0,1,0,0,0,0|1,1,0]=3 768 B17R2.556 CCC(C)CSc1ccc2ncccc2c1 62a_100011215947_100000748023 [0,1,0,0,0,0|1,1,0]=3 769 B17R2.556 CCC(C)CSc1ccc2ncccc2n1 62a_100000748023_100000073381 [0,1,0,0,0,0|2,1,0]=4 770 B17R2.556 CCC(C)CSc1ccc2nccnc2c1 62a_100000748023_100011219451 [0,1,0,0,0,0|2,1,0]=4 771 B17R2.556 CCC(C)CSc1ccc2nccnc2c1 62a_100011219451_100000748023 [0,1,0,0,0,0|2,1,0]=4 772 B17R2.556 CCC(C)CSc1ccc2ncncc2c1 62a_100000748023_100009989443 [0,1,0,0,0,0|2,1,0]=4 773 B17R2.556 CCC(C)CSc1ccc2ncncc2c1 62a_100009989443_100000748023 [0,1,0,0,0,0|2,1,0]=4 774 B17R2.556 CCC(C)CSc1ccc2nnccc2c1 62a_100000748023_100010209549 [0,1,0,0,0,0|2,1,0]=4 775 B17R2.556 CCC(C)CSc1ccc2nnccc2c1 62a_100010209549_100000748023 [0,1,0,0,0,0|2,1,0]=4 776 B17R2.556 CCC(C)CSc1cnc2ccccc2c1 62a_100000748023_100000737414 [0,1,0,0,0,0|1,1,0]=3 777 B17R2.556 CCC(C)CSc1cnc2ccccc2n1 62a_100000748023_100000756483 [0,1,0,0,0,0|2,1,0]=4 778 B17R2.556 CCC(C)CSc1cnc2ccccc2n1 62a_100000756483_100000748023 [0,1,0,0,0,0|2,1,0]=4 779 B17R2.556 CCC(C)CSc1cnc2cccnc2c1 62a_100000748023_100010246316 [0,1,0,0,0,0|2,1,0]=4 780 B17R2.556 CCC(C)CSc1cnc2cccnc2c1 62a_100010246316_100000748023 [0,1,0,0,0,0|2,1,0]=4 781 B17R2.556 CCC(C)CSc1ncc2ccccc2n1 62a_100000748023_100000097389 [0,1,0,0,0,0|2,1,0]=4 782 B17R2.556 CCC(C)NCc1cc2ccccc2cn1 207a_100000209981_100000059776 [0,1,0,0,0,0|3,0,0]=4 783 B17R2.556 CCC(C)NCc1cc2ccccc2cn1 2230a_100000209981_100009869231 [0,1,0,0,0,0|3,0,0]=4 784 B17R2.556 CCC(C)NCc1cc2ccccc2cn1 270004a_100000209981_100000059776 [0,1,0,0,0,0|3,0,0]=4 785 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 207a_100000209981_100000211584 [0,1,0,0,0,0|2,0,0]=3 786 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 2230a_100000209981_100011216711 [0,1,0,0,0,0|2,0,0]=3 787 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000758301 [0,1,0,0,0,0|2,0,0]=3 788 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 270004a_100000209981_100000211584 [0,1,0,0,0,0|2,0,0]=3 789 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 34a_100000739491_100011215416 [0,1,0,0,0,0|2,0,0]=3 790 B17R2.556 CCC(C)NCc1ccc2ccccc2n1 207a_100000209981_100000759686 [0,1,0,0,0,0|3,0,0]=4 791 B17R2.556 CCC(C)NCc1ccc2ccccc2n1 2230a_100000209981_100000737579 [0,1,0,0,0,0|3,0,0]=4 792 B17R2.556 CCC(C)NCc1ccc2ccccc2n1 270004a_100000209981_100000759686 [0,1,0,0,0,0|3,0,0]=4 793 B17R2.556 CCC(C)NCc1ccc2cccnc2c1 207a_100000209981_100011784159 [0,1,0,0,0,0|3,0,0]=4 794 B17R2.556 CCC(C)NCc1ccc2cccnc2c1 270004a_100000209981_100011784159 [0,1,0,0,0,0|3,0,0]=4 795 B17R2.556 CCC(C)NCc1ccc2cnccc2c1 207a_100000209981_100000068276 [0,1,0,0,0,0|3,0,0]=4 796 B17R2.556 CCC(C)NCc1ccc2cnccc2c1 2230a_100000209981_100020605334 [0,1,0,0,0,0|3,0,0]=4 797 B17R2.556 CCC(C)NCc1ccc2cnccc2c1 270004a_100000209981_100000068276 [0,1,0,0,0,0|3,0,0]=4 798 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 207a_100000209981_100000211315 [0,1,0,0,0,0|3,0,0]=4 799 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 2230a_100000209981_100000703657 [0,1,0,0,0,0|3,0,0]=4 800 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 270004a_100000209981_100000211315 [0,1,0,0,0,0|3,0,0]=4 801 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 34a_100000238500_100011215416 [0,1,0,0,0,0|3,0,0]=4 802 B17R2.556 CCC(C)NCc1cnc2ccccc2c1 207a_100000209981_100000750898 [0,1,0,0,0,0|3,0,0]=4 803 B17R2.556 CCC(C)NCc1cnc2ccccc2c1 270004a_100000209981_100000750898 [0,1,0,0,0,0|3,0,0]=4 804 B17R2.556 CCC(C)NCc1cnc2ccccc2c1 34a_100000742225_100011215416 [0,1,0,0,0,0|3,0,0]=4 805 B17R2.556 CCC(C)OCc1cc2ccccc2cn1 7a_100000210228_100009869231 [0,1,0,0,0,0|3,0,0]=4 806 B17R2.556 CCC(C)OCc1ccc2ccccc2c1 34a_100011215330_100011215416 [0,1,0,0,0,0|2,0,0]=3 807 B17R2.556 CCC(C)OCc1ccc2ccccc2c1 7a_100000210228_100011216711 [0,1,0,0,0,0|2,0,0]=3 808 B17R2.556 CCC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000758301 [0,1,0,0,0,0|2,0,0]=3 809 B17R2.556 CCC(C)OCc1ccc2ccccc2n1 7a_100000210228_100000737579 [0,1,0,0,0,0|3,0,0]=4 810 B17R2.556 CCC(C)OCc1ccc2cnccc2c1 7a_100000210228_100020605334 [0,1,0,0,0,0|3,0,0]=4 811 B17R2.556 CCC(C)OCc1ccc2ncccc2c1 34a_100011315636_100011215416 [0,1,0,0,0,0|3,0,0]=4 812 B17R2.556 CCC(C)OCc1ccc2ncccc2c1 7a_100000210228_100000703657 [0,1,0,0,0,0|3,0,0]=4 813 B17R2.556 CCC(C)OCc1cnc2ccccc2c1 34a_100011258773_100011215416 [0,1,0,0,0,0|3,0,0]=4 814 B17R2.556 CCC(C)SCc1cc2ccccc2cn1 62a_100000758301_100009869231 [0,1,0,0,0,0|3,0,0]=4 815 B17R2.556 CCC(C)SCc1cc2ccccc2cn1 62a_100009869231_100000758301 [0,1,0,0,0,0|3,0,0]=4 816 B17R2.556 CCC(C)SCc1ccc2ccccc2c1 62a_100000758301_100011216711 [0,1,0,0,0,0|2,0,0]=3 817 B17R2.556 CCC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000758301 [0,1,0,0,0,0|2,0,0]=3 818 B17R2.556 CCC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000758301 [0,1,0,0,0,0|3,0,0]=4 819 B17R2.556 CCC(C)SCc1ccc2ccccc2n1 62a_100000758301_100000737579 [0,1,0,0,0,0|3,0,0]=4 820 B17R2.556 CCC(C)SCc1ccc2cnccc2c1 62a_100000758301_100020605334 [0,1,0,0,0,0|3,0,0]=4 821 B17R2.556 CCC(C)SCc1ccc2cnccc2c1 62a_100020605334_100000758301 [0,1,0,0,0,0|3,0,0]=4 822 B17R2.556 CCC(C)SCc1ccc2ncccc2c1 62a_100000703657_100000758301 [0,1,0,0,0,0|3,0,0]=4 823 B17R2.556 CCC(C)SCc1ccc2ncccc2c1 62a_100000758301_100000703657 [0,1,0,0,0,0|3,0,0]=4 824 B17R2.556 CCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218378 [0,1,0,0,0,0|2,0,0]=3 825 B17R2.556 CCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218378 [0,1,0,0,0,0|2,0,0]=3 826 B17R2.556 CCC(O)CNc1ccc2ccccc2n1 27a_100011218483_100011291633 [0,1,0,0,0,0|3,0,0]=4 827 B17R2.556 CCC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011218378 [0,1,0,0,0,0|3,0,0]=4 828 B17R2.556 CCC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011218378 [0,1,0,0,0,0|3,0,0]=4 829 B17R2.556 CCC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011218378 [0,1,0,0,0,0|3,0,0]=4 830 B17R2.556 CCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218378 [0,1,0,0,0,0|1,0,0]=2 831 B17R2.556 CCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218378 [0,1,0,0,0,0|1,0,0]=2 832 B17R2.556 CCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218378 [0,1,0,0,0,0|2,0,0]=3 833 B17R2.556 CCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218378 [0,1,0,0,0,0|2,0,0]=3 834 B17R2.556 CCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218378 [0,1,0,0,0,0|2,0,0]=3 835 B17R2.556 CCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218378 [0,1,0,0,0,0|2,0,0]=3 836 B17R2.556 CCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218378 [0,1,0,0,0,0|2,0,0]=3 837 B17R2.556 CCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218378 [0,1,0,0,0,0|2,0,0]=3 838 B17R2.556 CCC(O)COc1ccc2nccnc2c1 34a_100000694412_100011218378 [0,1,0,0,0,0|3,0,0]=4 839 B17R2.556 CCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218378 [0,1,0,0,0,0|2,0,0]=3 840 B17R2.556 CCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218378 [0,1,0,0,0,0|2,0,0]=3 841 B17R2.556 CCC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011218378 [0,1,0,0,0,0|2,1,0]=4 842 B17R2.556 CCC(O)CSc1cc2ccccc2cn1 62a_100011218378_100000047361 [0,1,0,0,0,0|2,1,0]=4 843 B17R2.556 CCC(O)CSc1ccc2ccccc2c1 62a_100011218378_100000233703 [0,1,0,0,0,0|1,1,0]=3 844 B17R2.556 CCC(O)CSc1ccc2ccccc2n1 62a_100011218378_100011291633 [0,1,0,0,0,0|2,1,0]=4 845 B17R2.556 CCC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218378 [0,1,0,0,0,0|2,1,0]=4 846 B17R2.556 CCC(O)CSc1ccc2cccnc2c1 62a_100011218378_100009816655 [0,1,0,0,0,0|2,1,0]=4 847 B17R2.556 CCC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011218378 [0,1,0,0,0,0|2,1,0]=4 848 B17R2.556 CCC(O)CSc1ccc2ccncc2c1 62a_100011218378_100000686496 [0,1,0,0,0,0|2,1,0]=4 849 B17R2.556 CCC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011218378 [0,1,0,0,0,0|2,1,0]=4 850 B17R2.556 CCC(O)CSc1ccc2cnccc2c1 62a_100011218378_100009816743 [0,1,0,0,0,0|2,1,0]=4 851 B17R2.556 CCC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011218378 [0,1,0,0,0,0|2,1,0]=4 852 B17R2.556 CCC(O)CSc1ccc2ncccc2c1 62a_100011218378_100011215947 [0,1,0,0,0,0|2,1,0]=4 853 B17R2.556 CCC(O)CSc1cnc2ccccc2c1 62a_100011218378_100000737414 [0,1,0,0,0,0|2,1,0]=4 854 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 34a_100000211940_100009816398 [0,1,0,0,0,0|1,0,0]=2 855 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 7a_100000211940_100009816398 [0,1,0,0,0,0|1,0,0]=2 856 B17R2.556 CC[C@H](C)CNc1ccc2cccnc2c1 34a_100102887122_100009816398 [0,1,0,0,0,0|2,0,0]=3 857 B17R2.556 CC[C@H](C)CNc1ccc2cnccc2c1 34a_100000039641_100009816398 [0,1,0,0,0,0|2,0,0]=3 858 B17R2.556 CC[C@H](C)CNc1ccc2ncccc2c1 34a_100011198106_100009816398 [0,1,0,0,0,0|2,0,0]=3 859 B17R2.556 CC[C@H](C)CNc1ccc2nccnc2c1 34a_100011219565_100009816398 [0,1,0,0,0,0|3,0,0]=4 860 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 34a_100000185828_100009816398 [0,1,0,0,0,0|0,0,0]=1 861 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 7a_100000185828_100009816398 [0,1,0,0,0,0|0,0,0]=1 862 B17R2.556 CC[C@H](C)COc1ccc2cccnc2c1 34a_100011216045_100009816398 [0,1,0,0,0,0|1,0,0]=2 863 B17R2.556 CC[C@H](C)COc1ccc2ccncc2c1 7a_100000752006_100009816398 [0,1,0,0,0,0|1,0,0]=2 864 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 34a_100000046372_100009816398 [0,1,0,0,0,0|1,0,0]=2 865 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 7a_100000046372_100009816398 [0,1,0,0,0,0|1,0,0]=2 866 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 34a_100011215586_100009816398 [0,1,0,0,0,0|1,0,0]=2 867 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 7a_100011215586_100009816398 [0,1,0,0,0,0|1,0,0]=2 868 B17R2.556 CC[C@H](C)COc1ccc2nccnc2c1 34a_100000694412_100009816398 [0,1,0,0,0,0|2,0,0]=3 869 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 34a_100011934006_100009816398 [0,1,0,0,0,0|1,0,0]=2 870 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 7a_100011934006_100009816398 [0,1,0,0,0,0|1,0,0]=2 871 B17R2.556 CC[C@H](C)CSc1cc2ccccc2cn1 62a_100009816398_100000047361 [0,1,0,0,0,0|1,1,0]=3 872 B17R2.556 CC[C@H](C)CSc1cc2ccccc2cn1 62a_100009816522_100009816398 [0,1,0,0,0,0|1,1,0]=3 873 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2c1 62a_100009816398_100000233703 [0,1,0,0,0,0|0,1,0]=2 874 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100009816398_100011291633 [0,1,0,0,0,0|1,1,0]=3 875 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100011291633_100009816398 [0,1,0,0,0,0|1,1,0]=3 876 B17R2.556 CC[C@H](C)CSc1ccc2cccnc2c1 62a_100009816398_100009816655 [0,1,0,0,0,0|1,1,0]=3 877 B17R2.556 CC[C@H](C)CSc1ccc2cccnc2n1 62a_100000075685_100009816398 [0,1,0,0,0,0|2,1,0]=4 878 B17R2.556 CC[C@H](C)CSc1ccc2cccnc2n1 62a_100009816398_100000075685 [0,1,0,0,0,0|2,1,0]=4 879 B17R2.556 CC[C@H](C)CSc1ccc2ccncc2c1 62a_100000686496_100009816398 [0,1,0,0,0,0|1,1,0]=3 880 B17R2.556 CC[C@H](C)CSc1ccc2ccncc2c1 62a_100009816398_100000686496 [0,1,0,0,0,0|1,1,0]=3 881 B17R2.556 CC[C@H](C)CSc1ccc2ccncc2n1 62a_100009816398_100000020162 [0,1,0,0,0,0|2,1,0]=4 882 B17R2.556 CC[C@H](C)CSc1ccc2cnccc2c1 62a_100009816398_100009816743 [0,1,0,0,0,0|1,1,0]=3 883 B17R2.556 CC[C@H](C)CSc1ccc2cnccc2c1 62a_100009816743_100009816398 [0,1,0,0,0,0|1,1,0]=3 884 B17R2.556 CC[C@H](C)CSc1ccc2cncnc2c1 62a_100009816398_100010185614 [0,1,0,0,0,0|2,1,0]=4 885 B17R2.556 CC[C@H](C)CSc1ccc2cncnc2c1 62a_100010185614_100009816398 [0,1,0,0,0,0|2,1,0]=4 886 B17R2.556 CC[C@H](C)CSc1ccc2cnncc2c1 62a_100009816398_100010198781 [0,1,0,0,0,0|2,1,0]=4 887 B17R2.556 CC[C@H](C)CSc1ccc2cnncc2c1 62a_100010198781_100009816398 [0,1,0,0,0,0|2,1,0]=4 888 B17R2.556 CC[C@H](C)CSc1ccc2ncccc2c1 62a_100009816398_100011215947 [0,1,0,0,0,0|1,1,0]=3 889 B17R2.556 CC[C@H](C)CSc1ccc2ncccc2c1 62a_100011215947_100009816398 [0,1,0,0,0,0|1,1,0]=3 890 B17R2.556 CC[C@H](C)CSc1ccc2ncccc2n1 62a_100009816398_100000073381 [0,1,0,0,0,0|2,1,0]=4 891 B17R2.556 CC[C@H](C)CSc1ccc2nccnc2c1 62a_100009816398_100011219451 [0,1,0,0,0,0|2,1,0]=4 892 B17R2.556 CC[C@H](C)CSc1ccc2nccnc2c1 62a_100011219451_100009816398 [0,1,0,0,0,0|2,1,0]=4 893 B17R2.556 CC[C@H](C)CSc1ccc2ncncc2c1 62a_100009816398_100009989443 [0,1,0,0,0,0|2,1,0]=4 894 B17R2.556 CC[C@H](C)CSc1ccc2ncncc2c1 62a_100009989443_100009816398 [0,1,0,0,0,0|2,1,0]=4 895 B17R2.556 CC[C@H](C)CSc1ccc2nnccc2c1 62a_100009816398_100010209549 [0,1,0,0,0,0|2,1,0]=4 896 B17R2.556 CC[C@H](C)CSc1ccc2nnccc2c1 62a_100010209549_100009816398 [0,1,0,0,0,0|2,1,0]=4 897 B17R2.556 CC[C@H](C)CSc1cnc2ccccc2c1 62a_100009816398_100000737414 [0,1,0,0,0,0|1,1,0]=3 898 B17R2.556 CC[C@H](C)CSc1cnc2ccccc2n1 62a_100000756483_100009816398 [0,1,0,0,0,0|2,1,0]=4 899 B17R2.556 CC[C@H](C)CSc1cnc2ccccc2n1 62a_100009816398_100000756483 [0,1,0,0,0,0|2,1,0]=4 900 B17R2.556 CC[C@H](C)CSc1cnc2cccnc2c1 62a_100009816398_100010246316 [0,1,0,0,0,0|2,1,0]=4 901 B17R2.556 CC[C@H](C)CSc1cnc2cccnc2c1 62a_100010246316_100009816398 [0,1,0,0,0,0|2,1,0]=4 902 B17R2.556 CC[C@H](C)CSc1ncc2ccccc2n1 62a_100009816398_100000097389 [0,1,0,0,0,0|2,1,0]=4 903 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 11a_106832991635_100000743016 [0,1,0,0,0,0|2,0,1]=4 904 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 1626a_100102657272_100000743016 [0,1,0,0,0,0|2,0,1]=4 905 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 240690a_100102657272_100000743016 [0,1,0,0,0,0|2,0,1]=4 906 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 527a_100102657272_100000743016 [0,1,0,0,0,0|2,0,1]=4 907 B17R2.556 CNC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000183359 [0,1,0,0,0,0|2,0,1]=4 908 B17R2.556 CNC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000183359 [0,1,0,0,0,0|2,0,1]=4 909 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 11a_106832991635_100000185456 [0,1,0,0,0,0|1,0,1]=3 910 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 1626a_100102657272_100000185456 [0,1,0,0,0,0|1,0,1]=3 911 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 240690a_100102657272_100000185456 [0,1,0,0,0,0|1,0,1]=3 912 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000183359 [0,1,0,0,0,0|1,0,1]=3 913 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 527a_100102657272_100000185456 [0,1,0,0,0,0|1,0,1]=3 914 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000183359 [0,1,0,0,0,0|1,0,1]=3 915 B17R2.556 CNC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000183359 [0,1,0,0,0,0|2,0,1]=4 916 B17R2.556 CNC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000183359 [0,1,0,0,0,0|2,0,1]=4 917 B17R2.556 CNC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000183359 [0,1,0,0,0,0|2,0,1]=4 918 B17R2.556 CNC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000183359 [0,1,0,0,0,0|2,0,1]=4 919 B17R2.556 CNC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000183359 [0,1,0,0,0,0|2,0,1]=4 920 B17R2.556 CNC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000183359 [0,1,0,0,0,0|2,0,1]=4 921 B17R2.556 CNC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000183359 [0,1,0,0,0,0|2,0,1]=4 922 B17R2.556 CNC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000183359 [0,1,0,0,0,0|2,0,1]=4 923 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 11a_106832991635_100000181792 [0,1,0,0,0,0|1,1,1]=4 924 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 1626a_100102657272_100000181792 [0,1,0,0,0,0|1,1,1]=4 925 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 240690a_100102657272_100000181792 [0,1,0,0,0,0|1,1,1]=4 926 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 527a_100102657272_100000181792 [0,1,0,0,0,0|1,1,1]=4 927 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 62a_100000183359_100000233703 [0,1,0,0,0,0|1,1,1]=4 928 B17R2.556 COC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000747449 [0,1,0,0,0,0|2,0,1]=4 929 B17R2.556 COC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000747449 [0,1,0,0,0,0|2,0,1]=4 930 B17R2.556 COC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000747449 [0,1,0,0,0,0|1,0,1]=3 931 B17R2.556 COC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747449 [0,1,0,0,0,0|1,0,1]=3 932 B17R2.556 COC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000747449 [0,1,0,0,0,0|2,0,1]=4 933 B17R2.556 COC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000747449 [0,1,0,0,0,0|2,0,1]=4 934 B17R2.556 COC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000747449 [0,1,0,0,0,0|2,0,1]=4 935 B17R2.556 COC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000747449 [0,1,0,0,0,0|2,0,1]=4 936 B17R2.556 COC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000747449 [0,1,0,0,0,0|2,0,1]=4 937 B17R2.556 COC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000747449 [0,1,0,0,0,0|2,0,1]=4 938 B17R2.556 COC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000747449 [0,1,0,0,0,0|2,0,1]=4 939 B17R2.556 COC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000747449 [0,1,0,0,0,0|2,0,1]=4 940 B17R2.556 COC(=O)CSc1ccc2ccccc2c1 62a_100000747449_100000233703 [0,1,0,0,0,0|1,1,1]=4 941 B17R2.556 COC(C)SCc1cc2ccccc2cn1 62a_100009869231_100009879195 [0,1,0,0,0,0|3,0,0]=4 942 B17R2.556 COC(C)SCc1cc2ccccc2cn1 62a_100009879195_100009869231 [0,1,0,0,0,0|3,0,0]=4 943 B17R2.556 COC(C)SCc1ccc2ccccc2c1 62a_100009879195_100011216711 [0,1,0,0,0,0|2,0,0]=3 944 B17R2.556 COC(C)SCc1ccc2ccccc2c1 62a_100011216711_100009879195 [0,1,0,0,0,0|2,0,0]=3 945 B17R2.556 COC(C)SCc1ccc2ccccc2n1 62a_100000737579_100009879195 [0,1,0,0,0,0|3,0,0]=4 946 B17R2.556 COC(C)SCc1ccc2ccccc2n1 62a_100009879195_100000737579 [0,1,0,0,0,0|3,0,0]=4 947 B17R2.556 COC(C)SCc1ccc2cnccc2c1 62a_100009879195_100020605334 [0,1,0,0,0,0|3,0,0]=4 948 B17R2.556 COC(C)SCc1ccc2cnccc2c1 62a_100020605334_100009879195 [0,1,0,0,0,0|3,0,0]=4 949 B17R2.556 COC(C)SCc1ccc2ncccc2c1 62a_100000703657_100009879195 [0,1,0,0,0,0|3,0,0]=4 950 B17R2.556 COC(C)SCc1ccc2ncccc2c1 62a_100009879195_100000703657 [0,1,0,0,0,0|3,0,0]=4 951 B17R2.556 CO[C@H](C)CNc1ccc2ccccc2n1 27a_100020591295_100011291633 [0,1,0,0,0,0|2,0,0]=3 952 B17R2.556 CO[C@H](C)CNc1ccc2cccnc2n1 27a_100020591295_100000075685 [0,1,0,0,0,0|3,0,0]=4 953 B17R2.556 CO[C@H](C)CNc1ccc2ccncc2n1 27a_100020591295_100000020162 [0,1,0,0,0,0|3,0,0]=4 954 B17R2.556 CO[C@H](C)CNc1ccc2cncnc2c1 27a_100020591295_100010185614 [0,1,0,0,0,0|3,0,0]=4 955 B17R2.556 CO[C@H](C)CNc1ccc2ncccc2n1 27a_100020591295_100000073381 [0,1,0,0,0,0|3,0,0]=4 956 B17R2.556 CO[C@H](C)CNc1ccc2nccnc2c1 27a_100020591295_100011219451 [0,1,0,0,0,0|3,0,0]=4 957 B17R2.556 CO[C@H](C)CNc1cnc2ccccc2n1 27a_100020591295_100000756483 [0,1,0,0,0,0|3,0,0]=4 958 B17R2.556 CO[C@H](C)CNc1ncc2ccccc2n1 27a_100020591295_100000097389 [0,1,0,0,0,0|3,0,0]=4 959 B17R2.556 C[C@@H](CO)CNc1ccc2ccccc2c1 34a_100000211940_100000059175 [0,1,0,0,0,0|1,0,0]=2 960 B17R2.556 C[C@@H](CO)CNc1ccc2ccccc2c1 7a_100000211940_100000059175 [0,1,0,0,0,0|1,0,0]=2 961 B17R2.556 C[C@@H](CO)CNc1ccc2cccnc2c1 34a_100102887122_100000059175 [0,1,0,0,0,0|2,0,0]=3 962 B17R2.556 C[C@@H](CO)CNc1ccc2cnccc2c1 34a_100000039641_100000059175 [0,1,0,0,0,0|2,0,0]=3 963 B17R2.556 C[C@@H](CO)CNc1ccc2ncccc2c1 34a_100011198106_100000059175 [0,1,0,0,0,0|2,0,0]=3 964 B17R2.556 C[C@@H](CO)CNc1ccc2nccnc2c1 34a_100011219565_100000059175 [0,1,0,0,0,0|3,0,0]=4 965 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 34a_100000185828_100000059175 [0,1,0,0,0,0|0,0,0]=1 966 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 7a_100000185828_100000059175 [0,1,0,0,0,0|0,0,0]=1 967 B17R2.556 C[C@@H](CO)COc1ccc2cccnc2c1 34a_100011216045_100000059175 [0,1,0,0,0,0|1,0,0]=2 968 B17R2.556 C[C@@H](CO)COc1ccc2ccncc2c1 7a_100000752006_100000059175 [0,1,0,0,0,0|1,0,0]=2 969 B17R2.556 C[C@@H](CO)COc1ccc2cnccc2c1 34a_100000046372_100000059175 [0,1,0,0,0,0|1,0,0]=2 970 B17R2.556 C[C@@H](CO)COc1ccc2cnccc2c1 7a_100000046372_100000059175 [0,1,0,0,0,0|1,0,0]=2 971 B17R2.556 C[C@@H](CO)COc1ccc2ncccc2c1 34a_100011215586_100000059175 [0,1,0,0,0,0|1,0,0]=2 972 B17R2.556 C[C@@H](CO)COc1ccc2ncccc2c1 7a_100011215586_100000059175 [0,1,0,0,0,0|1,0,0]=2 973 B17R2.556 C[C@@H](CO)COc1ccc2nccnc2c1 34a_100000694412_100000059175 [0,1,0,0,0,0|2,0,0]=3 974 B17R2.556 C[C@@H](CO)COc1cnc2ccccc2c1 34a_100011934006_100000059175 [0,1,0,0,0,0|1,0,0]=2 975 B17R2.556 C[C@@H](CO)COc1cnc2ccccc2c1 7a_100011934006_100000059175 [0,1,0,0,0,0|1,0,0]=2 976 B17R2.556 C[C@@H](CO)CSc1cc2ccccc2cn1 62a_100000059175_100000047361 [0,1,0,0,0,0|1,1,0]=3 977 B17R2.556 C[C@@H](CO)CSc1cc2ccccc2cn1 62a_100009816522_100000059175 [0,1,0,0,0,0|1,1,0]=3 978 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2c1 62a_100000059175_100000233703 [0,1,0,0,0,0|0,1,0]=2 979 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2n1 62a_100000059175_100011291633 [0,1,0,0,0,0|1,1,0]=3 980 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2n1 62a_100011291633_100000059175 [0,1,0,0,0,0|1,1,0]=3 981 B17R2.556 C[C@@H](CO)CSc1ccc2cccnc2c1 62a_100000059175_100009816655 [0,1,0,0,0,0|1,1,0]=3 982 B17R2.556 C[C@@H](CO)CSc1ccc2cccnc2n1 62a_100000059175_100000075685 [0,1,0,0,0,0|2,1,0]=4 983 B17R2.556 C[C@@H](CO)CSc1ccc2cccnc2n1 62a_100000075685_100000059175 [0,1,0,0,0,0|2,1,0]=4 984 B17R2.556 C[C@@H](CO)CSc1ccc2ccncc2c1 62a_100000059175_100000686496 [0,1,0,0,0,0|1,1,0]=3 985 B17R2.556 C[C@@H](CO)CSc1ccc2ccncc2c1 62a_100000686496_100000059175 [0,1,0,0,0,0|1,1,0]=3 986 B17R2.556 C[C@@H](CO)CSc1ccc2ccncc2n1 62a_100000059175_100000020162 [0,1,0,0,0,0|2,1,0]=4 987 B17R2.556 C[C@@H](CO)CSc1ccc2cnccc2c1 62a_100000059175_100009816743 [0,1,0,0,0,0|1,1,0]=3 988 B17R2.556 C[C@@H](CO)CSc1ccc2cnccc2c1 62a_100009816743_100000059175 [0,1,0,0,0,0|1,1,0]=3 989 B17R2.556 C[C@@H](CO)CSc1ccc2cncnc2c1 62a_100000059175_100010185614 [0,1,0,0,0,0|2,1,0]=4 990 B17R2.556 C[C@@H](CO)CSc1ccc2cncnc2c1 62a_100010185614_100000059175 [0,1,0,0,0,0|2,1,0]=4 991 B17R2.556 C[C@@H](CO)CSc1ccc2cnncc2c1 62a_100000059175_100010198781 [0,1,0,0,0,0|2,1,0]=4 992 B17R2.556 C[C@@H](CO)CSc1ccc2cnncc2c1 62a_100010198781_100000059175 [0,1,0,0,0,0|2,1,0]=4 993 B17R2.556 C[C@@H](CO)CSc1ccc2ncccc2c1 62a_100000059175_100011215947 [0,1,0,0,0,0|1,1,0]=3 994 B17R2.556 C[C@@H](CO)CSc1ccc2ncccc2c1 62a_100011215947_100000059175 [0,1,0,0,0,0|1,1,0]=3 995 B17R2.556 C[C@@H](CO)CSc1ccc2ncccc2n1 62a_100000059175_100000073381 [0,1,0,0,0,0|2,1,0]=4 996 B17R2.556 C[C@@H](CO)CSc1ccc2nccnc2c1 62a_100000059175_100011219451 [0,1,0,0,0,0|2,1,0]=4 997 B17R2.556 C[C@@H](CO)CSc1ccc2nccnc2c1 62a_100011219451_100000059175 [0,1,0,0,0,0|2,1,0]=4 998 B17R2.556 C[C@@H](CO)CSc1ccc2ncncc2c1 62a_100000059175_100009989443 [0,1,0,0,0,0|2,1,0]=4 999 B17R2.556 C[C@@H](CO)CSc1ccc2ncncc2c1 62a_100009989443_100000059175 [0,1,0,0,0,0|2,1,0]=4 1000 B17R2.556 C[C@@H](CO)CSc1ccc2nnccc2c1 62a_100000059175_100010209549 [0,1,0,0,0,0|2,1,0]=4 1001 B17R2.556 C[C@@H](CO)CSc1ccc2nnccc2c1 62a_100010209549_100000059175 [0,1,0,0,0,0|2,1,0]=4 1002 B17R2.556 C[C@@H](CO)CSc1cnc2ccccc2c1 62a_100000059175_100000737414 [0,1,0,0,0,0|1,1,0]=3 1003 B17R2.556 C[C@@H](CO)CSc1cnc2ccccc2n1 62a_100000059175_100000756483 [0,1,0,0,0,0|2,1,0]=4 1004 B17R2.556 C[C@@H](CO)CSc1cnc2ccccc2n1 62a_100000756483_100000059175 [0,1,0,0,0,0|2,1,0]=4 1005 B17R2.556 C[C@@H](CO)CSc1cnc2cccnc2c1 62a_100000059175_100010246316 [0,1,0,0,0,0|2,1,0]=4 1006 B17R2.556 C[C@@H](CO)CSc1cnc2cccnc2c1 62a_100010246316_100000059175 [0,1,0,0,0,0|2,1,0]=4 1007 B17R2.556 C[C@@H](CO)CSc1ncc2ccccc2n1 62a_100000059175_100000097389 [0,1,0,0,0,0|2,1,0]=4 1008 B17R2.556 C[C@H](CF)NCc1cc2ccccc2cn1 207a_100102880703_100000059776 [0,1,0,0,0,0|3,0,0]=4 1009 B17R2.556 C[C@H](CF)NCc1cc2ccccc2cn1 270004a_100102880703_100000059776 [0,1,0,0,0,0|3,0,0]=4 1010 B17R2.556 C[C@H](CF)NCc1ccc2ccccc2c1 207a_100102880703_100000211584 [0,1,0,0,0,0|2,0,0]=3 1011 B17R2.556 C[C@H](CF)NCc1ccc2ccccc2c1 270004a_100102880703_100000211584 [0,1,0,0,0,0|2,0,0]=3 1012 B17R2.556 C[C@H](CF)NCc1ccc2ccccc2n1 207a_100102880703_100000759686 [0,1,0,0,0,0|3,0,0]=4 1013 B17R2.556 C[C@H](CF)NCc1ccc2ccccc2n1 270004a_100102880703_100000759686 [0,1,0,0,0,0|3,0,0]=4 1014 B17R2.556 C[C@H](CF)NCc1ccc2cccnc2c1 207a_100102880703_100011784159 [0,1,0,0,0,0|3,0,0]=4 1015 B17R2.556 C[C@H](CF)NCc1ccc2cccnc2c1 270004a_100102880703_100011784159 [0,1,0,0,0,0|3,0,0]=4 1016 B17R2.556 C[C@H](CF)NCc1ccc2cnccc2c1 207a_100102880703_100000068276 [0,1,0,0,0,0|3,0,0]=4 1017 B17R2.556 C[C@H](CF)NCc1ccc2cnccc2c1 270004a_100102880703_100000068276 [0,1,0,0,0,0|3,0,0]=4 1018 B17R2.556 C[C@H](CF)NCc1ccc2ncccc2c1 207a_100102880703_100000211315 [0,1,0,0,0,0|3,0,0]=4 1019 B17R2.556 C[C@H](CF)NCc1ccc2ncccc2c1 270004a_100102880703_100000211315 [0,1,0,0,0,0|3,0,0]=4 1020 B17R2.556 C[C@H](CF)NCc1cnc2ccccc2c1 207a_100102880703_100000750898 [0,1,0,0,0,0|3,0,0]=4 1021 B17R2.556 C[C@H](CF)NCc1cnc2ccccc2c1 270004a_100102880703_100000750898 [0,1,0,0,0,0|3,0,0]=4 1022 B17R2.556 C[C@H](CO)NCc1cc2ccccc2cn1 207a_100000737577_100000059776 [0,1,0,0,0,0|3,0,0]=4 1023 B17R2.556 C[C@H](CO)NCc1cc2ccccc2cn1 2230a_100000737577_100009869231 [0,1,0,0,0,0|3,0,0]=4 1024 B17R2.556 C[C@H](CO)NCc1cc2ccccc2cn1 270004a_100000737577_100000059776 [0,1,0,0,0,0|3,0,0]=4 1025 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2c1 207a_100000737577_100000211584 [0,1,0,0,0,0|2,0,0]=3 1026 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2c1 2230a_100000737577_100011216711 [0,1,0,0,0,0|2,0,0]=3 1027 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2c1 270004a_100000737577_100000211584 [0,1,0,0,0,0|2,0,0]=3 1028 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2n1 207a_100000737577_100000759686 [0,1,0,0,0,0|3,0,0]=4 1029 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2n1 2230a_100000737577_100000737579 [0,1,0,0,0,0|3,0,0]=4 1030 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2n1 270004a_100000737577_100000759686 [0,1,0,0,0,0|3,0,0]=4 1031 B17R2.556 C[C@H](CO)NCc1ccc2cccnc2c1 207a_100000737577_100011784159 [0,1,0,0,0,0|3,0,0]=4 1032 B17R2.556 C[C@H](CO)NCc1ccc2cccnc2c1 270004a_100000737577_100011784159 [0,1,0,0,0,0|3,0,0]=4 1033 B17R2.556 C[C@H](CO)NCc1ccc2cnccc2c1 207a_100000737577_100000068276 [0,1,0,0,0,0|3,0,0]=4 1034 B17R2.556 C[C@H](CO)NCc1ccc2cnccc2c1 2230a_100000737577_100020605334 [0,1,0,0,0,0|3,0,0]=4 1035 B17R2.556 C[C@H](CO)NCc1ccc2cnccc2c1 270004a_100000737577_100000068276 [0,1,0,0,0,0|3,0,0]=4 1036 B17R2.556 C[C@H](CO)NCc1ccc2ncccc2c1 207a_100000737577_100000211315 [0,1,0,0,0,0|3,0,0]=4 1037 B17R2.556 C[C@H](CO)NCc1ccc2ncccc2c1 2230a_100000737577_100000703657 [0,1,0,0,0,0|3,0,0]=4 1038 B17R2.556 C[C@H](CO)NCc1ccc2ncccc2c1 270004a_100000737577_100000211315 [0,1,0,0,0,0|3,0,0]=4 1039 B17R2.556 C[C@H](CO)NCc1cnc2ccccc2c1 207a_100000737577_100000750898 [0,1,0,0,0,0|3,0,0]=4 1040 B17R2.556 C[C@H](CO)NCc1cnc2ccccc2c1 270004a_100000737577_100000750898 [0,1,0,0,0,0|3,0,0]=4 1041 B17R2.556 C[C@H](CO)SCc1cc2ccccc2cn1 62a_100009869231_100016084084 [0,1,0,0,0,0|3,0,0]=4 1042 B17R2.556 C[C@H](CO)SCc1cc2ccccc2cn1 62a_100016084084_100009869231 [0,1,0,0,0,0|3,0,0]=4 1043 B17R2.556 C[C@H](CO)SCc1ccc2ccccc2c1 62a_100011216711_100016084084 [0,1,0,0,0,0|2,0,0]=3 1044 B17R2.556 C[C@H](CO)SCc1ccc2ccccc2c1 62a_100016084084_100011216711 [0,1,0,0,0,0|2,0,0]=3 1045 B17R2.556 C[C@H](CO)SCc1ccc2ccccc2n1 62a_100000737579_100016084084 [0,1,0,0,0,0|3,0,0]=4 1046 B17R2.556 C[C@H](CO)SCc1ccc2ccccc2n1 62a_100016084084_100000737579 [0,1,0,0,0,0|3,0,0]=4 1047 B17R2.556 C[C@H](CO)SCc1ccc2cnccc2c1 62a_100016084084_100020605334 [0,1,0,0,0,0|3,0,0]=4 1048 B17R2.556 C[C@H](CO)SCc1ccc2cnccc2c1 62a_100020605334_100016084084 [0,1,0,0,0,0|3,0,0]=4 1049 B17R2.556 C[C@H](CO)SCc1ccc2ncccc2c1 62a_100000703657_100016084084 [0,1,0,0,0,0|3,0,0]=4 1050 B17R2.556 C[C@H](CO)SCc1ccc2ncccc2c1 62a_100016084084_100000703657 [0,1,0,0,0,0|3,0,0]=4 1051 B17R2.556 O=C(CF)CCc1ccc2ccccc2c1 1458a_100000743016_100015361967 [0,1,0,0,0,0|2,0,1]=4 1052 B17R2.556 O=C(CF)COc1ccc2ccccc2c1 1458a_100000185456_100015361967 [0,1,0,0,0,0|1,0,1]=3 1053 B17R2.556 O=C(CF)CSc1ccc2ccccc2c1 1458a_100000181792_100015361967 [0,1,0,0,0,0|1,1,1]=4 1054 B17R2.556 OCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011219619 [0,1,0,0,0,0|2,0,0]=3 1055 B17R2.556 OCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011219619 [0,1,0,0,0,0|2,0,0]=3 1056 B17R2.556 OCC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011219619 [0,1,0,0,0,0|3,0,0]=4 1057 B17R2.556 OCC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011219619 [0,1,0,0,0,0|3,0,0]=4 1058 B17R2.556 OCC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011219619 [0,1,0,0,0,0|3,0,0]=4 1059 B17R2.556 OCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011219619 [0,1,0,0,0,0|1,0,0]=2 1060 B17R2.556 OCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011219619 [0,1,0,0,0,0|1,0,0]=2 1061 B17R2.556 OCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011219619 [0,1,0,0,0,0|2,0,0]=3 1062 B17R2.556 OCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011219619 [0,1,0,0,0,0|2,0,0]=3 1063 B17R2.556 OCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011219619 [0,1,0,0,0,0|2,0,0]=3 1064 B17R2.556 OCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011219619 [0,1,0,0,0,0|2,0,0]=3 1065 B17R2.556 OCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011219619 [0,1,0,0,0,0|2,0,0]=3 1066 B17R2.556 OCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011219619 [0,1,0,0,0,0|2,0,0]=3 1067 B17R2.556 OCC(O)COc1ccc2nccnc2c1 34a_100000694412_100011219619 [0,1,0,0,0,0|3,0,0]=4 1068 B17R2.556 OCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011219619 [0,1,0,0,0,0|2,0,0]=3 1069 B17R2.556 OCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011219619 [0,1,0,0,0,0|2,0,0]=3 1070 B17R2.556 OCC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011219619 [0,1,0,0,0,0|2,1,0]=4 1071 B17R2.556 OCC(O)CSc1cc2ccccc2cn1 62a_100011219619_100000047361 [0,1,0,0,0,0|2,1,0]=4 1072 B17R2.556 OCC(O)CSc1ccc2ccccc2c1 62a_100011219619_100000233703 [0,1,0,0,0,0|1,1,0]=3 1073 B17R2.556 OCC(O)CSc1ccc2ccccc2n1 62a_100011219619_100011291633 [0,1,0,0,0,0|2,1,0]=4 1074 B17R2.556 OCC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011219619 [0,1,0,0,0,0|2,1,0]=4 1075 B17R2.556 OCC(O)CSc1ccc2cccnc2c1 62a_100011219619_100009816655 [0,1,0,0,0,0|2,1,0]=4 1076 B17R2.556 OCC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011219619 [0,1,0,0,0,0|2,1,0]=4 1077 B17R2.556 OCC(O)CSc1ccc2ccncc2c1 62a_100011219619_100000686496 [0,1,0,0,0,0|2,1,0]=4 1078 B17R2.556 OCC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011219619 [0,1,0,0,0,0|2,1,0]=4 1079 B17R2.556 OCC(O)CSc1ccc2cnccc2c1 62a_100011219619_100009816743 [0,1,0,0,0,0|2,1,0]=4 1080 B17R2.556 OCC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011219619 [0,1,0,0,0,0|2,1,0]=4 1081 B17R2.556 OCC(O)CSc1ccc2ncccc2c1 62a_100011219619_100011215947 [0,1,0,0,0,0|2,1,0]=4 1082 B17R2.556 OCC(O)CSc1cnc2ccccc2c1 62a_100011219619_100000737414 [0,1,0,0,0,0|2,1,0]=4 1083 B17R2.556 OC[C@@H](O)CNc1ccc2ccccc2n1 27a_100020644852_100011291633 [0,1,0,0,0,0|3,0,0]=4 1084 B17R2.556 OC[C@H](F)CNc1ccc2ccccc2n1 27a_100015665980_100011291633 [0,1,0,0,0,0|3,0,0]=4 1085 B17R2.556 OC[C@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009815848 [0,1,0,0,0,0|2,0,0]=3 1086 B17R2.556 OC[C@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009815848 [0,1,0,0,0,0|2,0,0]=3 1087 B17R2.556 OC[C@H](O)CNc1ccc2cccnc2c1 34a_100102887122_100009815848 [0,1,0,0,0,0|3,0,0]=4 1088 B17R2.556 OC[C@H](O)CNc1ccc2cnccc2c1 34a_100000039641_100009815848 [0,1,0,0,0,0|3,0,0]=4 1089 B17R2.556 OC[C@H](O)CNc1ccc2ncccc2c1 34a_100011198106_100009815848 [0,1,0,0,0,0|3,0,0]=4 1090 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009815848 [0,1,0,0,0,0|1,0,0]=2 1091 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009815848 [0,1,0,0,0,0|1,0,0]=2 1092 B17R2.556 OC[C@H](O)COc1ccc2cccnc2c1 34a_100011216045_100009815848 [0,1,0,0,0,0|2,0,0]=3 1093 B17R2.556 OC[C@H](O)COc1ccc2ccncc2c1 7a_100000752006_100009815848 [0,1,0,0,0,0|2,0,0]=3 1094 B17R2.556 OC[C@H](O)COc1ccc2cnccc2c1 34a_100000046372_100009815848 [0,1,0,0,0,0|2,0,0]=3 1095 B17R2.556 OC[C@H](O)COc1ccc2cnccc2c1 7a_100000046372_100009815848 [0,1,0,0,0,0|2,0,0]=3 1096 B17R2.556 OC[C@H](O)COc1ccc2ncccc2c1 34a_100011215586_100009815848 [0,1,0,0,0,0|2,0,0]=3 1097 B17R2.556 OC[C@H](O)COc1ccc2ncccc2c1 7a_100011215586_100009815848 [0,1,0,0,0,0|2,0,0]=3 1098 B17R2.556 OC[C@H](O)COc1ccc2nccnc2c1 34a_100000694412_100009815848 [0,1,0,0,0,0|3,0,0]=4 1099 B17R2.556 OC[C@H](O)COc1cnc2ccccc2c1 34a_100011934006_100009815848 [0,1,0,0,0,0|2,0,0]=3 1100 B17R2.556 OC[C@H](O)COc1cnc2ccccc2c1 7a_100011934006_100009815848 [0,1,0,0,0,0|2,0,0]=3 1101 B17R2.556 OC[C@H](O)CSc1cc2ccccc2cn1 62a_100009815848_100000047361 [0,1,0,0,0,0|2,1,0]=4 1102 B17R2.556 OC[C@H](O)CSc1cc2ccccc2cn1 62a_100009816522_100009815848 [0,1,0,0,0,0|2,1,0]=4 1103 B17R2.556 OC[C@H](O)CSc1ccc2ccccc2c1 62a_100009815848_100000233703 [0,1,0,0,0,0|1,1,0]=3 1104 B17R2.556 OC[C@H](O)CSc1ccc2ccccc2n1 62a_100009815848_100011291633 [0,1,0,0,0,0|2,1,0]=4 1105 B17R2.556 OC[C@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009815848 [0,1,0,0,0,0|2,1,0]=4 1106 B17R2.556 OC[C@H](O)CSc1ccc2cccnc2c1 62a_100009815848_100009816655 [0,1,0,0,0,0|2,1,0]=4 1107 B17R2.556 OC[C@H](O)CSc1ccc2ccncc2c1 62a_100000686496_100009815848 [0,1,0,0,0,0|2,1,0]=4 1108 B17R2.556 OC[C@H](O)CSc1ccc2ccncc2c1 62a_100009815848_100000686496 [0,1,0,0,0,0|2,1,0]=4 1109 B17R2.556 OC[C@H](O)CSc1ccc2cnccc2c1 62a_100009815848_100009816743 [0,1,0,0,0,0|2,1,0]=4 1110 B17R2.556 OC[C@H](O)CSc1ccc2cnccc2c1 62a_100009816743_100009815848 [0,1,0,0,0,0|2,1,0]=4 1111 B17R2.556 OC[C@H](O)CSc1ccc2ncccc2c1 62a_100009815848_100011215947 [0,1,0,0,0,0|2,1,0]=4 1112 B17R2.556 OC[C@H](O)CSc1ccc2ncccc2c1 62a_100011215947_100009815848 [0,1,0,0,0,0|2,1,0]=4 1113 B17R2.556 OC[C@H](O)CSc1cnc2ccccc2c1 62a_100009815848_100000737414 [0,1,0,0,0,0|2,1,0]=4 1114 B17R2.556 O[C@@H](CF)CNc1ccc2ccccc2c1 34a_100000211940_100015614560 [0,1,0,0,0,0|2,0,0]=3 1115 B17R2.556 O[C@@H](CF)CNc1ccc2ccccc2c1 7a_100000211940_100015614560 [0,1,0,0,0,0|2,0,0]=3 1116 B17R2.556 O[C@@H](CF)CNc1ccc2cccnc2c1 34a_100102887122_100015614560 [0,1,0,0,0,0|3,0,0]=4 1117 B17R2.556 O[C@@H](CF)CNc1ccc2cnccc2c1 34a_100000039641_100015614560 [0,1,0,0,0,0|3,0,0]=4 1118 B17R2.556 O[C@@H](CF)CNc1ccc2ncccc2c1 34a_100011198106_100015614560 [0,1,0,0,0,0|3,0,0]=4 1119 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 34a_100000185828_100015614560 [0,1,0,0,0,0|1,0,0]=2 1120 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 7a_100000185828_100015614560 [0,1,0,0,0,0|1,0,0]=2 1121 B17R2.556 O[C@@H](CF)COc1ccc2cccnc2c1 34a_100011216045_100015614560 [0,1,0,0,0,0|2,0,0]=3 1122 B17R2.556 O[C@@H](CF)COc1ccc2ccncc2c1 7a_100000752006_100015614560 [0,1,0,0,0,0|2,0,0]=3 1123 B17R2.556 O[C@@H](CF)COc1ccc2cnccc2c1 34a_100000046372_100015614560 [0,1,0,0,0,0|2,0,0]=3 1124 B17R2.556 O[C@@H](CF)COc1ccc2cnccc2c1 7a_100000046372_100015614560 [0,1,0,0,0,0|2,0,0]=3 1125 B17R2.556 O[C@@H](CF)COc1ccc2ncccc2c1 34a_100011215586_100015614560 [0,1,0,0,0,0|2,0,0]=3 1126 B17R2.556 O[C@@H](CF)COc1ccc2ncccc2c1 7a_100011215586_100015614560 [0,1,0,0,0,0|2,0,0]=3 1127 B17R2.556 O[C@@H](CF)COc1ccc2nccnc2c1 34a_100000694412_100015614560 [0,1,0,0,0,0|3,0,0]=4 1128 B17R2.556 O[C@@H](CF)COc1cnc2ccccc2c1 34a_100011934006_100015614560 [0,1,0,0,0,0|2,0,0]=3 1129 B17R2.556 O[C@@H](CF)COc1cnc2ccccc2c1 7a_100011934006_100015614560 [0,1,0,0,0,0|2,0,0]=3 1130 B17R2.556 O[C@@H](CF)CSc1cc2ccccc2cn1 62a_100009816522_100015614560 [0,1,0,0,0,0|2,1,0]=4 1131 B17R2.556 O[C@@H](CF)CSc1cc2ccccc2cn1 62a_100015614560_100000047361 [0,1,0,0,0,0|2,1,0]=4 1132 B17R2.556 O[C@@H](CF)CSc1ccc2ccccc2c1 62a_100015614560_100000233703 [0,1,0,0,0,0|1,1,0]=3 1133 B17R2.556 O[C@@H](CF)CSc1ccc2ccccc2n1 62a_100011291633_100015614560 [0,1,0,0,0,0|2,1,0]=4 1134 B17R2.556 O[C@@H](CF)CSc1ccc2ccccc2n1 62a_100015614560_100011291633 [0,1,0,0,0,0|2,1,0]=4 1135 B17R2.556 O[C@@H](CF)CSc1ccc2cccnc2c1 62a_100015614560_100009816655 [0,1,0,0,0,0|2,1,0]=4 1136 B17R2.556 O[C@@H](CF)CSc1ccc2ccncc2c1 62a_100000686496_100015614560 [0,1,0,0,0,0|2,1,0]=4 1137 B17R2.556 O[C@@H](CF)CSc1ccc2ccncc2c1 62a_100015614560_100000686496 [0,1,0,0,0,0|2,1,0]=4 1138 B17R2.556 O[C@@H](CF)CSc1ccc2cnccc2c1 62a_100009816743_100015614560 [0,1,0,0,0,0|2,1,0]=4 1139 B17R2.556 O[C@@H](CF)CSc1ccc2cnccc2c1 62a_100015614560_100009816743 [0,1,0,0,0,0|2,1,0]=4 1140 B17R2.556 O[C@@H](CF)CSc1ccc2ncccc2c1 62a_100011215947_100015614560 [0,1,0,0,0,0|2,1,0]=4 1141 B17R2.556 O[C@@H](CF)CSc1ccc2ncccc2c1 62a_100015614560_100011215947 [0,1,0,0,0,0|2,1,0]=4 1142 B17R2.556 O[C@@H](CF)CSc1cnc2ccccc2c1 62a_100015614560_100000737414 [0,1,0,0,0,0|2,1,0]=4 1143 B17R2.5006 C=C(C)CNc1cc2ccccc2cc1Br 34a_100009991566_100000748629 [0,1,0,0,0,0|1,0,2]=4 1144 B17R2.5006 C=C(C)CNc1cc2ccccc2cc1Br 7a_100009991566_100000748629 [0,1,0,0,0,0|1,0,2]=4 1145 B17R2.5006 C=C(C)COc1cc2ccccc2cc1Br 34a_100009817189_100000748629 [0,1,0,0,0,0|0,0,2]=3 1146 B17R2.5006 C=C(C)COc1cc2ccccc2cc1Br 7a_100009817189_100000748629 [0,1,0,0,0,0|0,0,2]=3 1147 B17R2.5006 C=C(C)COc1cc2ccccc2cc1C 34a_100000091601_100000748629 [0,1,0,0,0,0|0,0,2]=3 1148 B17R2.5006 C=C(C)COc1cc2ccccc2cc1C 7a_100000091601_100000748629 [0,1,0,0,0,0|0,0,2]=3 1149 B17R2.5006 C=C(C)COc1cc2ccccc2cc1N 34a_106744474703_100000748629 [0,1,0,0,0,0|0,0,2]=3 1150 B17R2.5006 C=C(C)COc1cc2ccccc2cc1N 7a_106744474703_100000748629 [0,1,0,0,0,0|0,0,2]=3 1151 B17R2.5006 C=C(C)COc1cc2ccccc2nc1C 34a_200000079175_100000748629 [0,1,0,0,0,0|1,0,2]=4 1152 B17R2.5006 C=C(C)COc1cc2ccccc2nc1C 7a_200000079175_100000748629 [0,1,0,0,0,0|1,0,2]=4 1153 B17R2.5006 C=C(C)COc1cc2ccccc2nc1Cl 34a_200000100762_100000748629 [0,1,0,0,0,0|1,0,2]=4 1154 B17R2.5006 C=C(C)COc1cc2ccccc2nc1Cl 7a_200000100762_100000748629 [0,1,0,0,0,0|1,0,2]=4 1155 B17R2.5006 C=C(C)COc1cc2ccccc2oc1=O 7a_100000061252_100000748629 [0,1,0,0,0,0|1,0,2]=4 1156 B17R2.5006 C=C(C)COc1cc2cccnc2cc1Br 34a_200010153759_100000748629 [0,1,0,0,0,0|1,0,2]=4 1157 B17R2.5006 C=C(C)COc1cc2cccnc2cc1Br 7a_200010153759_100000748629 [0,1,0,0,0,0|1,0,2]=4 1158 B17R2.5006 C=C(C)CSc1cc2ccccc2cc1N 62a_100000748629_100009991566 [0,1,0,0,0,0|0,1,2]=4 1159 B17R2.5006 C=C(C)CSc1cc2ccccc2cc1N 62a_100009991566_100000211660 [0,1,0,0,0,0|0,1,2]=4 1160 B17R2.5006 C=C(C)CSc1cc2ccccc2cc1O 62a_100000748629_100009817189 [0,1,0,0,0,0|0,1,2]=4 1161 B17R2.5006 C=C(F)COc1cc2ccccc2cc1Br 34a_100009817189_100009893438 [0,1,0,0,0,0|1,0,2]=4 1162 B17R2.5006 C=C(F)COc1cc2ccccc2cc1Br 7a_100009817189_100000042424 [0,1,0,0,0,0|1,0,2]=4 1163 B17R2.5006 C=C(F)COc1cc2ccccc2cc1C 34a_100000091601_100009893438 [0,1,0,0,0,0|1,0,2]=4 1164 B17R2.5006 C=C(F)COc1cc2ccccc2cc1C 7a_100000091601_100000042424 [0,1,0,0,0,0|1,0,2]=4 1165 B17R2.5006 C=C(F)COc1cc2ccccc2cc1N 34a_106744474703_100009893438 [0,1,0,0,0,0|1,0,2]=4 1166 B17R2.5006 C=C(F)COc1cc2ccccc2cc1N 7a_106744474703_100000042424 [0,1,0,0,0,0|1,0,2]=4 1167 B17R2.5006 CC(C)C=Cc1cc2ccccc2cc1N 271570a_100016257149_100009991566 [0,1,0,0,0,0|1,0,1]=3 1168 B17R2.5006 CC(C)C=Cc1cc2ccccc2cc1O 271570a_100016257149_100009817189 [0,1,0,0,0,0|1,0,1]=3 1169 B17R2.5006 CC(C)C=Cc1cc2ccccc2nc1Cl 271570a_100016257149_100010220712 [0,1,0,0,0,0|2,0,1]=4 1170 B17R2.5006 CC(C)C=Cc1cc2ccccc2nc1F 271570a_100016257149_100011158909 [0,1,0,0,0,0|2,0,1]=4 1171 B17R2.5006 CC(C)C=Cc1cc2ccccc2nc1N 271570a_100016257149_100010135404 [0,1,0,0,0,0|2,0,1]=4 1172 B17R2.5006 CC(C)C=Cc1cc2ccccc2nc1O 271570a_100016257149_200009820883 [0,1,0,0,0,0|2,0,1]=4 1173 B17R2.5006 CC(C)C=Cc1cc2ccccc2oc1=O 271570a_100016257149_200000187772 [0,1,0,0,0,0|2,0,1]=4 1174 B17R2.5006 CC(C)C=Cc1cc2cccnc2cc1F 271570a_100016257149_100009854028 [0,1,0,0,0,0|2,0,1]=4 1175 B17R2.5006 CC(C)C=Cc1cc2ccncc2cc1F 271570a_100016257149_100011105921 [0,1,0,0,0,0|2,0,1]=4 1176 B17R2.5006 CC(C)C=Cc1cc2cnccc2cc1F 271570a_100016257149_100010244713 [0,1,0,0,0,0|2,0,1]=4 1177 B17R2.5006 CC(C)C=Cc1cc2ncccc2cc1O 271570a_100016257149_200010153759 [0,1,0,0,0,0|2,0,1]=4 1178 B17R2.5006 CC(C)C=Cc1nc2ccccc2cc1Br 271570a_100016257149_100010072790 [0,1,0,0,0,0|2,0,1]=4 1179 B17R2.5006 CC(C)C=Cc1nc2ccccc2cc1O 271570a_100016257149_200000100762 [0,1,0,0,0,0|2,0,1]=4 1180 B17R2.5006 CC(C)CNc1cc2ccccc2cc1Br 34a_100009991566_100000210624 [0,1,0,0,0,0|1,0,0]=2 1181 B17R2.5006 CC(C)CNc1cc2ccccc2cc1Br 7a_100009991566_100000210760 [0,1,0,0,0,0|1,0,0]=2 1182 B17R2.5006 CC(C)CNc1cc2nccnc2cc1F 27a_100000210953_100010080477 [0,1,0,0,0,0|3,0,0]=4 1183 B17R2.5006 CC(C)CNc1nc2ccccc2nc1N 27a_100000210953_100000009970 [0,1,0,0,0,0|3,0,0]=4 1184 B17R2.5006 CC(C)COc1cc2ccccc2cc1Br 34a_100009817189_100000210624 [0,1,0,0,0,0|0,0,0]=1 1185 B17R2.5006 CC(C)COc1cc2ccccc2cc1Br 7a_100009817189_100000210760 [0,1,0,0,0,0|0,0,0]=1 1186 B17R2.5006 CC(C)COc1cc2ccccc2cc1N 34a_106744474703_100000210624 [0,1,0,0,0,0|0,0,0]=1 1187 B17R2.5006 CC(C)COc1cc2ccccc2cc1N 7a_106744474703_100000210760 [0,1,0,0,0,0|0,0,0]=1 1188 B17R2.5006 CC(C)COc1cc2ccccc2nc1Cl 34a_200000100762_100000210624 [0,1,0,0,0,0|1,0,0]=2 1189 B17R2.5006 CC(C)COc1cc2ccccc2nc1Cl 7a_200000100762_100000210760 [0,1,0,0,0,0|1,0,0]=2 1190 B17R2.5006 CC(C)COc1cc2ccccc2oc1=O 7a_100000061252_100000210760 [0,1,0,0,0,0|1,0,0]=2 1191 B17R2.5006 CC(C)COc1cc2cccnc2cc1Br 34a_200010153759_100000210624 [0,1,0,0,0,0|1,0,0]=2 1192 B17R2.5006 CC(C)COc1cc2cccnc2cc1Br 7a_200010153759_100000210760 [0,1,0,0,0,0|1,0,0]=2 1193 B17R2.5006 CC(C)CSc1cc2ccccc2cc1N 62a_100000210624_100009991566 [0,1,0,0,0,0|0,1,0]=2 1194 B17R2.5006 CC(C)CSc1cc2ccccc2cc1N 62a_100009991566_100000210760 [0,1,0,0,0,0|0,1,0]=2 1195 B17R2.5006 CC(C)CSc1cc2ccccc2cc1O 62a_100000210624_100009817189 [0,1,0,0,0,0|0,1,0]=2 1196 B17R2.5006 CC(C)CSc1cc2ccccc2nc1Cl 62a_100000210624_100010220712 [0,1,0,0,0,0|1,1,0]=3 1197 B17R2.5006 CC(C)CSc1cc2ccccc2nc1F 62a_100000210624_100011158909 [0,1,0,0,0,0|1,1,0]=3 1198 B17R2.5006 CC(C)CSc1cc2ccccc2nc1F 62a_100011158909_100000210760 [0,1,0,0,0,0|1,1,0]=3 1199 B17R2.5006 CC(C)CSc1cc2ccccc2nc1N 62a_100010135404_100000210760 [0,1,0,0,0,0|1,1,0]=3 1200 B17R2.5006 CC(C)CSc1cc2ccccc2nc1O 62a_100000210624_200009820883 [0,1,0,0,0,0|1,1,0]=3 1201 B17R2.5006 CC(C)CSc1cc2ccccc2oc1=O 62a_100000210624_200000187772 [0,1,0,0,0,0|1,1,0]=3 1202 B17R2.5006 CC(C)CSc1cc2cccnc2cc1F 62a_100000210624_100009854028 [0,1,0,0,0,0|1,1,0]=3 1203 B17R2.5006 CC(C)CSc1cc2cccnc2cc1F 62a_100009854028_100000210760 [0,1,0,0,0,0|1,1,0]=3 1204 B17R2.5006 CC(C)CSc1cc2ccncc2cc1F 62a_100000210624_100011105921 [0,1,0,0,0,0|1,1,0]=3 1205 B17R2.5006 CC(C)CSc1cc2ccncc2cc1F 62a_100011105921_100000210760 [0,1,0,0,0,0|1,1,0]=3 1206 B17R2.5006 CC(C)CSc1cc2cnccc2cc1F 62a_100000210624_100010244713 [0,1,0,0,0,0|1,1,0]=3 1207 B17R2.5006 CC(C)CSc1cc2cnccc2cc1F 62a_100010244713_100000210760 [0,1,0,0,0,0|1,1,0]=3 1208 B17R2.5006 CC(C)CSc1cc2ncccc2cc1O 62a_100000210624_200010153759 [0,1,0,0,0,0|1,1,0]=3 1209 B17R2.5006 CC(C)CSc1cc2nccnc2cc1F 62a_100000210624_100010080477 [0,1,0,0,0,0|2,1,0]=4 1210 B17R2.5006 CC(C)CSc1cc2nccnc2cc1F 62a_100010080477_100000210760 [0,1,0,0,0,0|2,1,0]=4 1211 B17R2.5006 CC(C)CSc1nc2ccccc2cc1Br 62a_100000210624_100010072790 [0,1,0,0,0,0|1,1,0]=3 1212 B17R2.5006 CC(C)CSc1nc2ccccc2cc1Br 62a_100010072790_100000210760 [0,1,0,0,0,0|1,1,0]=3 1213 B17R2.5006 CC(C)CSc1nc2ccccc2cc1O 62a_100000210624_200000100762 [0,1,0,0,0,0|1,1,0]=3 1214 B17R2.5006 CC(C)NCc1cc2ccccc2nc1Cl 2230a_100138425928_100000189640 [0,1,0,0,0,0|3,0,0]=4 1215 B17R2.5006 CC(C)NCc1cc2ccccc2nc1Cl 34a_100138425928_100000189640 [0,1,0,0,0,0|3,0,0]=4 1216 B17R2.5006 CC(C)NCc1cc2ccccc2nc1O 207a_100138425928_100000184424 [0,1,0,0,0,0|3,0,0]=4 1217 B17R2.5006 CC(C)OCc1cc2ccccc2nc1Cl 34a_100000212225_100000189640 [0,1,0,0,0,0|3,0,0]=4 1218 B17R2.5006 CC(C)OCc1cc2ccccc2nc1Cl 34a_100000754719_100000210206 [0,1,0,0,0,0|3,0,0]=4 1219 B17R2.5006 CC(C)OCc1cc2ccccc2nc1Cl 7a_100000754719_100000210206 [0,1,0,0,0,0|3,0,0]=4 1220 B17R2.5006 CC(C)SCc1cc2ccccc2nc1Cl 62a_100000210206_100000189640 [0,1,0,0,0,0|3,0,0]=4 1221 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1Br 271570a_200011019289_200010169544 [0,1,0,0,0,0|2,0,1]=4 1222 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1Cl 271570a_200011019289_100010152806 [0,1,0,0,0,0|2,0,1]=4 1223 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1N 271570a_200011019289_100009991566 [0,1,0,0,0,0|2,0,1]=4 1224 B17R2.5006 CC(O)C=Cc1cc2ccccc2cc1O 271570a_200011019289_100009817189 [0,1,0,0,0,0|2,0,1]=4 1225 B17R2.5006 CC(O)CNc1cc2ccccc2cc1Br 34a_100009991566_100011218427 [0,1,0,0,0,0|2,0,0]=3 1226 B17R2.5006 CC(O)CNc1cc2ccccc2cc1Br 7a_100009991566_100011218427 [0,1,0,0,0,0|2,0,0]=3 1227 B17R2.5006 CC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100011218427 [0,1,0,0,0,0|1,0,0]=2 1228 B17R2.5006 CC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100011218427 [0,1,0,0,0,0|1,0,0]=2 1229 B17R2.5006 CC(O)COc1cc2ccccc2cc1N 34a_106744474703_100011218427 [0,1,0,0,0,0|1,0,0]=2 1230 B17R2.5006 CC(O)COc1cc2ccccc2cc1N 7a_106744474703_100011218427 [0,1,0,0,0,0|1,0,0]=2 1231 B17R2.5006 CC(O)COc1cc2ccccc2nc1Cl 34a_200000100762_100011218427 [0,1,0,0,0,0|2,0,0]=3 1232 B17R2.5006 CC(O)COc1cc2ccccc2nc1Cl 7a_200000100762_100011218427 [0,1,0,0,0,0|2,0,0]=3 1233 B17R2.5006 CC(O)COc1cc2ccccc2oc1=O 7a_100000061252_100011218427 [0,1,0,0,0,0|2,0,0]=3 1234 B17R2.5006 CC(O)COc1cc2cccnc2cc1Br 34a_200010153759_100011218427 [0,1,0,0,0,0|2,0,0]=3 1235 B17R2.5006 CC(O)COc1cc2cccnc2cc1Br 7a_200010153759_100011218427 [0,1,0,0,0,0|2,0,0]=3 1236 B17R2.5006 CC(O)CSc1cc2ccccc2cc1Br 62a_100011218427_200010169544 [0,1,0,0,0,0|1,1,0]=3 1237 B17R2.5006 CC(O)CSc1cc2ccccc2cc1Br 62a_200010169544_100011218427 [0,1,0,0,0,0|1,1,0]=3 1238 B17R2.5006 CC(O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100011218427 [0,1,0,0,0,0|1,1,0]=3 1239 B17R2.5006 CC(O)CSc1cc2ccccc2cc1Cl 62a_100011218427_100010152806 [0,1,0,0,0,0|1,1,0]=3 1240 B17R2.5006 CC(O)CSc1cc2ccccc2cc1N 62a_100009991566_100011218427 [0,1,0,0,0,0|1,1,0]=3 1241 B17R2.5006 CC(O)CSc1cc2ccccc2cc1N 62a_100011218427_100009991566 [0,1,0,0,0,0|1,1,0]=3 1242 B17R2.5006 CC(O)CSc1cc2ccccc2cc1O 62a_100011218427_100009817189 [0,1,0,0,0,0|1,1,0]=3 1243 B17R2.5006 CC(O)CSc1cc2ccccc2nc1Cl 62a_100011218427_100010220712 [0,1,0,0,0,0|2,1,0]=4 1244 B17R2.5006 CC(O)CSc1cc2ccccc2nc1F 62a_100011158909_100011218427 [0,1,0,0,0,0|2,1,0]=4 1245 B17R2.5006 CC(O)CSc1cc2ccccc2nc1F 62a_100011218427_100011158909 [0,1,0,0,0,0|2,1,0]=4 1246 B17R2.5006 CC(O)CSc1cc2ccccc2nc1N 62a_100010135404_100011218427 [0,1,0,0,0,0|2,1,0]=4 1247 B17R2.5006 CC(O)CSc1cc2ccccc2nc1O 62a_100011218427_200009820883 [0,1,0,0,0,0|2,1,0]=4 1248 B17R2.5006 CC(O)CSc1cc2ccccc2oc1=O 62a_100011218427_200000187772 [0,1,0,0,0,0|2,1,0]=4 1249 B17R2.5006 CC(O)CSc1cc2cccnc2cc1F 62a_100009854028_100011218427 [0,1,0,0,0,0|2,1,0]=4 1250 B17R2.5006 CC(O)CSc1cc2cccnc2cc1F 62a_100011218427_100009854028 [0,1,0,0,0,0|2,1,0]=4 1251 B17R2.5006 CC(O)CSc1cc2ccncc2cc1F 62a_100011105921_100011218427 [0,1,0,0,0,0|2,1,0]=4 1252 B17R2.5006 CC(O)CSc1cc2ccncc2cc1F 62a_100011218427_100011105921 [0,1,0,0,0,0|2,1,0]=4 1253 B17R2.5006 CC(O)CSc1cc2cnccc2cc1F 62a_100010244713_100011218427 [0,1,0,0,0,0|2,1,0]=4 1254 B17R2.5006 CC(O)CSc1cc2cnccc2cc1F 62a_100011218427_100010244713 [0,1,0,0,0,0|2,1,0]=4 1255 B17R2.5006 CC(O)CSc1cc2ncccc2cc1O 62a_100011218427_200010153759 [0,1,0,0,0,0|2,1,0]=4 1256 B17R2.5006 CC(O)CSc1nc2ccccc2cc1Br 62a_100010072790_100011218427 [0,1,0,0,0,0|2,1,0]=4 1257 B17R2.5006 CC(O)CSc1nc2ccccc2cc1Br 62a_100011218427_100010072790 [0,1,0,0,0,0|2,1,0]=4 1258 B17R2.5006 CC(O)CSc1nc2ccccc2cc1O 62a_100011218427_200000100762 [0,1,0,0,0,0|2,1,0]=4 1259 B17R2.5006 CN(C)CCc1cc2ccccc2nc1Cl 2230a_100102631434_100000066995 [0,1,0,0,0,0|3,0,0]=4 1260 B17R2.5006 C[C@@H](O)CNc1cc2ccccc2cc1Br 34a_100009991566_100009817552 [0,1,0,0,0,0|2,0,0]=3 1261 B17R2.5006 C[C@@H](O)CNc1cc2ccccc2cc1Br 7a_100009991566_100009817552 [0,1,0,0,0,0|2,0,0]=3 1262 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1Br 34a_100009817189_100009817552 [0,1,0,0,0,0|1,0,0]=2 1263 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1Br 7a_100009817189_100009817552 [0,1,0,0,0,0|1,0,0]=2 1264 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1N 34a_106744474703_100009817552 [0,1,0,0,0,0|1,0,0]=2 1265 B17R2.5006 C[C@@H](O)COc1cc2ccccc2cc1N 7a_106744474703_100009817552 [0,1,0,0,0,0|1,0,0]=2 1266 B17R2.5006 C[C@@H](O)COc1cc2ccccc2nc1Cl 34a_200000100762_100009817552 [0,1,0,0,0,0|2,0,0]=3 1267 B17R2.5006 C[C@@H](O)COc1cc2ccccc2nc1Cl 7a_200000100762_100009817552 [0,1,0,0,0,0|2,0,0]=3 1268 B17R2.5006 C[C@@H](O)COc1cc2ccccc2oc1=O 7a_100000061252_100009817552 [0,1,0,0,0,0|2,0,0]=3 1269 B17R2.5006 C[C@@H](O)COc1cc2cccnc2cc1Br 34a_200010153759_100009817552 [0,1,0,0,0,0|2,0,0]=3 1270 B17R2.5006 C[C@@H](O)COc1cc2cccnc2cc1Br 7a_200010153759_100009817552 [0,1,0,0,0,0|2,0,0]=3 1271 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1Br 62a_100009817552_200010169544 [0,1,0,0,0,0|1,1,0]=3 1272 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1Br 62a_200010169544_100009817552 [0,1,0,0,0,0|1,1,0]=3 1273 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1Cl 62a_100009817552_100010152806 [0,1,0,0,0,0|1,1,0]=3 1274 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100009817552 [0,1,0,0,0,0|1,1,0]=3 1275 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1N 62a_100009817552_100009991566 [0,1,0,0,0,0|1,1,0]=3 1276 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1N 62a_100009991566_100009817552 [0,1,0,0,0,0|1,1,0]=3 1277 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2cc1O 62a_100009817552_100009817189 [0,1,0,0,0,0|1,1,0]=3 1278 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2nc1Cl 62a_100009817552_100010220712 [0,1,0,0,0,0|2,1,0]=4 1279 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2nc1F 62a_100009817552_100011158909 [0,1,0,0,0,0|2,1,0]=4 1280 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2nc1F 62a_100011158909_100009817552 [0,1,0,0,0,0|2,1,0]=4 1281 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2nc1N 62a_100010135404_100009817552 [0,1,0,0,0,0|2,1,0]=4 1282 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2nc1O 62a_100009817552_200009820883 [0,1,0,0,0,0|2,1,0]=4 1283 B17R2.5006 C[C@@H](O)CSc1cc2ccccc2oc1=O 62a_100009817552_200000187772 [0,1,0,0,0,0|2,1,0]=4 1284 B17R2.5006 C[C@@H](O)CSc1cc2cccnc2cc1F 62a_100009817552_100009854028 [0,1,0,0,0,0|2,1,0]=4 1285 B17R2.5006 C[C@@H](O)CSc1cc2cccnc2cc1F 62a_100009854028_100009817552 [0,1,0,0,0,0|2,1,0]=4 1286 B17R2.5006 C[C@@H](O)CSc1cc2ccncc2cc1F 62a_100009817552_100011105921 [0,1,0,0,0,0|2,1,0]=4 1287 B17R2.5006 C[C@@H](O)CSc1cc2ccncc2cc1F 62a_100011105921_100009817552 [0,1,0,0,0,0|2,1,0]=4 1288 B17R2.5006 C[C@@H](O)CSc1cc2cnccc2cc1F 62a_100009817552_100010244713 [0,1,0,0,0,0|2,1,0]=4 1289 B17R2.5006 C[C@@H](O)CSc1cc2cnccc2cc1F 62a_100010244713_100009817552 [0,1,0,0,0,0|2,1,0]=4 1290 B17R2.5006 C[C@@H](O)CSc1cc2ncccc2cc1O 62a_100009817552_200010153759 [0,1,0,0,0,0|2,1,0]=4 1291 B17R2.5006 C[C@@H](O)CSc1nc2ccccc2cc1Br 62a_100009817552_100010072790 [0,1,0,0,0,0|2,1,0]=4 1292 B17R2.5006 C[C@@H](O)CSc1nc2ccccc2cc1Br 62a_100010072790_100009817552 [0,1,0,0,0,0|2,1,0]=4 1293 B17R2.5006 C[C@@H](O)CSc1nc2ccccc2cc1O 62a_100009817552_200000100762 [0,1,0,0,0,0|2,1,0]=4 1294 B17R2.5006 Cc1cc2ccccc2cc1OCC(=O)N 34a_100000091601_100000187820 [0,1,0,0,0,0|2,0,1]=4 1295 B17R2.5006 Cc1cc2ccccc2cc1OCC(=O)N 7a_100000091601_100000187820 [0,1,0,0,0,0|2,0,1]=4 1296 B17R2.5006 Cc1cc2ccccc2cc1OCC(=O)[O-] 34a_100000091601_100020667443 [0,1,0,0,0,0|2,0,1]=4 1297 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)C 34a_100000091601_100000210624 [0,1,0,0,0,0|0,0,0]=1 1298 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)C 7a_100000091601_100000210760 [0,1,0,0,0,0|0,0,0]=1 1299 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)O 34a_100000091601_100011218427 [0,1,0,0,0,0|1,0,0]=2 1300 B17R2.5006 Cc1cc2ccccc2cc1OCC(C)O 7a_100000091601_100011218427 [0,1,0,0,0,0|1,0,0]=2 1301 B17R2.5006 Cc1cc2ccccc2cc1OCC(F)F 34a_100000091601_100011934356 [0,1,0,0,0,0|2,0,0]=3 1302 B17R2.5006 Cc1cc2ccccc2cc1OCC(F)F 7a_100000091601_100011934356 [0,1,0,0,0,0|2,0,0]=3 1303 B17R2.5006 Cc1cc2ccccc2cc1OC[C@@H](C)O 34a_100000091601_100009817552 [0,1,0,0,0,0|1,0,0]=2 1304 B17R2.5006 Cc1cc2ccccc2cc1OC[C@@H](C)O 7a_100000091601_100009817552 [0,1,0,0,0,0|1,0,0]=2 1305 B17R2.5006 Cc1cc2ccccc2cc1OC[N+](=O)[O-] 34a_100000091601_100000761209 [0,1,0,0,0,0|3,0,0]=4 1306 B17R2.5006 Cc1cc2ccccc2nc1C=CC(C)C 271570a_100016257149_100000751756 [0,1,0,0,0,0|2,0,1]=4 1307 B17R2.5006 Cc1cc2ccccc2nc1NCC(C)C 27a_100000210953_100000751756 [0,1,0,0,0,0|2,0,0]=3 1308 B17R2.5006 Cc1cc2ccccc2nc1NCC(C)O 27a_100000210904_100000751756 [0,1,0,0,0,0|3,0,0]=4 1309 B17R2.5006 Cc1cc2ccccc2nc1SCC(C)C 62a_100000210624_100000751756 [0,1,0,0,0,0|1,1,0]=3 1310 B17R2.5006 Cc1cc2ccccc2nc1SCC(C)O 62a_100011218427_100000751756 [0,1,0,0,0,0|2,1,0]=4 1311 B17R2.5006 Cc1cc2ccccc2nc1SC[C@@H](C)O 62a_100009817552_100000751756 [0,1,0,0,0,0|2,1,0]=4 1312 B17R2.5006 Cc1cc2cccnc2nc1NCC(C)C 27a_100000210953_100009877248 [0,1,0,0,0,0|3,0,0]=4 1313 B17R2.5006 Cc1cc2cccnc2nc1SCC(C)C 62a_100000210624_100009877248 [0,1,0,0,0,0|2,1,0]=4 1314 B17R2.5006 Cc1cc2ncccc2cc1C=CC(C)C 271570a_100016257149_100010137429 [0,1,0,0,0,0|2,0,1]=4 1315 B17R2.5006 Cc1cc2ncccc2cc1SCC(C)C 62a_100000210624_100010137429 [0,1,0,0,0,0|1,1,0]=3 1316 B17R2.5006 Cc1cc2ncccc2cc1SCC(C)C 62a_100010137429_100000210760 [0,1,0,0,0,0|1,1,0]=3 1317 B17R2.5006 Cc1cc2ncccc2cc1SCC(C)O 62a_100010137429_100011218427 [0,1,0,0,0,0|2,1,0]=4 1318 B17R2.5006 Cc1cc2ncccc2cc1SCC(C)O 62a_100011218427_100010137429 [0,1,0,0,0,0|2,1,0]=4 1319 B17R2.5006 Cc1cc2ncccc2cc1SC[C@@H](C)O 62a_100009817552_100010137429 [0,1,0,0,0,0|2,1,0]=4 1320 B17R2.5006 Cc1cc2ncccc2cc1SC[C@@H](C)O 62a_100010137429_100009817552 [0,1,0,0,0,0|2,1,0]=4 1321 B17R2.5006 Cc1cc2nccnc2cc1NCC(C)C 27a_100000210953_100010080479 [0,1,0,0,0,0|3,0,0]=4 1322 B17R2.5006 Cc1cc2nccnc2cc1SCC(C)C 62a_100000210624_100010080479 [0,1,0,0,0,0|2,1,0]=4 1323 B17R2.5006 Cc1cc2nccnc2cc1SCC(C)C 62a_100010080479_100000210760 [0,1,0,0,0,0|2,1,0]=4 1324 B17R2.5006 Cc1nc2ccccc2cc1OCC(C)C 34a_200000079175_100000210624 [0,1,0,0,0,0|1,0,0]=2 1325 B17R2.5006 Cc1nc2ccccc2cc1OCC(C)C 7a_200000079175_100000210760 [0,1,0,0,0,0|1,0,0]=2 1326 B17R2.5006 Cc1nc2ccccc2cc1OCC(C)O 34a_200000079175_100011218427 [0,1,0,0,0,0|2,0,0]=3 1327 B17R2.5006 Cc1nc2ccccc2cc1OCC(C)O 7a_200000079175_100011218427 [0,1,0,0,0,0|2,0,0]=3 1328 B17R2.5006 Cc1nc2ccccc2cc1OCC(F)F 34a_200000079175_100011934356 [0,1,0,0,0,0|3,0,0]=4 1329 B17R2.5006 Cc1nc2ccccc2cc1OCC(F)F 7a_200000079175_100011934356 [0,1,0,0,0,0|3,0,0]=4 1330 B17R2.5006 Cc1nc2ccccc2cc1OC[C@@H](C)O 34a_200000079175_100009817552 [0,1,0,0,0,0|2,0,0]=3 1331 B17R2.5006 Cc1nc2ccccc2cc1OC[C@@H](C)O 7a_200000079175_100009817552 [0,1,0,0,0,0|2,0,0]=3 1332 B17R2.5006 Cc1nc2ccccc2nc1NCC(C)C 27a_100000210953_100000185947 [0,1,0,0,0,0|3,0,0]=4 1333 B17R2.5006 Cc1nc2ccccc2nc1SCC(C)C 62a_100000210624_100000185947 [0,1,0,0,0,0|2,1,0]=4 1334 B17R2.5006 Cc1nc2ccccc2nc1SCC(C)C 62a_100000757254_100000210760 [0,1,0,0,0,0|2,1,0]=4 1335 B17R2.5006 FC(F)CNc1cc2ccccc2cc1Br 34a_100009991566_100011934356 [0,1,0,0,0,0|3,0,0]=4 1336 B17R2.5006 FC(F)CNc1cc2ccccc2cc1Br 7a_100009991566_100011934356 [0,1,0,0,0,0|3,0,0]=4 1337 B17R2.5006 FC(F)COc1cc2ccccc2cc1Br 34a_100009817189_100011934356 [0,1,0,0,0,0|2,0,0]=3 1338 B17R2.5006 FC(F)COc1cc2ccccc2cc1Br 7a_100009817189_100011934356 [0,1,0,0,0,0|2,0,0]=3 1339 B17R2.5006 FC(F)COc1cc2ccccc2nc1Cl 34a_200000100762_100011934356 [0,1,0,0,0,0|3,0,0]=4 1340 B17R2.5006 FC(F)COc1cc2ccccc2nc1Cl 7a_200000100762_100011934356 [0,1,0,0,0,0|3,0,0]=4 1341 B17R2.5006 FC(F)COc1cc2cccnc2cc1Br 34a_200010153759_100011934356 [0,1,0,0,0,0|3,0,0]=4 1342 B17R2.5006 FC(F)COc1cc2cccnc2cc1Br 7a_200010153759_100011934356 [0,1,0,0,0,0|3,0,0]=4 1343 B17R2.5006 FC(F)CSc1cc2ccccc2cc1Br 62a_100011934356_200010169544 [0,1,0,0,0,0|2,1,0]=4 1344 B17R2.5006 FC(F)CSc1cc2ccccc2cc1Br 62a_200010169544_100011934356 [0,1,0,0,0,0|2,1,0]=4 1345 B17R2.5006 FC(F)CSc1cc2ccccc2cc1Cl 62a_100010152806_100011934356 [0,1,0,0,0,0|2,1,0]=4 1346 B17R2.5006 FC(F)CSc1cc2ccccc2cc1Cl 62a_100011934356_100010152806 [0,1,0,0,0,0|2,1,0]=4 1347 B17R2.5006 NC(=O)COc1cc2ccccc2cc1Br 34a_100009817189_100000187820 [0,1,0,0,0,0|2,0,1]=4 1348 B17R2.5006 NC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000187820 [0,1,0,0,0,0|2,0,1]=4 1349 B17R2.5006 NC(=O)COc1cc2ccccc2cc1N 34a_106744474703_100000187820 [0,1,0,0,0,0|2,0,1]=4 1350 B17R2.5006 NC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000187820 [0,1,0,0,0,0|2,0,1]=4 1351 B17R2.5006 Nc1cc2ccccc2cc1OCC(=O)[O-] 34a_106744474703_100020667443 [0,1,0,0,0,0|2,0,1]=4 1352 B17R2.5006 Nc1cc2ccccc2cc1OCC(F)F 34a_106744474703_100011934356 [0,1,0,0,0,0|2,0,0]=3 1353 B17R2.5006 Nc1cc2ccccc2cc1OCC(F)F 7a_106744474703_100011934356 [0,1,0,0,0,0|2,0,0]=3 1354 B17R2.5006 Nc1cc2ccccc2cc1OC[N+](=O)[O-] 34a_106744474703_100000761209 [0,1,0,0,0,0|3,0,0]=4 1355 B17R2.5006 Nc1cc2ccccc2cc1SCC(F)F 62a_100009991566_100011934356 [0,1,0,0,0,0|2,1,0]=4 1356 B17R2.5006 Nc1cc2ccccc2cc1SCC(F)F 62a_100011934356_100009991566 [0,1,0,0,0,0|2,1,0]=4 1357 B17R2.5006 O=C([O-])COc1cc2ccccc2cc1Br 34a_100009817189_100020667443 [0,1,0,0,0,0|2,0,1]=4 1358 B17R2.5006 O=[N+]([O-])COc1cc2ccccc2cc1Br 34a_100009817189_100000761209 [0,1,0,0,0,0|3,0,0]=4 1359 B17R2.5006 O=c1oc2ccccc2cc1OCC(F)F 7a_100000061252_100011934356 [0,1,0,0,0,0|3,0,0]=4 1360 B17R2.5006 Oc1cc2ccccc2cc1SCC(F)F 62a_100011934356_100009817189 [0,1,0,0,0,0|2,1,0]=4 1361 B17R2.9167 CC(=O)C(C)Nc1ccc2ccccc2c1 7a_100000211940_100000179758 [0,1,0,0,0,0|2,0,1]=4 1362 B17R2.9167 CC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000179758 [0,1,0,0,0,0|1,0,1]=3 1363 B17R2.9167 CC(=O)C(C)Oc1ccc2ccncc2c1 7a_100000752006_100000179758 [0,1,0,0,0,0|2,0,1]=4 1364 B17R2.9167 CC(=O)C(C)Oc1ccc2cnccc2c1 7a_100000046372_100000179758 [0,1,0,0,0,0|2,0,1]=4 1365 B17R2.9167 CC(=O)C(C)Oc1ccc2ncccc2c1 7a_100011215586_100000179758 [0,1,0,0,0,0|2,0,1]=4 1366 B17R2.9167 CC(=O)C(C)Oc1cnc2ccccc2c1 7a_100011934006_100000179758 [0,1,0,0,0,0|2,0,1]=4 1367 B17R2.9167 CC(=O)C(C)Sc1ccc2ccccc2c1 62a_100009814033_100000233703 [0,1,0,0,0,0|1,1,1]=4 1368 B17R2.9167 CC(C)C(=O)Cc1cc2ccccc2cn1 1458a_100000210198_100009869231 [0,1,0,0,0,0|2,0,1]=4 1369 B17R2.9167 CC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210206 [0,1,0,0,0,0|1,0,1]=3 1370 B17R2.9167 CC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000210198_100011216711 [0,1,0,0,0,0|1,0,1]=3 1371 B17R2.9167 CC(C)C(=O)Cc1ccc2ccccc2n1 1458a_100000210198_100000737579 [0,1,0,0,0,0|2,0,1]=4 1372 B17R2.9167 CC(C)C(=O)Cc1ccc2cnccc2c1 1458a_100000210198_100020605334 [0,1,0,0,0,0|2,0,1]=4 1373 B17R2.9167 CC(C)C(=O)Cc1ccc2ncccc2c1 1458a_100000210198_100000703657 [0,1,0,0,0,0|2,0,1]=4 1374 B17R2.9167 CC(C)C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210206 [0,1,0,0,0,0|2,0,1]=4 1375 B17R2.9167 CC(C)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210198 [0,1,0,0,0,0|1,0,1]=3 1376 B17R2.9167 CC(C)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210198 [0,1,0,0,0,0|1,0,1]=3 1377 B17R2.9167 CC(C)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210198 [0,1,0,0,0,0|1,0,1]=3 1378 B17R2.9167 CC(C)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210198 [0,1,0,0,0,0|1,0,1]=3 1379 B17R2.9167 CC(C)C(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000210198 [0,1,0,0,0,0|2,0,1]=4 1380 B17R2.9167 CC(C)C(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000210198 [0,1,0,0,0,0|2,0,1]=4 1381 B17R2.9167 CC(C)C(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000210198 [0,1,0,0,0,0|2,0,1]=4 1382 B17R2.9167 CC(C)C(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000210198 [0,1,0,0,0,0|2,0,1]=4 1383 B17R2.9167 CC(C)C(=O)Nc1ccc2ccncc2c1 11a_100000069342_100000210198 [0,1,0,0,0,0|2,0,1]=4 1384 B17R2.9167 CC(C)C(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000210198 [0,1,0,0,0,0|2,0,1]=4 1385 B17R2.9167 CC(C)C(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000210198 [0,1,0,0,0,0|2,0,1]=4 1386 B17R2.9167 CC(C)C(=O)Nc1ccc2ccncc2c1 527a_100000069342_100000210198 [0,1,0,0,0,0|2,0,1]=4 1387 B17R2.9167 CC(C)C(=O)Nc1ccc2cnccc2c1 11a_100000039641_100000210198 [0,1,0,0,0,0|2,0,1]=4 1388 B17R2.9167 CC(C)C(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000210198 [0,1,0,0,0,0|2,0,1]=4 1389 B17R2.9167 CC(C)C(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000210198 [0,1,0,0,0,0|2,0,1]=4 1390 B17R2.9167 CC(C)C(=O)Nc1ccc2cnccc2c1 527a_100000039641_100000210198 [0,1,0,0,0,0|2,0,1]=4 1391 B17R2.9167 CC(C)C(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000210198 [0,1,0,0,0,0|2,0,1]=4 1392 B17R2.9167 CC(C)C(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000210198 [0,1,0,0,0,0|2,0,1]=4 1393 B17R2.9167 CC(C)C(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000210198 [0,1,0,0,0,0|2,0,1]=4 1394 B17R2.9167 CC(C)C(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000210198 [0,1,0,0,0,0|2,0,1]=4 1395 B17R2.9167 CC(C)C(C)Nc1ccc2ccccc2n1 27a_100000211541_100011291633 [0,1,0,0,0,0|2,0,0]=3 1396 B17R2.9167 CC(C)C(C)Nc1ccc2cccnc2n1 27a_100000211541_100000075685 [0,1,0,0,0,0|3,0,0]=4 1397 B17R2.9167 CC(C)C(C)Nc1ccc2ccncc2n1 27a_100000211541_100000020162 [0,1,0,0,0,0|3,0,0]=4 1398 B17R2.9167 CC(C)C(C)Nc1ccc2cncnc2c1 27a_100000211541_100010185614 [0,1,0,0,0,0|3,0,0]=4 1399 B17R2.9167 CC(C)C(C)Nc1ccc2ncccc2n1 27a_100000211541_100000073381 [0,1,0,0,0,0|3,0,0]=4 1400 B17R2.9167 CC(C)C(C)Nc1ccc2nccnc2c1 27a_100000211541_100011219451 [0,1,0,0,0,0|3,0,0]=4 1401 B17R2.9167 CC(C)C(C)Nc1cnc2ccccc2n1 27a_100000211541_100000756483 [0,1,0,0,0,0|3,0,0]=4 1402 B17R2.9167 CC(C)C(C)Nc1ncc2ccccc2n1 27a_100000211541_100000097389 [0,1,0,0,0,0|3,0,0]=4 1403 B17R2.9167 CC(C)N(C)Cc1cc2ccccc2cn1 269982a_200000211004_100009869231 [0,1,0,0,0,0|3,0,0]=4 1404 B17R2.9167 CC(C)N(C)Cc1cc2ccccc2cn1 270004a_200000211004_100000059776 [0,1,0,0,0,0|3,0,0]=4 1405 B17R2.9167 CC(C)N(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210206 [0,1,0,0,0,0|2,0,0]=3 1406 B17R2.9167 CC(C)N(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000210206 [0,1,0,0,0,0|2,0,0]=3 1407 B17R2.9167 CC(C)N(C)Cc1ccc2ccccc2c1 269982a_200000211004_100011216711 [0,1,0,0,0,0|2,0,0]=3 1408 B17R2.9167 CC(C)N(C)Cc1ccc2ccccc2c1 270004a_200000211004_100000211584 [0,1,0,0,0,0|2,0,0]=3 1409 B17R2.9167 CC(C)N(C)Cc1ccc2ccccc2n1 270004a_200000211004_100000759686 [0,1,0,0,0,0|3,0,0]=4 1410 B17R2.9167 CC(C)N(C)Cc1ccc2cccnc2c1 270004a_200000211004_100011784159 [0,1,0,0,0,0|3,0,0]=4 1411 B17R2.9167 CC(C)N(C)Cc1ccc2cnccc2c1 269982a_200000211004_100020605334 [0,1,0,0,0,0|3,0,0]=4 1412 B17R2.9167 CC(C)N(C)Cc1ccc2cnccc2c1 270004a_200000211004_100000068276 [0,1,0,0,0,0|3,0,0]=4 1413 B17R2.9167 CC(C)N(C)Cc1ccc2ncccc2c1 2230a_100000207558_100000210206 [0,1,0,0,0,0|3,0,0]=4 1414 B17R2.9167 CC(C)N(C)Cc1ccc2ncccc2c1 269982a_100000207558_100000210206 [0,1,0,0,0,0|3,0,0]=4 1415 B17R2.9167 CC(C)N(C)Cc1ccc2ncccc2c1 269982a_200000211004_100000703657 [0,1,0,0,0,0|3,0,0]=4 1416 B17R2.9167 CC(C)N(C)Cc1ccc2ncccc2c1 270004a_200000211004_100000211315 [0,1,0,0,0,0|3,0,0]=4 1417 B17R2.9167 CC(C)N(C)Cc1cnc2ccccc2c1 2230a_100011875994_100000210206 [0,1,0,0,0,0|3,0,0]=4 1418 B17R2.9167 CC(C)N(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000210206 [0,1,0,0,0,0|3,0,0]=4 1419 B17R2.9167 CC(C)N(C)Cc1cnc2ccccc2c1 270004a_200000211004_100000750898 [0,1,0,0,0,0|3,0,0]=4 1420 B17R2.9167 CC(Cc1ccc2ccccc2n1)N(C)C 270004a_100102631434_100011245913 [0,1,0,0,0,0|3,0,0]=4 1421 B17R2.9167 CC(F)C(=O)Cc1ccc2ccccc2c1 1458a_100000062450_100011216711 [0,1,0,0,0,0|2,0,1]=4 1422 B17R2.9167 CC(F)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000062450 [0,1,0,0,0,0|2,0,1]=4 1423 B17R2.9167 CC(F)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000062450 [0,1,0,0,0,0|2,0,1]=4 1424 B17R2.9167 CC(F)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000062450 [0,1,0,0,0,0|2,0,1]=4 1425 B17R2.9167 CC(F)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000062450 [0,1,0,0,0,0|2,0,1]=4 1426 B17R2.9167 CC(Oc1ccc2ccccc2c1)C(=O)N 34a_100000185828_100000702099 [0,1,0,0,0,0|2,0,1]=4 1427 B17R2.9167 CC(Oc1ccc2ccccc2c1)C(=O)N 7a_100000185828_100000702099 [0,1,0,0,0,0|2,0,1]=4 1428 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 11a_100102631434_100000181716 [0,1,0,0,0,0|2,0,1]=4 1429 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 1626a_100102631434_100000181716 [0,1,0,0,0,0|2,0,1]=4 1430 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 240690a_100102631434_100000181716 [0,1,0,0,0,0|2,0,1]=4 1431 B17R2.9167 CN(C)C(=O)Cc1ccc2ccccc2c1 527a_100102631434_100000181716 [0,1,0,0,0,0|2,0,1]=4 1432 B17R2.9167 CN(C)C(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100102631434 [0,1,0,0,0,0|2,0,1]=4 1433 B17R2.9167 C[C@@H](O)C(=O)Cc1ccc2ccccc2c1 1458a_100000717761_100011216711 [0,1,0,0,0,0|2,0,1]=4 1434 B17R2.9167 C[C@@H](O)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000717761 [0,1,0,0,0,0|2,0,1]=4 1435 B17R2.9167 C[C@H](O)C(=O)Cc1ccc2ccccc2c1 1458a_217856618621_100011216711 [0,1,0,0,0,0|2,0,1]=4 1436 B17R2.9167 C[C@H](O)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_217856618621 [0,1,0,0,0,0|2,0,1]=4 1437 B17R2.9167 C[C@H](O)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_217856618621 [0,1,0,0,0,0|2,0,1]=4 1438 B17R2.9167 NC(=O)C(F)Oc1ccc2ccccc2c1 34a_100000185828_100009813875 [0,1,0,0,0,0|2,0,1]=4 1439 B17R2.9167 NC(=O)C(F)Oc1ccc2ccccc2c1 7a_100000185828_100009813875 [0,1,0,0,0,0|2,0,1]=4 1440 B17R2.9167 O=C([O-])C(F)Oc1ccc2ccccc2c1 34a_100000185828_100020610796 [0,1,0,0,0,0|2,0,1]=4 1441 B17R2.10056 CC(C)(C)C=Cc1cc2ccccc2cn1 271570a_100102527731_100000047361 [0,1,0,0,0,0|2,0,1]=4 1442 B17R2.10056 CC(C)(C)C=Cc1ccc2ccccc2c1 271570a_100102527731_100000233703 [0,1,0,0,0,0|1,0,1]=3 1443 B17R2.10056 CC(C)(C)C=Cc1ccc2ccccc2n1 271570a_100102527731_100011291633 [0,1,0,0,0,0|2,0,1]=4 1444 B17R2.10056 CC(C)(C)C=Cc1ccc2cccnc2c1 271570a_100102527731_100009816655 [0,1,0,0,0,0|2,0,1]=4 1445 B17R2.10056 CC(C)(C)C=Cc1ccc2ccncc2c1 271570a_100102527731_100000686496 [0,1,0,0,0,0|2,0,1]=4 1446 B17R2.10056 CC(C)(C)C=Cc1ccc2cnccc2c1 271570a_100102527731_100009816743 [0,1,0,0,0,0|2,0,1]=4 1447 B17R2.10056 CC(C)(C)C=Cc1ccc2ncccc2c1 271570a_100102527731_100000754243 [0,1,0,0,0,0|2,0,1]=4 1448 B17R2.10056 CC(C)(C)C=Cc1cnc2ccccc2c1 271570a_100102527731_100000737414 [0,1,0,0,0,0|2,0,1]=4 1449 B17R2.10056 CC(C)(C)CNc1ccc2ccccc2c1 34a_100000211940_100011219605 [0,1,0,0,0,0|1,0,0]=2 1450 B17R2.10056 CC(C)(C)CNc1ccc2ccccc2n1 27a_100000743828_100011291633 [0,1,0,0,0,0|2,0,0]=3 1451 B17R2.10056 CC(C)(C)CNc1ccc2cccnc2c1 34a_100102887122_100011219605 [0,1,0,0,0,0|2,0,0]=3 1452 B17R2.10056 CC(C)(C)CNc1ccc2cccnc2n1 27a_100000743828_100000075685 [0,1,0,0,0,0|3,0,0]=4 1453 B17R2.10056 CC(C)(C)CNc1ccc2ccncc2n1 27a_100000743828_100000020162 [0,1,0,0,0,0|3,0,0]=4 1454 B17R2.10056 CC(C)(C)CNc1ccc2cnccc2c1 34a_100000039641_100011219605 [0,1,0,0,0,0|2,0,0]=3 1455 B17R2.10056 CC(C)(C)CNc1ccc2cncnc2c1 27a_100000743828_100010185614 [0,1,0,0,0,0|3,0,0]=4 1456 B17R2.10056 CC(C)(C)CNc1ccc2ncccc2c1 34a_100011198106_100011219605 [0,1,0,0,0,0|2,0,0]=3 1457 B17R2.10056 CC(C)(C)CNc1ccc2ncccc2n1 27a_100000743828_100000073381 [0,1,0,0,0,0|3,0,0]=4 1458 B17R2.10056 CC(C)(C)CNc1ccc2nccnc2c1 27a_100000743828_100011219451 [0,1,0,0,0,0|3,0,0]=4 1459 B17R2.10056 CC(C)(C)CNc1ccc2nccnc2c1 34a_100011219565_100011219605 [0,1,0,0,0,0|3,0,0]=4 1460 B17R2.10056 CC(C)(C)CNc1cnc2ccccc2n1 27a_100000743828_100000756483 [0,1,0,0,0,0|3,0,0]=4 1461 B17R2.10056 CC(C)(C)CNc1ncc2ccccc2n1 27a_100000743828_100000097389 [0,1,0,0,0,0|3,0,0]=4 1462 B17R2.10056 CC(C)(C)COc1ccc2ccccc2c1 34a_100000185828_100011219605 [0,1,0,0,0,0|0,0,0]=1 1463 B17R2.10056 CC(C)(C)COc1ccc2cccnc2c1 34a_100011216045_100011219605 [0,1,0,0,0,0|1,0,0]=2 1464 B17R2.10056 CC(C)(C)COc1ccc2cnccc2c1 34a_100000046372_100011219605 [0,1,0,0,0,0|1,0,0]=2 1465 B17R2.10056 CC(C)(C)COc1ccc2ncccc2c1 34a_100011215586_100011219605 [0,1,0,0,0,0|1,0,0]=2 1466 B17R2.10056 CC(C)(C)COc1ccc2nccnc2c1 34a_100000694412_100011219605 [0,1,0,0,0,0|2,0,0]=3 1467 B17R2.10056 CC(C)(C)COc1cnc2ccccc2c1 34a_100011934006_100011219605 [0,1,0,0,0,0|1,0,0]=2 1468 B17R2.10056 CC(C)(C)CSc1cc2ccccc2cn1 62a_100009816522_100011219605 [0,1,0,0,0,0|1,1,0]=3 1469 B17R2.10056 CC(C)(C)CSc1cc2ccccc2cn1 62a_100011219605_100000047361 [0,1,0,0,0,0|1,1,0]=3 1470 B17R2.10056 CC(C)(C)CSc1ccc2ccccc2c1 62a_100011219605_100000233703 [0,1,0,0,0,0|0,1,0]=2 1471 B17R2.10056 CC(C)(C)CSc1ccc2ccccc2n1 62a_100011219605_100011291633 [0,1,0,0,0,0|1,1,0]=3 1472 B17R2.10056 CC(C)(C)CSc1ccc2ccccc2n1 62a_100011291633_100011219605 [0,1,0,0,0,0|1,1,0]=3 1473 B17R2.10056 CC(C)(C)CSc1ccc2cccnc2c1 62a_100011219605_100009816655 [0,1,0,0,0,0|1,1,0]=3 1474 B17R2.10056 CC(C)(C)CSc1ccc2cccnc2n1 62a_100000075685_100011219605 [0,1,0,0,0,0|2,1,0]=4 1475 B17R2.10056 CC(C)(C)CSc1ccc2cccnc2n1 62a_100011219605_100000075685 [0,1,0,0,0,0|2,1,0]=4 1476 B17R2.10056 CC(C)(C)CSc1ccc2ccncc2c1 62a_100000686496_100011219605 [0,1,0,0,0,0|1,1,0]=3 1477 B17R2.10056 CC(C)(C)CSc1ccc2ccncc2c1 62a_100011219605_100000686496 [0,1,0,0,0,0|1,1,0]=3 1478 B17R2.10056 CC(C)(C)CSc1ccc2ccncc2n1 62a_100011219605_100000020162 [0,1,0,0,0,0|2,1,0]=4 1479 B17R2.10056 CC(C)(C)CSc1ccc2cnccc2c1 62a_100009816743_100011219605 [0,1,0,0,0,0|1,1,0]=3 1480 B17R2.10056 CC(C)(C)CSc1ccc2cnccc2c1 62a_100011219605_100009816743 [0,1,0,0,0,0|1,1,0]=3 1481 B17R2.10056 CC(C)(C)CSc1ccc2cncnc2c1 62a_100010185614_100011219605 [0,1,0,0,0,0|2,1,0]=4 1482 B17R2.10056 CC(C)(C)CSc1ccc2cncnc2c1 62a_100011219605_100010185614 [0,1,0,0,0,0|2,1,0]=4 1483 B17R2.10056 CC(C)(C)CSc1ccc2cnncc2c1 62a_100010198781_100011219605 [0,1,0,0,0,0|2,1,0]=4 1484 B17R2.10056 CC(C)(C)CSc1ccc2cnncc2c1 62a_100011219605_100010198781 [0,1,0,0,0,0|2,1,0]=4 1485 B17R2.10056 CC(C)(C)CSc1ccc2ncccc2c1 62a_100011215947_100011219605 [0,1,0,0,0,0|1,1,0]=3 1486 B17R2.10056 CC(C)(C)CSc1ccc2ncccc2c1 62a_100011219605_100011215947 [0,1,0,0,0,0|1,1,0]=3 1487 B17R2.10056 CC(C)(C)CSc1ccc2ncccc2n1 62a_100011219605_100000073381 [0,1,0,0,0,0|2,1,0]=4 1488 B17R2.10056 CC(C)(C)CSc1ccc2nccnc2c1 62a_100011219451_100011219605 [0,1,0,0,0,0|2,1,0]=4 1489 B17R2.10056 CC(C)(C)CSc1ccc2nccnc2c1 62a_100011219605_100011219451 [0,1,0,0,0,0|2,1,0]=4 1490 B17R2.10056 CC(C)(C)CSc1ccc2ncncc2c1 62a_100009989443_100011219605 [0,1,0,0,0,0|2,1,0]=4 1491 B17R2.10056 CC(C)(C)CSc1ccc2ncncc2c1 62a_100011219605_100009989443 [0,1,0,0,0,0|2,1,0]=4 1492 B17R2.10056 CC(C)(C)CSc1ccc2nnccc2c1 62a_100010209549_100011219605 [0,1,0,0,0,0|2,1,0]=4 1493 B17R2.10056 CC(C)(C)CSc1ccc2nnccc2c1 62a_100011219605_100010209549 [0,1,0,0,0,0|2,1,0]=4 1494 B17R2.10056 CC(C)(C)CSc1cnc2ccccc2c1 62a_100011219605_100000737414 [0,1,0,0,0,0|1,1,0]=3 1495 B17R2.10056 CC(C)(C)CSc1cnc2ccccc2n1 62a_100000756483_100011219605 [0,1,0,0,0,0|2,1,0]=4 1496 B17R2.10056 CC(C)(C)CSc1cnc2ccccc2n1 62a_100011219605_100000756483 [0,1,0,0,0,0|2,1,0]=4 1497 B17R2.10056 CC(C)(C)CSc1cnc2cccnc2c1 62a_100010246316_100011219605 [0,1,0,0,0,0|2,1,0]=4 1498 B17R2.10056 CC(C)(C)CSc1cnc2cccnc2c1 62a_100011219605_100010246316 [0,1,0,0,0,0|2,1,0]=4 1499 B17R2.10056 CC(C)(C)CSc1ncc2ccccc2n1 62a_100011219605_100000097389 [0,1,0,0,0,0|2,1,0]=4 1500 B17R2.10056 CC(C)(C)NCc1cc2ccccc2cn1 207a_100000715429_100000059776 [0,1,0,0,0,0|3,0,0]=4 1501 B17R2.10056 CC(C)(C)NCc1cc2ccccc2cn1 2230a_100000715429_100009869231 [0,1,0,0,0,0|3,0,0]=4 1502 B17R2.10056 CC(C)(C)NCc1ccc2ccccc2c1 207a_100000715429_100000211584 [0,1,0,0,0,0|2,0,0]=3 1503 B17R2.10056 CC(C)(C)NCc1ccc2ccccc2c1 2230a_100000715429_100011216711 [0,1,0,0,0,0|2,0,0]=3 1504 B17R2.10056 CC(C)(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210625 [0,1,0,0,0,0|2,0,0]=3 1505 B17R2.10056 CC(C)(C)NCc1ccc2ccccc2n1 207a_100000715429_100000759686 [0,1,0,0,0,0|3,0,0]=4 1506 B17R2.10056 CC(C)(C)NCc1ccc2ccccc2n1 2230a_100000715429_100000737579 [0,1,0,0,0,0|3,0,0]=4 1507 B17R2.10056 CC(C)(C)NCc1ccc2cccnc2c1 207a_100000715429_100011784159 [0,1,0,0,0,0|3,0,0]=4 1508 B17R2.10056 CC(C)(C)NCc1ccc2cnccc2c1 207a_100000715429_100000068276 [0,1,0,0,0,0|3,0,0]=4 1509 B17R2.10056 CC(C)(C)NCc1ccc2cnccc2c1 2230a_100000715429_100020605334 [0,1,0,0,0,0|3,0,0]=4 1510 B17R2.10056 CC(C)(C)NCc1ccc2ncccc2c1 207a_100000715429_100000211315 [0,1,0,0,0,0|3,0,0]=4 1511 B17R2.10056 CC(C)(C)NCc1ccc2ncccc2c1 2230a_100000715429_100000703657 [0,1,0,0,0,0|3,0,0]=4 1512 B17R2.10056 CC(C)(C)NCc1ccc2ncccc2c1 34a_100000238500_100000210625 [0,1,0,0,0,0|3,0,0]=4 1513 B17R2.10056 CC(C)(C)NCc1cnc2ccccc2c1 207a_100000715429_100000750898 [0,1,0,0,0,0|3,0,0]=4 1514 B17R2.10056 CC(C)(C)NCc1cnc2ccccc2c1 34a_100000742225_100000210625 [0,1,0,0,0,0|3,0,0]=4 1515 B17R2.10056 CC(C)(C)OCc1cc2ccccc2cn1 34a_100015890283_100009869231 [0,1,0,0,0,0|3,0,0]=4 1516 B17R2.10056 CC(C)(C)OCc1cc2ccccc2cn1 7a_100015890283_100009869231 [0,1,0,0,0,0|3,0,0]=4 1517 B17R2.10056 CC(C)(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210625 [0,1,0,0,0,0|2,0,0]=3 1518 B17R2.10056 CC(C)(C)OCc1ccc2ccccc2c1 34a_100015890283_100011216711 [0,1,0,0,0,0|2,0,0]=3 1519 B17R2.10056 CC(C)(C)OCc1ccc2ccccc2c1 7a_100015890283_100011216711 [0,1,0,0,0,0|2,0,0]=3 1520 B17R2.10056 CC(C)(C)OCc1ccc2ccccc2n1 34a_100015890283_100000737579 [0,1,0,0,0,0|3,0,0]=4 1521 B17R2.10056 CC(C)(C)OCc1ccc2ccccc2n1 7a_100015890283_100000737579 [0,1,0,0,0,0|3,0,0]=4 1522 B17R2.10056 CC(C)(C)OCc1ccc2cnccc2c1 34a_100015890283_100020605334 [0,1,0,0,0,0|3,0,0]=4 1523 B17R2.10056 CC(C)(C)OCc1ccc2cnccc2c1 7a_100015890283_100020605334 [0,1,0,0,0,0|3,0,0]=4 1524 B17R2.10056 CC(C)(C)OCc1ccc2ncccc2c1 34a_100011315636_100000210625 [0,1,0,0,0,0|3,0,0]=4 1525 B17R2.10056 CC(C)(C)OCc1ccc2ncccc2c1 34a_100015890283_100000703657 [0,1,0,0,0,0|3,0,0]=4 1526 B17R2.10056 CC(C)(C)OCc1ccc2ncccc2c1 7a_100015890283_100000703657 [0,1,0,0,0,0|3,0,0]=4 1527 B17R2.10056 CC(C)(C)OCc1cnc2ccccc2c1 34a_100011258773_100000210625 [0,1,0,0,0,0|3,0,0]=4 1528 B17R2.10056 CC(C)(C)SCc1cc2ccccc2cn1 62a_100000211941_100009869231 [0,1,0,0,0,0|3,0,0]=4 1529 B17R2.10056 CC(C)(C)SCc1cc2ccccc2cn1 62a_100009869231_100000211941 [0,1,0,0,0,0|3,0,0]=4 1530 B17R2.10056 CC(C)(C)SCc1ccc2ccccc2c1 62a_100000211941_100011216711 [0,1,0,0,0,0|2,0,0]=3 1531 B17R2.10056 CC(C)(C)SCc1ccc2ccccc2c1 62a_100011216711_100000211941 [0,1,0,0,0,0|2,0,0]=3 1532 B17R2.10056 CC(C)(C)SCc1ccc2ccccc2n1 62a_100000211941_100000737579 [0,1,0,0,0,0|3,0,0]=4 1533 B17R2.10056 CC(C)(C)SCc1ccc2ccccc2n1 62a_100000737579_100000211941 [0,1,0,0,0,0|3,0,0]=4 1534 B17R2.10056 CC(C)(C)SCc1ccc2cnccc2c1 62a_100000211941_100020605334 [0,1,0,0,0,0|3,0,0]=4 1535 B17R2.10056 CC(C)(C)SCc1ccc2cnccc2c1 62a_100020605334_100000211941 [0,1,0,0,0,0|3,0,0]=4 1536 B17R2.10056 CC(C)(C)SCc1ccc2ncccc2c1 62a_100000211941_100000703657 [0,1,0,0,0,0|3,0,0]=4 1537 B17R2.10056 CC(C)(C)SCc1ccc2ncccc2c1 62a_100000703657_100000211941 [0,1,0,0,0,0|3,0,0]=4 1538 B17R2.10056 CC(C)(F)CNc1ccc2ccccc2c1 34a_100000211940_100011997219 [0,1,0,0,0,0|1,0,0]=2 1539 B17R2.10056 CC(C)(F)CNc1ccc2ccccc2n1 27a_100020643315_100011291633 [0,1,0,0,0,0|2,0,0]=3 1540 B17R2.10056 CC(C)(F)CNc1ccc2cccnc2c1 34a_100102887122_100011997219 [0,1,0,0,0,0|2,0,0]=3 1541 B17R2.10056 CC(C)(F)CNc1ccc2cccnc2n1 27a_100020643315_100000075685 [0,1,0,0,0,0|3,0,0]=4 1542 B17R2.10056 CC(C)(F)CNc1ccc2ccncc2n1 27a_100020643315_100000020162 [0,1,0,0,0,0|3,0,0]=4 1543 B17R2.10056 CC(C)(F)CNc1ccc2cnccc2c1 34a_100000039641_100011997219 [0,1,0,0,0,0|2,0,0]=3 1544 B17R2.10056 CC(C)(F)CNc1ccc2cncnc2c1 27a_100020643315_100010185614 [0,1,0,0,0,0|3,0,0]=4 1545 B17R2.10056 CC(C)(F)CNc1ccc2ncccc2c1 34a_100011198106_100011997219 [0,1,0,0,0,0|2,0,0]=3 1546 B17R2.10056 CC(C)(F)CNc1ccc2ncccc2n1 27a_100020643315_100000073381 [0,1,0,0,0,0|3,0,0]=4 1547 B17R2.10056 CC(C)(F)CNc1ccc2nccnc2c1 27a_100020643315_100011219451 [0,1,0,0,0,0|3,0,0]=4 1548 B17R2.10056 CC(C)(F)CNc1ccc2nccnc2c1 34a_100011219565_100011997219 [0,1,0,0,0,0|3,0,0]=4 1549 B17R2.10056 CC(C)(F)CNc1cnc2ccccc2n1 27a_100020643315_100000756483 [0,1,0,0,0,0|3,0,0]=4 1550 B17R2.10056 CC(C)(F)CNc1ncc2ccccc2n1 27a_100020643315_100000097389 [0,1,0,0,0,0|3,0,0]=4 1551 B17R2.10056 CC(C)(F)COc1ccc2ccccc2c1 34a_100000185828_100011997219 [0,1,0,0,0,0|0,0,0]=1 1552 B17R2.10056 CC(C)(F)COc1ccc2cccnc2c1 34a_100011216045_100011997219 [0,1,0,0,0,0|1,0,0]=2 1553 B17R2.10056 CC(C)(F)COc1ccc2cnccc2c1 34a_100000046372_100011997219 [0,1,0,0,0,0|1,0,0]=2 1554 B17R2.10056 CC(C)(F)COc1ccc2ncccc2c1 34a_100011215586_100011997219 [0,1,0,0,0,0|1,0,0]=2 1555 B17R2.10056 CC(C)(F)COc1ccc2nccnc2c1 34a_100000694412_100011997219 [0,1,0,0,0,0|2,0,0]=3 1556 B17R2.10056 CC(C)(F)COc1cnc2ccccc2c1 34a_100011934006_100011997219 [0,1,0,0,0,0|1,0,0]=2 1557 B17R2.10056 CC(C)(F)CSc1cc2ccccc2cn1 62a_100009816522_100011997219 [0,1,0,0,0,0|1,1,0]=3 1558 B17R2.10056 CC(C)(F)CSc1cc2ccccc2cn1 62a_100011997219_100000047361 [0,1,0,0,0,0|1,1,0]=3 1559 B17R2.10056 CC(C)(F)CSc1ccc2ccccc2c1 62a_100011997219_100000233703 [0,1,0,0,0,0|0,1,0]=2 1560 B17R2.10056 CC(C)(F)CSc1ccc2ccccc2n1 62a_100011291633_100011997219 [0,1,0,0,0,0|1,1,0]=3 1561 B17R2.10056 CC(C)(F)CSc1ccc2ccccc2n1 62a_100011997219_100011291633 [0,1,0,0,0,0|1,1,0]=3 1562 B17R2.10056 CC(C)(F)CSc1ccc2cccnc2c1 62a_100011997219_100009816655 [0,1,0,0,0,0|1,1,0]=3 1563 B17R2.10056 CC(C)(F)CSc1ccc2cccnc2n1 62a_100000075685_100011997219 [0,1,0,0,0,0|2,1,0]=4 1564 B17R2.10056 CC(C)(F)CSc1ccc2cccnc2n1 62a_100011997219_100000075685 [0,1,0,0,0,0|2,1,0]=4 1565 B17R2.10056 CC(C)(F)CSc1ccc2ccncc2c1 62a_100000686496_100011997219 [0,1,0,0,0,0|1,1,0]=3 1566 B17R2.10056 CC(C)(F)CSc1ccc2ccncc2c1 62a_100011997219_100000686496 [0,1,0,0,0,0|1,1,0]=3 1567 B17R2.10056 CC(C)(F)CSc1ccc2ccncc2n1 62a_100011997219_100000020162 [0,1,0,0,0,0|2,1,0]=4 1568 B17R2.10056 CC(C)(F)CSc1ccc2cnccc2c1 62a_100009816743_100011997219 [0,1,0,0,0,0|1,1,0]=3 1569 B17R2.10056 CC(C)(F)CSc1ccc2cnccc2c1 62a_100011997219_100009816743 [0,1,0,0,0,0|1,1,0]=3 1570 B17R2.10056 CC(C)(F)CSc1ccc2cncnc2c1 62a_100010185614_100011997219 [0,1,0,0,0,0|2,1,0]=4 1571 B17R2.10056 CC(C)(F)CSc1ccc2cncnc2c1 62a_100011997219_100010185614 [0,1,0,0,0,0|2,1,0]=4 1572 B17R2.10056 CC(C)(F)CSc1ccc2cnncc2c1 62a_100010198781_100011997219 [0,1,0,0,0,0|2,1,0]=4 1573 B17R2.10056 CC(C)(F)CSc1ccc2cnncc2c1 62a_100011997219_100010198781 [0,1,0,0,0,0|2,1,0]=4 1574 B17R2.10056 CC(C)(F)CSc1ccc2ncccc2c1 62a_100011215947_100011997219 [0,1,0,0,0,0|1,1,0]=3 1575 B17R2.10056 CC(C)(F)CSc1ccc2ncccc2c1 62a_100011997219_100011215947 [0,1,0,0,0,0|1,1,0]=3 1576 B17R2.10056 CC(C)(F)CSc1ccc2ncccc2n1 62a_100011997219_100000073381 [0,1,0,0,0,0|2,1,0]=4 1577 B17R2.10056 CC(C)(F)CSc1ccc2nccnc2c1 62a_100011219451_100011997219 [0,1,0,0,0,0|2,1,0]=4 1578 B17R2.10056 CC(C)(F)CSc1ccc2nccnc2c1 62a_100011997219_100011219451 [0,1,0,0,0,0|2,1,0]=4 1579 B17R2.10056 CC(C)(F)CSc1ccc2ncncc2c1 62a_100009989443_100011997219 [0,1,0,0,0,0|2,1,0]=4 1580 B17R2.10056 CC(C)(F)CSc1ccc2ncncc2c1 62a_100011997219_100009989443 [0,1,0,0,0,0|2,1,0]=4 1581 B17R2.10056 CC(C)(F)CSc1ccc2nnccc2c1 62a_100010209549_100011997219 [0,1,0,0,0,0|2,1,0]=4 1582 B17R2.10056 CC(C)(F)CSc1ccc2nnccc2c1 62a_100011997219_100010209549 [0,1,0,0,0,0|2,1,0]=4 1583 B17R2.10056 CC(C)(F)CSc1cnc2ccccc2c1 62a_100011997219_100000737414 [0,1,0,0,0,0|1,1,0]=3 1584 B17R2.10056 CC(C)(F)CSc1cnc2ccccc2n1 62a_100000756483_100011997219 [0,1,0,0,0,0|2,1,0]=4 1585 B17R2.10056 CC(C)(F)CSc1cnc2ccccc2n1 62a_100011997219_100000756483 [0,1,0,0,0,0|2,1,0]=4 1586 B17R2.10056 CC(C)(F)CSc1cnc2cccnc2c1 62a_100010246316_100011997219 [0,1,0,0,0,0|2,1,0]=4 1587 B17R2.10056 CC(C)(F)CSc1cnc2cccnc2c1 62a_100011997219_100010246316 [0,1,0,0,0,0|2,1,0]=4 1588 B17R2.10056 CC(C)(F)CSc1ncc2ccccc2n1 62a_100011997219_100000097389 [0,1,0,0,0,0|2,1,0]=4 1589 B17R2.10056 CC(C)(O)C=Cc1cc2ccccc2cn1 271570a_200016258132_100000047361 [0,1,0,0,0,0|2,0,1]=4 1590 B17R2.10056 CC(C)(O)C=Cc1ccc2ccccc2c1 271570a_200016258132_100000233703 [0,1,0,0,0,0|1,0,1]=3 1591 B17R2.10056 CC(C)(O)C=Cc1ccc2ccccc2n1 271570a_200016258132_100011291633 [0,1,0,0,0,0|2,0,1]=4 1592 B17R2.10056 CC(C)(O)C=Cc1ccc2cccnc2c1 271570a_200016258132_100009816655 [0,1,0,0,0,0|2,0,1]=4 1593 B17R2.10056 CC(C)(O)C=Cc1ccc2ccncc2c1 271570a_200016258132_100000686496 [0,1,0,0,0,0|2,0,1]=4 1594 B17R2.10056 CC(C)(O)C=Cc1ccc2cnccc2c1 271570a_200016258132_100009816743 [0,1,0,0,0,0|2,0,1]=4 1595 B17R2.10056 CC(C)(O)C=Cc1ccc2ncccc2c1 271570a_200016258132_100000754243 [0,1,0,0,0,0|2,0,1]=4 1596 B17R2.10056 CC(C)(O)C=Cc1cnc2ccccc2c1 271570a_200016258132_100000737414 [0,1,0,0,0,0|2,0,1]=4 1597 B17R2.10056 CC(C)(O)CNc1ccc2ccccc2c1 34a_100000211940_100000764493 [0,1,0,0,0,0|1,0,0]=2 1598 B17R2.10056 CC(C)(O)CNc1ccc2ccccc2c1 7a_100000211940_100000764493 [0,1,0,0,0,0|1,0,0]=2 1599 B17R2.10056 CC(C)(O)CNc1ccc2ccccc2n1 27a_100000751335_100011291633 [0,1,0,0,0,0|2,0,0]=3 1600 B17R2.10056 CC(C)(O)CNc1ccc2cccnc2c1 34a_100102887122_100000764493 [0,1,0,0,0,0|2,0,0]=3 1601 B17R2.10056 CC(C)(O)CNc1ccc2cccnc2n1 27a_100000751335_100000075685 [0,1,0,0,0,0|3,0,0]=4 1602 B17R2.10056 CC(C)(O)CNc1ccc2ccncc2n1 27a_100000751335_100000020162 [0,1,0,0,0,0|3,0,0]=4 1603 B17R2.10056 CC(C)(O)CNc1ccc2cnccc2c1 34a_100000039641_100000764493 [0,1,0,0,0,0|2,0,0]=3 1604 B17R2.10056 CC(C)(O)CNc1ccc2cncnc2c1 27a_100000751335_100010185614 [0,1,0,0,0,0|3,0,0]=4 1605 B17R2.10056 CC(C)(O)CNc1ccc2ncccc2c1 34a_100011198106_100000764493 [0,1,0,0,0,0|2,0,0]=3 1606 B17R2.10056 CC(C)(O)CNc1ccc2ncccc2n1 27a_100000751335_100000073381 [0,1,0,0,0,0|3,0,0]=4 1607 B17R2.10056 CC(C)(O)CNc1ccc2nccnc2c1 27a_100000751335_100011219451 [0,1,0,0,0,0|3,0,0]=4 1608 B17R2.10056 CC(C)(O)CNc1ccc2nccnc2c1 34a_100011219565_100000764493 [0,1,0,0,0,0|3,0,0]=4 1609 B17R2.10056 CC(C)(O)CNc1cnc2ccccc2n1 27a_100000751335_100000756483 [0,1,0,0,0,0|3,0,0]=4 1610 B17R2.10056 CC(C)(O)CNc1ncc2ccccc2n1 27a_100000751335_100000097389 [0,1,0,0,0,0|3,0,0]=4 1611 B17R2.10056 CC(C)(O)COc1ccc2ccccc2c1 34a_100000185828_100000764493 [0,1,0,0,0,0|0,0,0]=1 1612 B17R2.10056 CC(C)(O)COc1ccc2ccccc2c1 7a_100000185828_100000764493 [0,1,0,0,0,0|0,0,0]=1 1613 B17R2.10056 CC(C)(O)COc1ccc2cccnc2c1 34a_100011216045_100000764493 [0,1,0,0,0,0|1,0,0]=2 1614 B17R2.10056 CC(C)(O)COc1ccc2ccncc2c1 7a_100000752006_100000764493 [0,1,0,0,0,0|1,0,0]=2 1615 B17R2.10056 CC(C)(O)COc1ccc2cnccc2c1 34a_100000046372_100000764493 [0,1,0,0,0,0|1,0,0]=2 1616 B17R2.10056 CC(C)(O)COc1ccc2cnccc2c1 7a_100000046372_100000764493 [0,1,0,0,0,0|1,0,0]=2 1617 B17R2.10056 CC(C)(O)COc1ccc2ncccc2c1 34a_100011215586_100000764493 [0,1,0,0,0,0|1,0,0]=2 1618 B17R2.10056 CC(C)(O)COc1ccc2ncccc2c1 7a_100011215586_100000764493 [0,1,0,0,0,0|1,0,0]=2 1619 B17R2.10056 CC(C)(O)COc1ccc2nccnc2c1 34a_100000694412_100000764493 [0,1,0,0,0,0|2,0,0]=3 1620 B17R2.10056 CC(C)(O)COc1cnc2ccccc2c1 34a_100011934006_100000764493 [0,1,0,0,0,0|1,0,0]=2 1621 B17R2.10056 CC(C)(O)COc1cnc2ccccc2c1 7a_100011934006_100000764493 [0,1,0,0,0,0|1,0,0]=2 1622 B17R2.10056 CC(C)(O)CSc1cc2ccccc2cn1 62a_100000764493_100000047361 [0,1,0,0,0,0|1,1,0]=3 1623 B17R2.10056 CC(C)(O)CSc1cc2ccccc2cn1 62a_100009816522_100000764493 [0,1,0,0,0,0|1,1,0]=3 1624 B17R2.10056 CC(C)(O)CSc1ccc2ccccc2c1 62a_100000764493_100000233703 [0,1,0,0,0,0|0,1,0]=2 1625 B17R2.10056 CC(C)(O)CSc1ccc2ccccc2n1 62a_100000764493_100011291633 [0,1,0,0,0,0|1,1,0]=3 1626 B17R2.10056 CC(C)(O)CSc1ccc2ccccc2n1 62a_100011291633_100000764493 [0,1,0,0,0,0|1,1,0]=3 1627 B17R2.10056 CC(C)(O)CSc1ccc2cccnc2c1 62a_100000764493_100009816655 [0,1,0,0,0,0|1,1,0]=3 1628 B17R2.10056 CC(C)(O)CSc1ccc2cccnc2n1 62a_100000075685_100000764493 [0,1,0,0,0,0|2,1,0]=4 1629 B17R2.10056 CC(C)(O)CSc1ccc2cccnc2n1 62a_100000764493_100000075685 [0,1,0,0,0,0|2,1,0]=4 1630 B17R2.10056 CC(C)(O)CSc1ccc2ccncc2c1 62a_100000686496_100000764493 [0,1,0,0,0,0|1,1,0]=3 1631 B17R2.10056 CC(C)(O)CSc1ccc2ccncc2c1 62a_100000764493_100000686496 [0,1,0,0,0,0|1,1,0]=3 1632 B17R2.10056 CC(C)(O)CSc1ccc2ccncc2n1 62a_100000764493_100000020162 [0,1,0,0,0,0|2,1,0]=4 1633 B17R2.10056 CC(C)(O)CSc1ccc2cnccc2c1 62a_100000764493_100009816743 [0,1,0,0,0,0|1,1,0]=3 1634 B17R2.10056 CC(C)(O)CSc1ccc2cnccc2c1 62a_100009816743_100000764493 [0,1,0,0,0,0|1,1,0]=3 1635 B17R2.10056 CC(C)(O)CSc1ccc2cncnc2c1 62a_100000764493_100010185614 [0,1,0,0,0,0|2,1,0]=4 1636 B17R2.10056 CC(C)(O)CSc1ccc2cncnc2c1 62a_100010185614_100000764493 [0,1,0,0,0,0|2,1,0]=4 1637 B17R2.10056 CC(C)(O)CSc1ccc2cnncc2c1 62a_100000764493_100010198781 [0,1,0,0,0,0|2,1,0]=4 1638 B17R2.10056 CC(C)(O)CSc1ccc2cnncc2c1 62a_100010198781_100000764493 [0,1,0,0,0,0|2,1,0]=4 1639 B17R2.10056 CC(C)(O)CSc1ccc2ncccc2c1 62a_100000764493_100011215947 [0,1,0,0,0,0|1,1,0]=3 1640 B17R2.10056 CC(C)(O)CSc1ccc2ncccc2c1 62a_100011215947_100000764493 [0,1,0,0,0,0|1,1,0]=3 1641 B17R2.10056 CC(C)(O)CSc1ccc2ncccc2n1 62a_100000764493_100000073381 [0,1,0,0,0,0|2,1,0]=4 1642 B17R2.10056 CC(C)(O)CSc1ccc2nccnc2c1 62a_100000764493_100011219451 [0,1,0,0,0,0|2,1,0]=4 1643 B17R2.10056 CC(C)(O)CSc1ccc2nccnc2c1 62a_100011219451_100000764493 [0,1,0,0,0,0|2,1,0]=4 1644 B17R2.10056 CC(C)(O)CSc1ccc2ncncc2c1 62a_100000764493_100009989443 [0,1,0,0,0,0|2,1,0]=4 1645 B17R2.10056 CC(C)(O)CSc1ccc2ncncc2c1 62a_100009989443_100000764493 [0,1,0,0,0,0|2,1,0]=4 1646 B17R2.10056 CC(C)(O)CSc1ccc2nnccc2c1 62a_100000764493_100010209549 [0,1,0,0,0,0|2,1,0]=4 1647 B17R2.10056 CC(C)(O)CSc1ccc2nnccc2c1 62a_100010209549_100000764493 [0,1,0,0,0,0|2,1,0]=4 1648 B17R2.10056 CC(C)(O)CSc1cnc2ccccc2c1 62a_100000764493_100000737414 [0,1,0,0,0,0|1,1,0]=3 1649 B17R2.10056 CC(C)(O)CSc1cnc2ccccc2n1 62a_100000756483_100000764493 [0,1,0,0,0,0|2,1,0]=4 1650 B17R2.10056 CC(C)(O)CSc1cnc2ccccc2n1 62a_100000764493_100000756483 [0,1,0,0,0,0|2,1,0]=4 1651 B17R2.10056 CC(C)(O)CSc1cnc2cccnc2c1 62a_100000764493_100010246316 [0,1,0,0,0,0|2,1,0]=4 1652 B17R2.10056 CC(C)(O)CSc1cnc2cccnc2c1 62a_100010246316_100000764493 [0,1,0,0,0,0|2,1,0]=4 1653 B17R2.10056 CC(C)(O)CSc1ncc2ccccc2n1 62a_100000764493_100000097389 [0,1,0,0,0,0|2,1,0]=4 1654 B17R2.10056 CC(F)(F)CNc1ccc2ccccc2n1 27a_100000731000_100011291633 [0,1,0,0,0,0|3,0,0]=4 1655 B17R2.10056 C[N+](C)(C)CSc1cc2ccccc2cn1 62a_100009816522_200000036245 [0,1,0,0,0,0|2,1,0]=4 1656 B17R2.10056 C[N+](C)(C)CSc1cc2ccccc2cn1 62a_200000036245_100000047361 [0,1,0,0,0,0|2,1,0]=4 1657 B17R2.10056 C[N+](C)(C)CSc1ccc2ccccc2c1 62a_200000036245_100000233703 [0,1,0,0,0,0|1,1,0]=3 1658 B17R2.10056 C[N+](C)(C)CSc1ccc2ccccc2n1 62a_100011291633_200000036245 [0,1,0,0,0,0|2,1,0]=4 1659 B17R2.10056 C[N+](C)(C)CSc1ccc2ccccc2n1 62a_200000036245_100011291633 [0,1,0,0,0,0|2,1,0]=4 1660 B17R2.10056 C[N+](C)(C)CSc1ccc2cccnc2c1 62a_200000036245_100009816655 [0,1,0,0,0,0|2,1,0]=4 1661 B17R2.10056 C[N+](C)(C)CSc1ccc2ccncc2c1 62a_100000686496_200000036245 [0,1,0,0,0,0|2,1,0]=4 1662 B17R2.10056 C[N+](C)(C)CSc1ccc2ccncc2c1 62a_200000036245_100000686496 [0,1,0,0,0,0|2,1,0]=4 1663 B17R2.10056 C[N+](C)(C)CSc1ccc2cnccc2c1 62a_100009816743_200000036245 [0,1,0,0,0,0|2,1,0]=4 1664 B17R2.10056 C[N+](C)(C)CSc1ccc2cnccc2c1 62a_200000036245_100009816743 [0,1,0,0,0,0|2,1,0]=4 1665 B17R2.10056 C[N+](C)(C)CSc1ccc2ncccc2c1 62a_100011215947_200000036245 [0,1,0,0,0,0|2,1,0]=4 1666 B17R2.10056 C[N+](C)(C)CSc1ccc2ncccc2c1 62a_200000036245_100011215947 [0,1,0,0,0,0|2,1,0]=4 1667 B17R2.10056 C[N+](C)(C)CSc1cnc2ccccc2c1 62a_200000036245_100000737414 [0,1,0,0,0,0|2,1,0]=4 1668 B17R2.10056 C[Si](C)(C)C#Cc1ccc2ccccc2c1 271570a_100010171944_100000233703 [0,1,0,0,0,0|1,1,1]=4 1669 B17R2.10056 C[Si](C)(C)CNc1ccc2ccccc2c1 7a_100000211940_100000233785 [0,1,0,0,0,0|1,1,0]=3 1670 B17R2.10056 C[Si](C)(C)CNc1ccc2ccccc2n1 27a_102516607284_100011291633 [0,1,0,0,0,0|2,1,0]=4 1671 B17R2.10056 C[Si](C)(C)COc1ccc2ccccc2c1 7a_100000185828_100000233785 [0,1,0,0,0,0|0,1,0]=2 1672 B17R2.10056 C[Si](C)(C)COc1ccc2ccncc2c1 7a_100000752006_100000233785 [0,1,0,0,0,0|1,1,0]=3 1673 B17R2.10056 C[Si](C)(C)COc1ccc2cnccc2c1 7a_100000046372_100000233785 [0,1,0,0,0,0|1,1,0]=3 1674 B17R2.10056 C[Si](C)(C)COc1ccc2ncccc2c1 7a_100011215586_100000233785 [0,1,0,0,0,0|1,1,0]=3 1675 B17R2.10056 C[Si](C)(C)COc1cnc2ccccc2c1 7a_100011934006_100000233785 [0,1,0,0,0,0|1,1,0]=3 1676 B17R2.10056 C[Si](C)(C)CSc1cc2ccccc2cn1 62a_100000037933_100000047361 [0,1,0,0,0,0|1,2,0]=4 1677 B17R2.10056 C[Si](C)(C)CSc1cc2ccccc2cn1 62a_100009816522_100000037933 [0,1,0,0,0,0|1,2,0]=4 1678 B17R2.10056 C[Si](C)(C)CSc1ccc2ccccc2c1 62a_100000037933_100000233703 [0,1,0,0,0,0|0,2,0]=3 1679 B17R2.10056 C[Si](C)(C)CSc1ccc2ccccc2n1 62a_100000037933_100011291633 [0,1,0,0,0,0|1,2,0]=4 1680 B17R2.10056 C[Si](C)(C)CSc1ccc2ccccc2n1 62a_100011291633_100000037933 [0,1,0,0,0,0|1,2,0]=4 1681 B17R2.10056 C[Si](C)(C)CSc1ccc2cccnc2c1 62a_100000037933_100009816655 [0,1,0,0,0,0|1,2,0]=4 1682 B17R2.10056 C[Si](C)(C)CSc1ccc2ccncc2c1 62a_100000037933_100000686496 [0,1,0,0,0,0|1,2,0]=4 1683 B17R2.10056 C[Si](C)(C)CSc1ccc2ccncc2c1 62a_100000686496_100000037933 [0,1,0,0,0,0|1,2,0]=4 1684 B17R2.10056 C[Si](C)(C)CSc1ccc2cnccc2c1 62a_100000037933_100009816743 [0,1,0,0,0,0|1,2,0]=4 1685 B17R2.10056 C[Si](C)(C)CSc1ccc2cnccc2c1 62a_100009816743_100000037933 [0,1,0,0,0,0|1,2,0]=4 1686 B17R2.10056 C[Si](C)(C)CSc1ccc2ncccc2c1 62a_100000037933_100011215947 [0,1,0,0,0,0|1,2,0]=4 1687 B17R2.10056 C[Si](C)(C)CSc1ccc2ncccc2c1 62a_100011215947_100000037933 [0,1,0,0,0,0|1,2,0]=4 1688 B17R2.10056 C[Si](C)(C)CSc1cnc2ccccc2c1 62a_100000037933_100000737414 [0,1,0,0,0,0|1,2,0]=4 1689 B17R2.10056 FC(F)(F)CSc1ccc2ccccc2c1 62a_100000763148_100000233703 [0,1,0,0,0,0|2,1,0]=4 1690 B17R2.10056 O=S(=O)([O-])COc1ccc2ccccc2c1 34a_100000185828_100009817235 [0,1,0,0,0,0|3,0,0]=4 1691 B17R2.18967 C=C(C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000748629 [0,1,0,0,0,0|1,0,2]=4 1692 B17R2.18967 C=C(C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000748629 [0,1,0,0,0,0|1,0,2]=4 1693 B17R2.18967 C=C(C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000748629 [0,1,0,0,0,0|1,0,2]=4 1694 B17R2.18967 C=C(C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000748629 [0,1,0,0,0,0|1,0,2]=4 1695 B17R2.18967 CC(=O)CC(=O)c1ccc2ccccc2c1 1458a_100000070787_100000211431 [0,1,0,0,0,0|2,0,1]=4 1696 B17R2.18967 CC(C)CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210624 [0,1,0,0,0,0|2,0,1]=4 1697 B17R2.18967 CC(C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210624 [0,1,0,0,0,0|1,0,0]=2 1698 B17R2.18967 CC(C)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210624 [0,1,0,0,0,0|2,0,0]=3 1699 B17R2.18967 CC(C)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210624 [0,1,0,0,0,0|2,0,0]=3 1700 B17R2.18967 CC(C)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210624 [0,1,0,0,0,0|2,0,0]=3 1701 B17R2.18967 CC(C)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210624 [0,1,0,0,0,0|2,0,0]=3 1702 B17R2.18967 CC(C)CC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210624 [0,1,0,0,0,0|3,0,0]=4 1703 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210760 [0,1,0,0,0,0|1,0,0]=2 1704 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210624 [0,1,0,0,0,0|1,0,0]=2 1705 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000210624 [0,1,0,0,0,0|1,0,0]=2 1706 B17R2.18967 CC(C)CN(C)c1ccc2ccccc2n1 27a_100000747067_100011291633 [0,1,0,0,0,0|2,0,0]=3 1707 B17R2.18967 CC(C)CN(C)c1ccc2cccnc2n1 27a_100000747067_100000075685 [0,1,0,0,0,0|3,0,0]=4 1708 B17R2.18967 CC(C)CN(C)c1ccc2ccncc2n1 27a_100000747067_100000020162 [0,1,0,0,0,0|3,0,0]=4 1709 B17R2.18967 CC(C)CN(C)c1ccc2cncnc2c1 27a_100000747067_100010185614 [0,1,0,0,0,0|3,0,0]=4 1710 B17R2.18967 CC(C)CN(C)c1ccc2ncccc2n1 27a_100000747067_100000073381 [0,1,0,0,0,0|3,0,0]=4 1711 B17R2.18967 CC(C)CN(C)c1ccc2nccnc2c1 27a_100000747067_100011219451 [0,1,0,0,0,0|3,0,0]=4 1712 B17R2.18967 CC(C)CN(C)c1cnc2ccccc2n1 27a_100000747067_100000756483 [0,1,0,0,0,0|3,0,0]=4 1713 B17R2.18967 CC(C)CN(C)c1ncc2ccccc2n1 27a_100000747067_100000097389 [0,1,0,0,0,0|3,0,0]=4 1714 B17R2.18967 CC(C)C[C@H](N)c1cc2ccccc2cn1 271570a_100015190218_100000047361 [0,1,0,0,0,0|2,0,0]=3 1715 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccccc2c1 271570a_100015190218_100000233703 [0,1,0,0,0,0|1,0,0]=2 1716 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccccc2n1 271570a_100015190218_100011291633 [0,1,0,0,0,0|2,0,0]=3 1717 B17R2.18967 CC(C)C[C@H](N)c1ccc2cccnc2c1 271570a_100015190218_100009816655 [0,1,0,0,0,0|2,0,0]=3 1718 B17R2.18967 CC(C)C[C@H](N)c1ccc2cccnc2n1 271570a_100015190218_100009888989 [0,1,0,0,0,0|3,0,0]=4 1719 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccncc2c1 271570a_100015190218_100000686496 [0,1,0,0,0,0|2,0,0]=3 1720 B17R2.18967 CC(C)C[C@H](N)c1ccc2ccncc2n1 271570a_100015190218_100000020162 [0,1,0,0,0,0|3,0,0]=4 1721 B17R2.18967 CC(C)C[C@H](N)c1ccc2cnccc2c1 271570a_100015190218_100009816743 [0,1,0,0,0,0|2,0,0]=3 1722 B17R2.18967 CC(C)C[C@H](N)c1ccc2cncnc2c1 271570a_100015190218_100010185614 [0,1,0,0,0,0|3,0,0]=4 1723 B17R2.18967 CC(C)C[C@H](N)c1ccc2cnncc2c1 271570a_100015190218_100010198781 [0,1,0,0,0,0|3,0,0]=4 1724 B17R2.18967 CC(C)C[C@H](N)c1ccc2ncccc2c1 271570a_100015190218_100000754243 [0,1,0,0,0,0|2,0,0]=3 1725 B17R2.18967 CC(C)C[C@H](N)c1ccc2ncccc2n1 271570a_100015190218_100000073381 [0,1,0,0,0,0|3,0,0]=4 1726 B17R2.18967 CC(C)C[C@H](N)c1ccc2nccnc2c1 271570a_100015190218_100011219451 [0,1,0,0,0,0|3,0,0]=4 1727 B17R2.18967 CC(C)C[C@H](N)c1ccc2ncncc2c1 271570a_100015190218_100009989443 [0,1,0,0,0,0|3,0,0]=4 1728 B17R2.18967 CC(C)C[C@H](N)c1ccc2nnccc2c1 271570a_100015190218_100010209549 [0,1,0,0,0,0|3,0,0]=4 1729 B17R2.18967 CC(C)C[C@H](N)c1cnc2ccccc2c1 271570a_100015190218_100000737414 [0,1,0,0,0,0|2,0,0]=3 1730 B17R2.18967 CC(C)C[C@H](N)c1cnc2ccccc2n1 271570a_100015190218_100000756483 [0,1,0,0,0,0|3,0,0]=4 1731 B17R2.18967 CC(C)C[C@H](N)c1cnc2cccnc2c1 271570a_100015190218_100010246316 [0,1,0,0,0,0|3,0,0]=4 1732 B17R2.18967 CC(C)C[C@H](N)c1ncc2ccccc2n1 271570a_100015190218_100000097389 [0,1,0,0,0,0|3,0,0]=4 1733 B17R2.18967 CC(C)NC(=O)c1ccc2ccccc2c1 11a_100138425928_100000210637 [0,1,0,0,0,0|2,0,0]=3 1734 B17R2.18967 CC(C)NC(=O)c1ccc2ccccc2c1 1626a_100138425928_100000210637 [0,1,0,0,0,0|2,0,0]=3 1735 B17R2.18967 CC(C)NC(=O)c1ccc2ccccc2c1 240690a_100138425928_100000210637 [0,1,0,0,0,0|2,0,0]=3 1736 B17R2.18967 CC(C)NC(=O)c1ccc2ccccc2c1 527a_100138425928_100000210637 [0,1,0,0,0,0|2,0,0]=3 1737 B17R2.18967 CC(C)NC(=O)c1ccc2cccnc2c1 11a_100138425928_100011933907 [0,1,0,0,0,0|3,0,0]=4 1738 B17R2.18967 CC(C)NC(=O)c1ccc2cccnc2c1 1626a_100138425928_100011933907 [0,1,0,0,0,0|3,0,0]=4 1739 B17R2.18967 CC(C)NC(=O)c1ccc2cccnc2c1 240690a_100138425928_100011933907 [0,1,0,0,0,0|3,0,0]=4 1740 B17R2.18967 CC(C)NC(=O)c1ccc2cccnc2c1 527a_100138425928_100011933907 [0,1,0,0,0,0|3,0,0]=4 1741 B17R2.18967 CC(C)NC(=O)c1ccc2ccncc2c1 11a_100138425928_100000070124 [0,1,0,0,0,0|3,0,0]=4 1742 B17R2.18967 CC(C)NC(=O)c1ccc2ccncc2c1 1626a_100138425928_100000070124 [0,1,0,0,0,0|3,0,0]=4 1743 B17R2.18967 CC(C)NC(=O)c1ccc2ccncc2c1 240690a_100138425928_100000070124 [0,1,0,0,0,0|3,0,0]=4 1744 B17R2.18967 CC(C)NC(=O)c1ccc2ccncc2c1 527a_100138425928_100000070124 [0,1,0,0,0,0|3,0,0]=4 1745 B17R2.18967 CC(C)NC(=O)c1ccc2cnccc2c1 11a_100138425928_100011935275 [0,1,0,0,0,0|3,0,0]=4 1746 B17R2.18967 CC(C)NC(=O)c1ccc2cnccc2c1 1626a_100138425928_100011935275 [0,1,0,0,0,0|3,0,0]=4 1747 B17R2.18967 CC(C)NC(=O)c1ccc2cnccc2c1 240690a_100138425928_100011935275 [0,1,0,0,0,0|3,0,0]=4 1748 B17R2.18967 CC(C)NC(=O)c1ccc2cnccc2c1 527a_100138425928_100011935275 [0,1,0,0,0,0|3,0,0]=4 1749 B17R2.18967 CC(C)NC(=O)c1ccc2ncccc2c1 11a_100138425928_100011216044 [0,1,0,0,0,0|3,0,0]=4 1750 B17R2.18967 CC(C)NC(=O)c1ccc2ncccc2c1 1626a_100138425928_100011216044 [0,1,0,0,0,0|3,0,0]=4 1751 B17R2.18967 CC(C)NC(=O)c1ccc2ncccc2c1 240690a_100138425928_100011216044 [0,1,0,0,0,0|3,0,0]=4 1752 B17R2.18967 CC(C)NC(=O)c1ccc2ncccc2c1 527a_100138425928_100011216044 [0,1,0,0,0,0|3,0,0]=4 1753 B17R2.18967 CC(C)NC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210206 [0,1,0,0,0,0|2,0,0]=3 1754 B17R2.18967 CC(C)OC(C)c1ccc2ccccc2c1 34a_100011215343_100000210206 [0,1,0,0,0,0|2,0,0]=3 1755 B17R2.18967 CC(C)OC(C)c1ccc2ccccc2c1 7a_100011215343_100000210206 [0,1,0,0,0,0|2,0,0]=3 1756 B17R2.18967 CC(O)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011218427 [0,1,0,0,0,0|2,0,0]=3 1757 B17R2.18967 CC(O)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011218427 [0,1,0,0,0,0|3,0,0]=4 1758 B17R2.18967 CC(O)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100011218427 [0,1,0,0,0,0|3,0,0]=4 1759 B17R2.18967 CC(O)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100011218427 [0,1,0,0,0,0|3,0,0]=4 1760 B17R2.18967 CC(O)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011218427 [0,1,0,0,0,0|3,0,0]=4 1761 B17R2.18967 CC(O)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218427 [0,1,0,0,0,0|2,0,0]=3 1762 B17R2.18967 CC(O)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218427 [0,1,0,0,0,0|2,0,0]=3 1763 B17R2.18967 CC(O)CN(C)c1ccc2ccccc2c1 34a_100000181211_100011218427 [0,1,0,0,0,0|2,0,0]=3 1764 B17R2.18967 CC(O)CN(C)c1ccc2ccccc2n1 27a_100000227577_100011291633 [0,1,0,0,0,0|3,0,0]=4 1765 B17R2.18967 CN(C)CC(=O)c1ccc2ccccc2c1 2230a_100102631434_100000211431 [0,1,0,0,0,0|2,0,0]=3 1766 B17R2.18967 CN(C)CC(=O)c1ccc2ccccc2c1 269982a_100102631434_100000211431 [0,1,0,0,0,0|2,0,0]=3 1767 B17R2.18967 CN(CC(F)F)c1ccc2ccccc2c1 2230a_100000181211_100011934356 [0,1,0,0,0,0|3,0,0]=4 1768 B17R2.18967 CN(CC(F)F)c1ccc2ccccc2c1 269982a_100000181211_100011934356 [0,1,0,0,0,0|3,0,0]=4 1769 B17R2.18967 CN(CC(F)F)c1ccc2ccccc2c1 34a_100000181211_100011934356 [0,1,0,0,0,0|3,0,0]=4 1770 B17R2.18967 C[C@@H](O)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100009817552 [0,1,0,0,0,0|2,0,0]=3 1771 B17R2.18967 C[C@@H](O)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100009817552 [0,1,0,0,0,0|2,0,0]=3 1772 B17R2.18967 C[C@@H](O)CN(C)c1ccc2ccccc2c1 34a_100000181211_100009817552 [0,1,0,0,0,0|2,0,0]=3 1773 B17R2.18967 O=C(CC(F)F)c1ccc2ccccc2c1 1458a_100000210637_100011934356 [0,1,0,0,0,0|3,0,0]=4 1774 B17R2.19729 C=C(C)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000748629 [0,1,0,0,0,0|1,0,2]=4 1775 B17R2.19729 C=C(C)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000748629 [0,1,0,0,0,0|1,0,2]=4 1776 B17R2.19729 C=C(C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000748629 [0,1,0,0,0,0|1,0,2]=4 1777 B17R2.19729 C=C(C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000748629 [0,1,0,0,0,0|1,0,2]=4 1778 B17R2.19729 C=C(C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000748629 [0,1,0,0,0,0|1,0,2]=4 1779 B17R2.19729 C=C(C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000748629 [0,1,0,0,0,0|1,0,2]=4 1780 B17R2.19729 C=C(C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000748629 [0,1,0,0,0,0|1,0,2]=4 1781 B17R2.19729 C=C(C)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000748629 [0,1,0,0,0,0|0,0,2]=3 1782 B17R2.19729 C=C(C)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000748629 [0,1,0,0,0,0|0,0,2]=3 1783 B17R2.19729 C=C(C)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000748629 [0,1,0,0,0,0|0,0,2]=3 1784 B17R2.19729 C=C(C)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000748629 [0,1,0,0,0,0|0,0,2]=3 1785 B17R2.19729 C=C(C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000748629 [0,1,0,0,0,0|0,0,2]=3 1786 B17R2.19729 C=C(C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000748629 [0,1,0,0,0,0|0,0,2]=3 1787 B17R2.19729 C=C(C)COc1ccc2ccc(nc2c1)C 34a_100009867695_100000748629 [0,1,0,0,0,0|1,0,2]=4 1788 B17R2.19729 C=C(C)COc1ccc2ccc(nc2c1)C 7a_100009867695_100000748629 [0,1,0,0,0,0|1,0,2]=4 1789 B17R2.19729 C=C(C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000748629 [0,1,0,0,0,0|1,0,2]=4 1790 B17R2.19729 C=C(C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000748629 [0,1,0,0,0,0|1,0,2]=4 1791 B17R2.19729 C=C(C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000748629 [0,1,0,0,0,0|1,0,2]=4 1792 B17R2.19729 C=C(C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000748629 [0,1,0,0,0,0|1,0,2]=4 1793 B17R2.19729 C=C(C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000748629 [0,1,0,0,0,0|1,0,2]=4 1794 B17R2.19729 C=C(C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000748629 [0,1,0,0,0,0|1,0,2]=4 1795 B17R2.19729 C=C(C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000748629 [0,1,0,0,0,0|1,0,2]=4 1796 B17R2.19729 C=C(C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000748629 [0,1,0,0,0,0|1,0,2]=4 1797 B17R2.19729 C=C(C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000748629 [0,1,0,0,0,0|1,0,2]=4 1798 B17R2.19729 C=C(C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000748629 [0,1,0,0,0,0|1,0,2]=4 1799 B17R2.19729 C=C(C)CSc1ccc2ccc(cc2c1)N 62a_100000748629_100010090036 [0,1,0,0,0,0|0,1,2]=4 1800 B17R2.19729 C=C(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000211660 [0,1,0,0,0,0|0,1,2]=4 1801 B17R2.19729 C=C(C)CSc1ccc2ccc(cc2c1)O 62a_100000748629_100009816537 [0,1,0,0,0,0|0,1,2]=4 1802 B17R2.19729 C=C(F)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100009893438 [0,1,0,0,0,0|1,0,2]=4 1803 B17R2.19729 C=C(F)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000042424 [0,1,0,0,0,0|1,0,2]=4 1804 B17R2.19729 C=C(F)COc1ccc2ccc(cc2c1)C 34a_100000091598_100009893438 [0,1,0,0,0,0|1,0,2]=4 1805 B17R2.19729 C=C(F)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000042424 [0,1,0,0,0,0|1,0,2]=4 1806 B17R2.19729 C=C(F)COc1ccc2ccc(cc2c1)N 34a_100015378740_100009893438 [0,1,0,0,0,0|1,0,2]=4 1807 B17R2.19729 C=C(F)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000042424 [0,1,0,0,0,0|1,0,2]=4 1808 B17R2.19729 CC(=O)COc1ccc2ccc(=O)oc2c1 1458a_100000009627_200000210301 [0,1,0,0,0,0|2,0,1]=4 1809 B17R2.19729 CC(C)C=Cc1cc2cc(ccc2cn1)F 271570a_100016257149_100009828686 [0,1,0,0,0,0|2,0,1]=4 1810 B17R2.19729 CC(C)C=Cc1ccc2cc[n+](cc2c1)[O-] 271570a_100016257149_100009816120 [0,1,0,0,0,0|2,0,1]=4 1811 B17R2.19729 CC(C)C=Cc1ccc2ccc(=O)oc2c1 271570a_100016257149_100009993525 [0,1,0,0,0,0|2,0,1]=4 1812 B17R2.19729 CC(C)C=Cc1ccc2ccc(cc2c1)N 271570a_100016257149_100010090036 [0,1,0,0,0,0|1,0,1]=3 1813 B17R2.19729 CC(C)C=Cc1ccc2ccc(cc2c1)O 271570a_100016257149_100009816537 [0,1,0,0,0,0|1,0,1]=3 1814 B17R2.19729 CC(C)C=Cc1ccc2ccc(cc2n1)O 271570a_100016257149_100000079174 [0,1,0,0,0,0|2,0,1]=4 1815 B17R2.19729 CC(C)C=Cc1ccc2ccc(nc2c1)N 271570a_100016257149_100010187616 [0,1,0,0,0,0|2,0,1]=4 1816 B17R2.19729 CC(C)C=Cc1ccc2ccc(nc2c1)O 271570a_100016257149_100000690401 [0,1,0,0,0,0|2,0,1]=4 1817 B17R2.19729 CC(C)C=Cc1ccc2cnc(cc2c1)F 271570a_100016257149_100010291885 [0,1,0,0,0,0|2,0,1]=4 1818 B17R2.19729 CC(C)C=Cc1ccc2cnc(cc2c1)N 271570a_100016257149_100009817123 [0,1,0,0,0,0|2,0,1]=4 1819 B17R2.19729 CC(C)C=Cc1ccc2cnc(cc2c1)O 271570a_100016257149_100009817130 [0,1,0,0,0,0|2,0,1]=4 1820 B17R2.19729 CC(C)C=Cc1ccc2ncc(cc2c1)Br 271570a_100016257149_200010254249 [0,1,0,0,0,0|2,0,1]=4 1821 B17R2.19729 CC(C)C=Cc1ccc2ncc(cc2c1)O 271570a_100016257149_100000703654 [0,1,0,0,0,0|2,0,1]=4 1822 B17R2.19729 CC(C)C=Cc1cnc2ccc(cc2c1)Br 271570a_100016257149_100010740133 [0,1,0,0,0,0|2,0,1]=4 1823 B17R2.19729 CC(C)C=Cc1cnc2ccc(cc2c1)Cl 271570a_100016257149_100015929906 [0,1,0,0,0,0|2,0,1]=4 1824 B17R2.19729 CC(C)C=Cc1cnc2ccc(cc2c1)N 271570a_100016257149_100009888932 [0,1,0,0,0,0|2,0,1]=4 1825 B17R2.19729 CC(C)C=Cc1cnc2ccc(cc2c1)O 271570a_100016257149_100010137430 [0,1,0,0,0,0|2,0,1]=4 1826 B17R2.19729 CC(C)CNc1cc2[nH]c(=O)ccc2cn1 27a_100000210953_100010563892 [0,1,0,0,0,0|3,0,0]=4 1827 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210624 [0,1,0,0,0,0|1,0,0]=2 1828 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210760 [0,1,0,0,0,0|1,0,0]=2 1829 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210624 [0,1,0,0,0,0|1,0,0]=2 1830 B17R2.19729 CC(C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210760 [0,1,0,0,0,0|1,0,0]=2 1831 B17R2.19729 CC(C)CNc1ccc2cnc(nc2c1)N 27a_100000210953_100010199760 [0,1,0,0,0,0|3,0,0]=4 1832 B17R2.19729 CC(C)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210624 [0,1,0,0,0,0|2,0,0]=3 1833 B17R2.19729 CC(C)CNc1ccc2ncc(cc2n1)F 27a_100000210953_100009889179 [0,1,0,0,0,0|3,0,0]=4 1834 B17R2.19729 CC(C)CNc1cnc2ccc(cc2n1)O 27a_100000210953_200020640061 [0,1,0,0,0,0|3,0,0]=4 1835 B17R2.19729 CC(C)CNc1ncc2ccc(cc2n1)F 27a_100000210953_100000104070 [0,1,0,0,0,0|3,0,0]=4 1836 B17R2.19729 CC(C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000210624 [0,1,0,0,0,0|1,0,0]=2 1837 B17R2.19729 CC(C)COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_100000210624 [0,1,0,0,0,0|0,0,3]=4 1838 B17R2.19729 CC(C)COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_100000210760 [0,1,0,0,0,0|0,0,3]=4 1839 B17R2.19729 CC(C)COc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100000210624 [0,1,0,0,0,0|1,0,2]=4 1840 B17R2.19729 CC(C)COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210624 [0,1,0,0,0,0|2,0,1]=4 1841 B17R2.19729 CC(C)COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_100000210760 [0,1,0,0,0,0|1,0,2]=4 1842 B17R2.19729 CC(C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210624 [0,1,0,0,0,0|1,0,0]=2 1843 B17R2.19729 CC(C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210760 [0,1,0,0,0,0|1,0,0]=2 1844 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210624 [0,1,0,0,0,0|0,0,0]=1 1845 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210760 [0,1,0,0,0,0|0,0,0]=1 1846 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000210624 [0,1,0,0,0,0|0,0,0]=1 1847 B17R2.19729 CC(C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000210760 [0,1,0,0,0,0|0,0,0]=1 1848 B17R2.19729 CC(C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210624 [0,1,0,0,0,0|1,0,0]=2 1849 B17R2.19729 CC(C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210760 [0,1,0,0,0,0|1,0,0]=2 1850 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210624 [0,1,0,0,0,0|1,0,0]=2 1851 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210760 [0,1,0,0,0,0|1,0,0]=2 1852 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210624 [0,1,0,0,0,0|1,0,0]=2 1853 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210760 [0,1,0,0,0,0|1,0,0]=2 1854 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000210624 [0,1,0,0,0,0|1,0,0]=2 1855 B17R2.19729 CC(C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000210760 [0,1,0,0,0,0|1,0,0]=2 1856 B17R2.19729 CC(C)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210624 [0,1,0,0,0,0|2,0,0]=3 1857 B17R2.19729 CC(C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210624 [0,1,0,0,0,0|1,0,0]=2 1858 B17R2.19729 CC(C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210760 [0,1,0,0,0,0|1,0,0]=2 1859 B17R2.19729 CC(C)CSc1cc2[nH]c(=O)ccc2cn1 62a_100000210624_100010563892 [0,1,0,0,0,0|2,1,0]=4 1860 B17R2.19729 CC(C)CSc1cc2cc(ccc2cn1)F 62a_100000210624_100009828686 [0,1,0,0,0,0|1,1,0]=3 1861 B17R2.19729 CC(C)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210760 [0,1,0,0,0,0|1,1,0]=3 1862 B17R2.19729 CC(C)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210624_100009816120 [0,1,0,0,0,0|1,1,0]=3 1863 B17R2.19729 CC(C)CSc1ccc2ccc(=O)oc2c1 62a_100000210624_100009993525 [0,1,0,0,0,0|1,1,0]=3 1864 B17R2.19729 CC(C)CSc1ccc2ccc(cc2c1)N 62a_100000210624_100010090036 [0,1,0,0,0,0|0,1,0]=2 1865 B17R2.19729 CC(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210760 [0,1,0,0,0,0|0,1,0]=2 1866 B17R2.19729 CC(C)CSc1ccc2ccc(cc2c1)O 62a_100000210624_100009816537 [0,1,0,0,0,0|0,1,0]=2 1867 B17R2.19729 CC(C)CSc1ccc2ccc(cc2n1)O 62a_100000210624_100000079174 [0,1,0,0,0,0|1,1,0]=3 1868 B17R2.19729 CC(C)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210760 [0,1,0,0,0,0|1,1,0]=3 1869 B17R2.19729 CC(C)CSc1ccc2ccc(nc2c1)O 62a_100000210624_100000690401 [0,1,0,0,0,0|1,1,0]=3 1870 B17R2.19729 CC(C)CSc1ccc2ccc(nc2n1)N 62a_100000117679_100000210760 [0,1,0,0,0,0|2,1,0]=4 1871 B17R2.19729 CC(C)CSc1ccc2ccc(nc2n1)N 62a_100000210624_100000117679 [0,1,0,0,0,0|2,1,0]=4 1872 B17R2.19729 CC(C)CSc1ccc2ccc(nc2n1)O 62a_100000210624_200010218124 [0,1,0,0,0,0|2,1,0]=4 1873 B17R2.19729 CC(C)CSc1ccc2cnc(cc2c1)F 62a_100000210624_100010291885 [0,1,0,0,0,0|1,1,0]=3 1874 B17R2.19729 CC(C)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210760 [0,1,0,0,0,0|1,1,0]=3 1875 B17R2.19729 CC(C)CSc1ccc2cnc(cc2c1)N 62a_100000210624_100009817123 [0,1,0,0,0,0|1,1,0]=3 1876 B17R2.19729 CC(C)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210760 [0,1,0,0,0,0|1,1,0]=3 1877 B17R2.19729 CC(C)CSc1ccc2cnc(cc2c1)O 62a_100000210624_100009817130 [0,1,0,0,0,0|1,1,0]=3 1878 B17R2.19729 CC(C)CSc1ccc2cnc(nc2c1)N 62a_100000210624_100010199760 [0,1,0,0,0,0|2,1,0]=4 1879 B17R2.19729 CC(C)CSc1ccc2cnc(nc2c1)N 62a_100010199760_100000210760 [0,1,0,0,0,0|2,1,0]=4 1880 B17R2.19729 CC(C)CSc1ccc2ncc(cc2c1)Br 62a_100000210624_200010254249 [0,1,0,0,0,0|1,1,0]=3 1881 B17R2.19729 CC(C)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210760 [0,1,0,0,0,0|1,1,0]=3 1882 B17R2.19729 CC(C)CSc1ccc2ncc(cc2c1)O 62a_100000210624_100000703654 [0,1,0,0,0,0|1,1,0]=3 1883 B17R2.19729 CC(C)CSc1ccc2ncc(cc2n1)F 62a_100000210624_100009889179 [0,1,0,0,0,0|2,1,0]=4 1884 B17R2.19729 CC(C)CSc1ccc2ncc(cc2n1)F 62a_100009889179_100000210760 [0,1,0,0,0,0|2,1,0]=4 1885 B17R2.19729 CC(C)CSc1ccc2ncc(nc2c1)N 62a_100000210624_100010090528 [0,1,0,0,0,0|2,1,0]=4 1886 B17R2.19729 CC(C)CSc1ccc2ncc(nc2c1)N 62a_100010090528_100000210760 [0,1,0,0,0,0|2,1,0]=4 1887 B17R2.19729 CC(C)CSc1ccc2ncc(nc2c1)O 62a_100000210624_100010000190 [0,1,0,0,0,0|2,1,0]=4 1888 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)Br 62a_100000210624_100010740133 [0,1,0,0,0,0|1,1,0]=3 1889 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210760 [0,1,0,0,0,0|1,1,0]=3 1890 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)Cl 62a_100000210624_100015929906 [0,1,0,0,0,0|1,1,0]=3 1891 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210760 [0,1,0,0,0,0|1,1,0]=3 1892 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)N 62a_100000210624_100009888932 [0,1,0,0,0,0|1,1,0]=3 1893 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210760 [0,1,0,0,0,0|1,1,0]=3 1894 B17R2.19729 CC(C)CSc1cnc2ccc(cc2c1)O 62a_100000210624_100010137430 [0,1,0,0,0,0|1,1,0]=3 1895 B17R2.19729 CC(C)CSc1cnc2ccc(cc2n1)O 62a_100000210624_200020640061 [0,1,0,0,0,0|2,1,0]=4 1896 B17R2.19729 CC(C)CSc1cnc2ccc(nc2c1)O 62a_100000210624_100010009477 [0,1,0,0,0,0|2,1,0]=4 1897 B17R2.19729 CC(C)CSc1ncc2ccc(cc2n1)F 62a_100000104070_100000210760 [0,1,0,0,0,0|2,1,0]=4 1898 B17R2.19729 CC(C)CSc1ncc2ccc(cc2n1)F 62a_100000210624_100000104070 [0,1,0,0,0,0|2,1,0]=4 1899 B17R2.19729 CC(C)NCc1ccc2ccc(cc2c1)Br 207a_100138425928_100010200085 [0,1,0,0,0,0|2,0,0]=3 1900 B17R2.19729 CC(C)NCc1ccc2ccc(cc2n1)Cl 207a_100138425928_100000083681 [0,1,0,0,0,0|3,0,0]=4 1901 B17R2.19729 CC(C)NCc1ccc2ccc(cc2n1)Cl 2230a_100138425928_100010196396 [0,1,0,0,0,0|3,0,0]=4 1902 B17R2.19729 CC(C)NCc1ccc2ccc(cc2n1)Cl 34a_100138425928_100010196396 [0,1,0,0,0,0|3,0,0]=4 1903 B17R2.19729 CC(C)NCc1cnc2ccc(cc2c1)Br 207a_100138425928_100010174008 [0,1,0,0,0,0|3,0,0]=4 1904 B17R2.19729 CC(C)NCc1cnc2ccc(cc2c1)Cl 207a_100138425928_200000110299 [0,1,0,0,0,0|3,0,0]=4 1905 B17R2.19729 CC(C)OCc1ccc2ccc(cc2n1)Cl 34a_100000212225_100010196396 [0,1,0,0,0,0|3,0,0]=4 1906 B17R2.19729 CC(C)SCc1ccc2ccc(cc2n1)Cl 62a_100000210206_100010196396 [0,1,0,0,0,0|3,0,0]=4 1907 B17R2.19729 CC(C)SCc1ccc2ccc(cc2n1)Cl 62a_100010196396_100000210206 [0,1,0,0,0,0|3,0,0]=4 1908 B17R2.19729 CC(O)C=Cc1ccc2ccc(cc2c1)N 271570a_200011019289_100010090036 [0,1,0,0,0,0|2,0,1]=4 1909 B17R2.19729 CC(O)C=Cc1ccc2ccc(cc2c1)O 271570a_200011019289_100009816537 [0,1,0,0,0,0|2,0,1]=4 1910 B17R2.19729 CC(O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011218427 [0,1,0,0,0,0|2,0,0]=3 1911 B17R2.19729 CC(O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011218427 [0,1,0,0,0,0|2,0,0]=3 1912 B17R2.19729 CC(O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011218427 [0,1,0,0,0,0|2,0,0]=3 1913 B17R2.19729 CC(O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100011218427 [0,1,0,0,0,0|2,0,0]=3 1914 B17R2.19729 CC(O)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011218427 [0,1,0,0,0,0|3,0,0]=4 1915 B17R2.19729 CC(O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011218427 [0,1,0,0,0,0|2,0,0]=3 1916 B17R2.19729 CC(O)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100011218427 [0,1,0,0,0,0|2,0,0]=3 1917 B17R2.19729 CC(O)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100011218427 [0,1,0,0,0,0|2,0,0]=3 1918 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218427 [0,1,0,0,0,0|1,0,0]=2 1919 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011218427 [0,1,0,0,0,0|1,0,0]=2 1920 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100011218427 [0,1,0,0,0,0|1,0,0]=2 1921 B17R2.19729 CC(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100011218427 [0,1,0,0,0,0|1,0,0]=2 1922 B17R2.19729 CC(O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011218427 [0,1,0,0,0,0|2,0,0]=3 1923 B17R2.19729 CC(O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011218427 [0,1,0,0,0,0|2,0,0]=3 1924 B17R2.19729 CC(O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011218427 [0,1,0,0,0,0|2,0,0]=3 1925 B17R2.19729 CC(O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100011218427 [0,1,0,0,0,0|2,0,0]=3 1926 B17R2.19729 CC(O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011218427 [0,1,0,0,0,0|2,0,0]=3 1927 B17R2.19729 CC(O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011218427 [0,1,0,0,0,0|2,0,0]=3 1928 B17R2.19729 CC(O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011218427 [0,1,0,0,0,0|2,0,0]=3 1929 B17R2.19729 CC(O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100011218427 [0,1,0,0,0,0|2,0,0]=3 1930 B17R2.19729 CC(O)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011218427 [0,1,0,0,0,0|3,0,0]=4 1931 B17R2.19729 CC(O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011218427 [0,1,0,0,0,0|2,0,0]=3 1932 B17R2.19729 CC(O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100011218427 [0,1,0,0,0,0|2,0,0]=3 1933 B17R2.19729 CC(O)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100011218427 [0,1,0,0,0,0|2,1,0]=4 1934 B17R2.19729 CC(O)CSc1cc2cc(ccc2cn1)F 62a_100011218427_100009828686 [0,1,0,0,0,0|2,1,0]=4 1935 B17R2.19729 CC(O)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100011218427_100009816120 [0,1,0,0,0,0|2,1,0]=4 1936 B17R2.19729 CC(O)CSc1ccc2ccc(=O)oc2c1 62a_100011218427_100009993525 [0,1,0,0,0,0|2,1,0]=4 1937 B17R2.19729 CC(O)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100011218427 [0,1,0,0,0,0|1,1,0]=3 1938 B17R2.19729 CC(O)CSc1ccc2ccc(cc2c1)N 62a_100011218427_100010090036 [0,1,0,0,0,0|1,1,0]=3 1939 B17R2.19729 CC(O)CSc1ccc2ccc(cc2c1)O 62a_100011218427_100009816537 [0,1,0,0,0,0|1,1,0]=3 1940 B17R2.19729 CC(O)CSc1ccc2ccc(cc2n1)O 62a_100011218427_100000079174 [0,1,0,0,0,0|2,1,0]=4 1941 B17R2.19729 CC(O)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100011218427 [0,1,0,0,0,0|2,1,0]=4 1942 B17R2.19729 CC(O)CSc1ccc2ccc(nc2c1)O 62a_100011218427_100000690401 [0,1,0,0,0,0|2,1,0]=4 1943 B17R2.19729 CC(O)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100011218427 [0,1,0,0,0,0|2,1,0]=4 1944 B17R2.19729 CC(O)CSc1ccc2cnc(cc2c1)F 62a_100011218427_100010291885 [0,1,0,0,0,0|2,1,0]=4 1945 B17R2.19729 CC(O)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100011218427 [0,1,0,0,0,0|2,1,0]=4 1946 B17R2.19729 CC(O)CSc1ccc2cnc(cc2c1)N 62a_100011218427_100009817123 [0,1,0,0,0,0|2,1,0]=4 1947 B17R2.19729 CC(O)CSc1ccc2cnc(cc2c1)O 62a_100011218427_100009817130 [0,1,0,0,0,0|2,1,0]=4 1948 B17R2.19729 CC(O)CSc1ccc2ncc(cc2c1)Br 62a_100011218427_200010254249 [0,1,0,0,0,0|2,1,0]=4 1949 B17R2.19729 CC(O)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011218427 [0,1,0,0,0,0|2,1,0]=4 1950 B17R2.19729 CC(O)CSc1ccc2ncc(cc2c1)O 62a_100011218427_100000703654 [0,1,0,0,0,0|2,1,0]=4 1951 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011218427 [0,1,0,0,0,0|2,1,0]=4 1952 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)Br 62a_100011218427_100010740133 [0,1,0,0,0,0|2,1,0]=4 1953 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)Cl 62a_100011218427_100015929906 [0,1,0,0,0,0|2,1,0]=4 1954 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011218427 [0,1,0,0,0,0|2,1,0]=4 1955 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100011218427 [0,1,0,0,0,0|2,1,0]=4 1956 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)N 62a_100011218427_100009888932 [0,1,0,0,0,0|2,1,0]=4 1957 B17R2.19729 CC(O)CSc1cnc2ccc(cc2c1)O 62a_100011218427_100010137430 [0,1,0,0,0,0|2,1,0]=4 1958 B17R2.19729 C[C@@H](O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100009817552 [0,1,0,0,0,0|2,0,0]=3 1959 B17R2.19729 C[C@@H](O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100009817552 [0,1,0,0,0,0|2,0,0]=3 1960 B17R2.19729 C[C@@H](O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100009817552 [0,1,0,0,0,0|2,0,0]=3 1961 B17R2.19729 C[C@@H](O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100009817552 [0,1,0,0,0,0|2,0,0]=3 1962 B17R2.19729 C[C@@H](O)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100009817552 [0,1,0,0,0,0|3,0,0]=4 1963 B17R2.19729 C[C@@H](O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100009817552 [0,1,0,0,0,0|2,0,0]=3 1964 B17R2.19729 C[C@@H](O)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100009817552 [0,1,0,0,0,0|2,0,0]=3 1965 B17R2.19729 C[C@@H](O)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100009817552 [0,1,0,0,0,0|2,0,0]=3 1966 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100009817552 [0,1,0,0,0,0|1,0,0]=2 1967 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100009817552 [0,1,0,0,0,0|1,0,0]=2 1968 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100009817552 [0,1,0,0,0,0|1,0,0]=2 1969 B17R2.19729 C[C@@H](O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100009817552 [0,1,0,0,0,0|1,0,0]=2 1970 B17R2.19729 C[C@@H](O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009817552 [0,1,0,0,0,0|2,0,0]=3 1971 B17R2.19729 C[C@@H](O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009817552 [0,1,0,0,0,0|2,0,0]=3 1972 B17R2.19729 C[C@@H](O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100009817552 [0,1,0,0,0,0|2,0,0]=3 1973 B17R2.19729 C[C@@H](O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100009817552 [0,1,0,0,0,0|2,0,0]=3 1974 B17R2.19729 C[C@@H](O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009817552 [0,1,0,0,0,0|2,0,0]=3 1975 B17R2.19729 C[C@@H](O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009817552 [0,1,0,0,0,0|2,0,0]=3 1976 B17R2.19729 C[C@@H](O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100009817552 [0,1,0,0,0,0|2,0,0]=3 1977 B17R2.19729 C[C@@H](O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100009817552 [0,1,0,0,0,0|2,0,0]=3 1978 B17R2.19729 C[C@@H](O)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100009817552 [0,1,0,0,0,0|3,0,0]=4 1979 B17R2.19729 C[C@@H](O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100009817552 [0,1,0,0,0,0|2,0,0]=3 1980 B17R2.19729 C[C@@H](O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100009817552 [0,1,0,0,0,0|2,0,0]=3 1981 B17R2.19729 C[C@@H](O)CSc1cc2cc(ccc2cn1)F 62a_100009817552_100009828686 [0,1,0,0,0,0|2,1,0]=4 1982 B17R2.19729 C[C@@H](O)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100009817552 [0,1,0,0,0,0|2,1,0]=4 1983 B17R2.19729 C[C@@H](O)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100009817552_100009816120 [0,1,0,0,0,0|2,1,0]=4 1984 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(=O)oc2c1 62a_100009817552_100009993525 [0,1,0,0,0,0|2,1,0]=4 1985 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(cc2c1)N 62a_100009817552_100010090036 [0,1,0,0,0,0|1,1,0]=3 1986 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100009817552 [0,1,0,0,0,0|1,1,0]=3 1987 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(cc2c1)O 62a_100009817552_100009816537 [0,1,0,0,0,0|1,1,0]=3 1988 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(cc2n1)O 62a_100009817552_100000079174 [0,1,0,0,0,0|2,1,0]=4 1989 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100009817552 [0,1,0,0,0,0|2,1,0]=4 1990 B17R2.19729 C[C@@H](O)CSc1ccc2ccc(nc2c1)O 62a_100009817552_100000690401 [0,1,0,0,0,0|2,1,0]=4 1991 B17R2.19729 C[C@@H](O)CSc1ccc2cnc(cc2c1)F 62a_100009817552_100010291885 [0,1,0,0,0,0|2,1,0]=4 1992 B17R2.19729 C[C@@H](O)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100009817552 [0,1,0,0,0,0|2,1,0]=4 1993 B17R2.19729 C[C@@H](O)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100009817552 [0,1,0,0,0,0|2,1,0]=4 1994 B17R2.19729 C[C@@H](O)CSc1ccc2cnc(cc2c1)N 62a_100009817552_100009817123 [0,1,0,0,0,0|2,1,0]=4 1995 B17R2.19729 C[C@@H](O)CSc1ccc2cnc(cc2c1)O 62a_100009817552_100009817130 [0,1,0,0,0,0|2,1,0]=4 1996 B17R2.19729 C[C@@H](O)CSc1ccc2ncc(cc2c1)Br 62a_100009817552_200010254249 [0,1,0,0,0,0|2,1,0]=4 1997 B17R2.19729 C[C@@H](O)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100009817552 [0,1,0,0,0,0|2,1,0]=4 1998 B17R2.19729 C[C@@H](O)CSc1ccc2ncc(cc2c1)O 62a_100009817552_100000703654 [0,1,0,0,0,0|2,1,0]=4 1999 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)Br 62a_100009817552_100010740133 [0,1,0,0,0,0|2,1,0]=4 2000 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100009817552 [0,1,0,0,0,0|2,1,0]=4 2001 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)Cl 62a_100009817552_100015929906 [0,1,0,0,0,0|2,1,0]=4 2002 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100009817552 [0,1,0,0,0,0|2,1,0]=4 2003 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)N 62a_100009817552_100009888932 [0,1,0,0,0,0|2,1,0]=4 2004 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100009817552 [0,1,0,0,0,0|2,1,0]=4 2005 B17R2.19729 C[C@@H](O)CSc1cnc2ccc(cc2c1)O 62a_100009817552_100010137430 [0,1,0,0,0,0|2,1,0]=4 2006 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(=O)N 34a_100000091598_100000187820 [0,1,0,0,0,0|2,0,1]=4 2007 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(=O)N 7a_100000091598_100000187820 [0,1,0,0,0,0|2,0,1]=4 2008 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(=O)[O-] 34a_100000091598_100020667443 [0,1,0,0,0,0|2,0,1]=4 2009 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)C 34a_100000091598_100000210624 [0,1,0,0,0,0|0,0,0]=1 2010 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)C 7a_100000091598_100000210760 [0,1,0,0,0,0|0,0,0]=1 2011 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)O 34a_100000091598_100011218427 [0,1,0,0,0,0|1,0,0]=2 2012 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(C)O 7a_100000091598_100011218427 [0,1,0,0,0,0|1,0,0]=2 2013 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(F)F 34a_100000091598_100011934356 [0,1,0,0,0,0|2,0,0]=3 2014 B17R2.19729 Cc1ccc2ccc(cc2c1)OCC(F)F 7a_100000091598_100011934356 [0,1,0,0,0,0|2,0,0]=3 2015 B17R2.19729 Cc1ccc2ccc(cc2c1)OC[C@@H](C)O 34a_100000091598_100009817552 [0,1,0,0,0,0|1,0,0]=2 2016 B17R2.19729 Cc1ccc2ccc(cc2c1)OC[C@@H](C)O 7a_100000091598_100009817552 [0,1,0,0,0,0|1,0,0]=2 2017 B17R2.19729 Cc1ccc2ccc(cc2c1)OC[N+](=O)[O-] 34a_100000091598_100000761209 [0,1,0,0,0,0|3,0,0]=4 2018 B17R2.19729 Cc1ccc2ccc(cc2n1)C=CC(C)C 271570a_100016257149_100009817087 [0,1,0,0,0,0|2,0,1]=4 2019 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(C)C 34a_100009867695_100000210624 [0,1,0,0,0,0|1,0,0]=2 2020 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(C)C 7a_100009867695_100000210760 [0,1,0,0,0,0|1,0,0]=2 2021 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(C)O 34a_100009867695_100011218427 [0,1,0,0,0,0|2,0,0]=3 2022 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(C)O 7a_100009867695_100011218427 [0,1,0,0,0,0|2,0,0]=3 2023 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(F)F 34a_100009867695_100011934356 [0,1,0,0,0,0|3,0,0]=4 2024 B17R2.19729 Cc1ccc2ccc(cc2n1)OCC(F)F 7a_100009867695_100011934356 [0,1,0,0,0,0|3,0,0]=4 2025 B17R2.19729 Cc1ccc2ccc(cc2n1)OC[C@@H](C)O 34a_100009867695_100009817552 [0,1,0,0,0,0|2,0,0]=3 2026 B17R2.19729 Cc1ccc2ccc(cc2n1)OC[C@@H](C)O 7a_100009867695_100009817552 [0,1,0,0,0,0|2,0,0]=3 2027 B17R2.19729 Cc1ccc2ccc(cc2n1)SCC(C)C 62a_100000210624_100009817087 [0,1,0,0,0,0|1,1,0]=3 2028 B17R2.19729 Cc1ccc2ccc(cc2n1)SCC(C)C 62a_100009817087_100000210760 [0,1,0,0,0,0|1,1,0]=3 2029 B17R2.19729 Cc1ccc2ccc(cc2n1)SCC(C)O 62a_100009817087_100011218427 [0,1,0,0,0,0|2,1,0]=4 2030 B17R2.19729 Cc1ccc2ccc(cc2n1)SCC(C)O 62a_100011218427_100009817087 [0,1,0,0,0,0|2,1,0]=4 2031 B17R2.19729 Cc1ccc2ccc(cc2n1)SC[C@@H](C)O 62a_100009817087_100009817552 [0,1,0,0,0,0|2,1,0]=4 2032 B17R2.19729 Cc1ccc2ccc(cc2n1)SC[C@@H](C)O 62a_100009817552_100009817087 [0,1,0,0,0,0|2,1,0]=4 2033 B17R2.19729 Cc1ccc2ncc(cc2c1)C=CC(C)C 271570a_100016257149_100015841224 [0,1,0,0,0,0|2,0,1]=4 2034 B17R2.19729 Cc1ccc2ncc(cc2c1)SCC(C)C 62a_100000210624_100015841224 [0,1,0,0,0,0|1,1,0]=3 2035 B17R2.19729 Cc1ccc2ncc(cc2c1)SCC(C)O 62a_100011218427_100015841224 [0,1,0,0,0,0|2,1,0]=4 2036 B17R2.19729 Cc1ccc2ncc(cc2c1)SC[C@@H](C)O 62a_100009817552_100015841224 [0,1,0,0,0,0|2,1,0]=4 2037 B17R2.19729 Cc1cnc2ccc(cc2c1)C=CC(C)C 271570a_100016257149_100009817055 [0,1,0,0,0,0|2,0,1]=4 2038 B17R2.19729 Cc1cnc2ccc(cc2c1)SCC(C)C 62a_100000210624_100009817055 [0,1,0,0,0,0|1,1,0]=3 2039 B17R2.19729 Cc1cnc2ccc(cc2c1)SCC(C)O 62a_100011218427_100009817055 [0,1,0,0,0,0|2,1,0]=4 2040 B17R2.19729 Cc1cnc2ccc(cc2c1)SC[C@@H](C)O 62a_100009817552_100009817055 [0,1,0,0,0,0|2,1,0]=4 2041 B17R2.19729 Cc1ncc2ccc(cc2n1)NCC(C)C 27a_100000210953_100010233817 [0,1,0,0,0,0|3,0,0]=4 2042 B17R2.19729 Cc1ncc2ccc(cc2n1)SCC(C)C 62a_100000210624_100010233817 [0,1,0,0,0,0|2,1,0]=4 2043 B17R2.19729 Cc1ncc2ccc(cc2n1)SCC(C)C 62a_100010233817_100000210760 [0,1,0,0,0,0|2,1,0]=4 2044 B17R2.19729 FC(F)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011934356 [0,1,0,0,0,0|3,0,0]=4 2045 B17R2.19729 FC(F)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011934356 [0,1,0,0,0,0|3,0,0]=4 2046 B17R2.19729 FC(F)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011934356 [0,1,0,0,0,0|2,0,0]=3 2047 B17R2.19729 FC(F)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011934356 [0,1,0,0,0,0|2,0,0]=3 2048 B17R2.19729 FC(F)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011934356 [0,1,0,0,0,0|3,0,0]=4 2049 B17R2.19729 FC(F)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011934356 [0,1,0,0,0,0|3,0,0]=4 2050 B17R2.19729 FC(F)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011934356 [0,1,0,0,0,0|3,0,0]=4 2051 B17R2.19729 FC(F)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100011934356 [0,1,0,0,0,0|3,0,0]=4 2052 B17R2.19729 FC(F)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011934356 [0,1,0,0,0,0|3,0,0]=4 2053 B17R2.19729 FC(F)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011934356 [0,1,0,0,0,0|3,0,0]=4 2054 B17R2.19729 FC(F)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011934356 [0,1,0,0,0,0|3,0,0]=4 2055 B17R2.19729 FC(F)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100011934356 [0,1,0,0,0,0|3,0,0]=4 2056 B17R2.19729 Fc1ccc2cnc(cc2c1)OCC(F)F 34a_200000101709_100011934356 [0,1,0,0,0,0|3,0,0]=4 2057 B17R2.19729 Fc1cnc2ccc(cc2c1)OCC(F)F 34a_100009845357_100011934356 [0,1,0,0,0,0|3,0,0]=4 2058 B17R2.19729 Fc1cnc2ccc(cc2c1)OCC(F)F 7a_100009845357_100011934356 [0,1,0,0,0,0|3,0,0]=4 2059 B17R2.19729 NC(=O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000187820 [0,1,0,0,0,0|2,0,1]=4 2060 B17R2.19729 NC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000187820 [0,1,0,0,0,0|2,0,1]=4 2061 B17R2.19729 NC(=O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000187820 [0,1,0,0,0,0|2,0,1]=4 2062 B17R2.19729 NC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000187820 [0,1,0,0,0,0|2,0,1]=4 2063 B17R2.19729 Nc1ccc2ccc(cc2c1)OCC(=O)[O-] 34a_100015378740_100020667443 [0,1,0,0,0,0|2,0,1]=4 2064 B17R2.19729 Nc1ccc2ccc(cc2c1)OCC(F)F 34a_100015378740_100011934356 [0,1,0,0,0,0|2,0,0]=3 2065 B17R2.19729 Nc1ccc2ccc(cc2c1)OCC(F)F 7a_100015378740_100011934356 [0,1,0,0,0,0|2,0,0]=3 2066 B17R2.19729 Nc1ccc2ccc(cc2c1)OC[N+](=O)[O-] 34a_100015378740_100000761209 [0,1,0,0,0,0|3,0,0]=4 2067 B17R2.19729 Nc1ccc2ccc(cc2c1)SCC(F)F 62a_100010090036_100011934356 [0,1,0,0,0,0|2,1,0]=4 2068 B17R2.19729 Nc1ccc2ccc(cc2c1)SCC(F)F 62a_100011934356_100010090036 [0,1,0,0,0,0|2,1,0]=4 2069 B17R2.19729 O=C([O-])COc1ccc2ccc(cc2c1)Br 34a_100009816537_100020667443 [0,1,0,0,0,0|2,0,1]=4 2070 B17R2.19729 O=[N+]([O-])COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000761209 [0,1,0,0,0,0|3,0,0]=4 2071 B17R2.19729 O=c1ccc2ccc(cc2o1)OCC(F)F 34a_100000185914_100011934356 [0,1,0,0,0,0|3,0,0]=4 2072 B17R2.19729 O=c1ccc2ccc(cc2o1)OCC(F)F 7a_100000185914_100011934356 [0,1,0,0,0,0|3,0,0]=4 2073 B17R2.19729 Oc1ccc2ccc(cc2c1)NCC(F)F 34a_100015378740_100011934356 [0,1,0,0,0,0|3,0,0]=4 2074 B17R2.19729 Oc1ccc2ccc(cc2c1)NCC(F)F 7a_100015378740_100011934356 [0,1,0,0,0,0|3,0,0]=4 2075 B17R2.19729 Oc1ccc2ccc(cc2c1)SCC(F)F 62a_100011934356_100009816537 [0,1,0,0,0,0|2,1,0]=4 2076 B17R2.19729 [13CH3]C(=O)COc1ccc2ccc(=O)oc2c1 1458a_100000009627_200025704644 [0,1,0,0,0,0|2,0,1]=4 2077 B17R2.19759 C=C(C)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000748629 [0,1,0,0,0,0|1,0,2]=4 2078 B17R2.19759 C=C(C)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000748629 [0,1,0,0,0,0|1,0,2]=4 2079 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000748629 [0,1,0,0,0,0|0,0,2]=3 2080 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000748629 [0,1,0,0,0,0|0,0,2]=3 2081 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000748629 [0,1,0,0,0,0|0,0,2]=3 2082 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000748629 [0,1,0,0,0,0|0,0,2]=3 2083 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000748629 [0,1,0,0,0,0|0,0,2]=3 2084 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000748629 [0,1,0,0,0,0|0,0,2]=3 2085 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000748629 [0,1,0,0,0,0|0,0,2]=3 2086 B17R2.19759 C=C(C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000748629 [0,1,0,0,0,0|0,0,2]=3 2087 B17R2.19759 C=C(C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000748629 [0,1,0,0,0,0|1,0,2]=4 2088 B17R2.19759 C=C(C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000748629 [0,1,0,0,0,0|1,0,2]=4 2089 B17R2.19759 C=C(C)COc1ccc2nc(ccc2c1)C 34a_100000037634_100000748629 [0,1,0,0,0,0|1,0,2]=4 2090 B17R2.19759 C=C(C)COc1ccc2nc(ccc2c1)C 7a_100000037634_100000748629 [0,1,0,0,0,0|1,0,2]=4 2091 B17R2.19759 C=C(C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000748629 [0,1,0,0,0,0|1,0,2]=4 2092 B17R2.19759 C=C(C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000748629 [0,1,0,0,0,0|1,0,2]=4 2093 B17R2.19759 C=C(C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000748629 [0,1,0,0,0,0|1,0,2]=4 2094 B17R2.19759 C=C(C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000748629 [0,1,0,0,0,0|1,0,2]=4 2095 B17R2.19759 C=C(C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000748629 [0,1,0,0,0,0|1,0,2]=4 2096 B17R2.19759 C=C(C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000748629 [0,1,0,0,0,0|1,0,2]=4 2097 B17R2.19759 C=C(C)CSc1ccc2cc(ccc2c1)F 62a_100000748629_100009817052 [0,1,0,0,0,0|0,1,2]=4 2098 B17R2.19759 C=C(C)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000211660 [0,1,0,0,0,0|0,1,2]=4 2099 B17R2.19759 C=C(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000211660 [0,1,0,0,0,0|0,1,2]=4 2100 B17R2.19759 C=C(C)CSc1ccc2cc(ccc2c1)N 62a_100000748629_100000185457 [0,1,0,0,0,0|0,1,2]=4 2101 B17R2.19759 C=C(C)CSc1ccc2cc(ccc2c1)O 62a_100000748629_100000185455 [0,1,0,0,0,0|0,1,2]=4 2102 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100009893438 [0,1,0,0,0,0|1,0,2]=4 2103 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000042424 [0,1,0,0,0,0|1,0,2]=4 2104 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)C 34a_100000074090_100009893438 [0,1,0,0,0,0|1,0,2]=4 2105 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000042424 [0,1,0,0,0,0|1,0,2]=4 2106 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009893438 [0,1,0,0,0,0|1,0,2]=4 2107 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000042424 [0,1,0,0,0,0|1,0,2]=4 2108 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009893438 [0,1,0,0,0,0|1,0,2]=4 2109 B17R2.19759 C=C(F)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000042424 [0,1,0,0,0,0|1,0,2]=4 2110 B17R2.19759 CC(=O)COc1ccc2cc(ccc2c1)Br 1458a_100000191258_200000210301 [0,1,0,0,0,0|1,0,1]=3 2111 B17R2.19759 CC(C)C=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016257149_100011934725 [0,1,0,0,0,0|2,0,1]=4 2112 B17R2.19759 CC(C)C=Cc1ccc2c[n+](ccc2c1)C 271570a_100016257149_100015191232 [0,1,0,0,0,0|2,0,1]=4 2113 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)F 271570a_100016257149_100009817052 [0,1,0,0,0,0|1,0,1]=3 2114 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)N 271570a_100016257149_100000185457 [0,1,0,0,0,0|1,0,1]=3 2115 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2c1)O 271570a_100016257149_100000185455 [0,1,0,0,0,0|1,0,1]=3 2116 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2n1)F 271570a_100016257149_100011998705 [0,1,0,0,0,0|2,0,1]=4 2117 B17R2.19759 CC(C)C=Cc1ccc2cc(ccc2n1)O 271570a_100016257149_100009849208 [0,1,0,0,0,0|2,0,1]=4 2118 B17R2.19759 CC(C)C=Cc1ccc2cc(cnc2c1)Br 271570a_100016257149_200015509644 [0,1,0,0,0,0|2,0,1]=4 2119 B17R2.19759 CC(C)C=Cc1ccc2cc(cnc2c1)F 271570a_100016257149_100010751466 [0,1,0,0,0,0|2,0,1]=4 2120 B17R2.19759 CC(C)C=Cc1ccc2cc(cnc2c1)N 271570a_100016257149_100010142226 [0,1,0,0,0,0|2,0,1]=4 2121 B17R2.19759 CC(C)C=Cc1ccc2cc(ncc2c1)N 271570a_100016257149_100010232990 [0,1,0,0,0,0|2,0,1]=4 2122 B17R2.19759 CC(C)C=Cc1ccc2nc(ccc2c1)Cl 271570a_100016257149_200012034268 [0,1,0,0,0,0|2,0,1]=4 2123 B17R2.19759 CC(C)C=Cc1ccc2nc(ccc2c1)N 271570a_100016257149_100011934619 [0,1,0,0,0,0|2,0,1]=4 2124 B17R2.19759 CC(C)C=Cc1ccc2oc(=O)ccc2c1 271570a_100016257149_100009999946 [0,1,0,0,0,0|2,0,1]=4 2125 B17R2.19759 CC(C)C=Cc1cnc2cc(ccc2c1)Cl 271570a_100016257149_100015716233 [0,1,0,0,0,0|2,0,1]=4 2126 B17R2.19759 CC(C)C=Cc1cnc2cc(ccc2c1)N 271570a_100016257149_200010264087 [0,1,0,0,0,0|2,0,1]=4 2127 B17R2.19759 CC(C)C=Cc1cnc2cc(ccc2c1)O 271570a_100016257149_200010153753 [0,1,0,0,0,0|2,0,1]=4 2128 B17R2.19759 CC(C)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210624 [0,1,0,0,0,0|1,0,0]=2 2129 B17R2.19759 CC(C)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210760 [0,1,0,0,0,0|1,0,0]=2 2130 B17R2.19759 CC(C)CNc1ccc2cc(ccc2n1)F 27a_100000210953_100011998705 [0,1,0,0,0,0|2,0,0]=3 2131 B17R2.19759 CC(C)CNc1ccc2cc(cnc2c1)Br 27a_100000210953_200015509644 [0,1,0,0,0,0|2,0,0]=3 2132 B17R2.19759 CC(C)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210624 [0,1,0,0,0,0|2,0,0]=3 2133 B17R2.19759 CC(C)CNc1ccc2nc(cnc2c1)Cl 34a_100009885871_100000210624 [0,1,0,0,0,0|3,0,0]=4 2134 B17R2.19759 CC(C)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210760 [0,1,0,0,0,0|2,0,0]=3 2135 B17R2.19759 CC(C)CNc1cnc2cc(ccc2n1)F 27a_100000210953_100000098432 [0,1,0,0,0,0|3,0,0]=4 2136 B17R2.19759 CC(C)CNc1cnc2cc(ccc2n1)N 27a_100000210953_100009885871 [0,1,0,0,0,0|3,0,0]=4 2137 B17R2.19759 CC(C)CNc1cnc2cc(ccc2n1)O 27a_100000210953_200010664160 [0,1,0,0,0,0|3,0,0]=4 2138 B17R2.19759 CC(C)COc1ccc2c(c1)CCC(=O)C2 34a_100009852394_100000210624 [0,1,0,0,0,0|0,0,3]=4 2139 B17R2.19759 CC(C)COc1ccc2c(c1)CCC(=O)C2 7a_100009852394_100000210760 [0,1,0,0,0,0|0,0,3]=4 2140 B17R2.19759 CC(C)COc1ccc2c(c1)CCC(=O)N2 34a_100000735524_100000210624 [0,1,0,0,0,0|1,0,2]=4 2141 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210624 [0,1,0,0,0,0|0,0,0]=1 2142 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210760 [0,1,0,0,0,0|0,0,0]=1 2143 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210624 [0,1,0,0,0,0|0,0,0]=1 2144 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210760 [0,1,0,0,0,0|0,0,0]=1 2145 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000210624 [0,1,0,0,0,0|0,0,0]=1 2146 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000210760 [0,1,0,0,0,0|0,0,0]=1 2147 B17R2.19759 CC(C)COc1ccc2cc(ccc2c1)O 271570a_203496583355_200000170443 [0,1,0,0,0,0|0,0,0]=1 2148 B17R2.19759 CC(C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210624 [0,1,0,0,0,0|1,0,0]=2 2149 B17R2.19759 CC(C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210760 [0,1,0,0,0,0|1,0,0]=2 2150 B17R2.19759 CC(C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210624 [0,1,0,0,0,0|1,0,0]=2 2151 B17R2.19759 CC(C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210760 [0,1,0,0,0,0|1,0,0]=2 2152 B17R2.19759 CC(C)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210624 [0,1,0,0,0,0|2,0,0]=3 2153 B17R2.19759 CC(C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210624 [0,1,0,0,0,0|1,0,0]=2 2154 B17R2.19759 CC(C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210760 [0,1,0,0,0,0|1,0,0]=2 2155 B17R2.19759 CC(C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000210624 [0,1,0,0,0,0|1,0,0]=2 2156 B17R2.19759 CC(C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000210760 [0,1,0,0,0,0|1,0,0]=2 2157 B17R2.19759 CC(C)CSc1ccc2[nH]c(=O)ccc2c1 62a_100000210624_100011934725 [0,1,0,0,0,0|1,1,0]=3 2158 B17R2.19759 CC(C)CSc1ccc2[nH]c(=O)cnc2c1 62a_100000210624_100010209493 [0,1,0,0,0,0|2,1,0]=4 2159 B17R2.19759 CC(C)CSc1ccc2c[n+](ccc2c1)C 62a_100000210624_100015191232 [0,1,0,0,0,0|1,1,0]=3 2160 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)F 62a_100000210624_100009817052 [0,1,0,0,0,0|0,1,0]=2 2161 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210760 [0,1,0,0,0,0|0,1,0]=2 2162 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210760 [0,1,0,0,0,0|0,1,0]=2 2163 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)N 62a_100000210624_100000185457 [0,1,0,0,0,0|0,1,0]=2 2164 B17R2.19759 CC(C)CSc1ccc2cc(ccc2c1)O 62a_100000210624_100000185455 [0,1,0,0,0,0|0,1,0]=2 2165 B17R2.19759 CC(C)CSc1ccc2cc(ccc2n1)F 62a_100000210624_100011998705 [0,1,0,0,0,0|1,1,0]=3 2166 B17R2.19759 CC(C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210760 [0,1,0,0,0,0|1,1,0]=3 2167 B17R2.19759 CC(C)CSc1ccc2cc(ccc2n1)O 62a_100000210624_100009849208 [0,1,0,0,0,0|1,1,0]=3 2168 B17R2.19759 CC(C)CSc1ccc2cc(cnc2c1)Br 62a_100000210624_200015509644 [0,1,0,0,0,0|1,1,0]=3 2169 B17R2.19759 CC(C)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210760 [0,1,0,0,0,0|1,1,0]=3 2170 B17R2.19759 CC(C)CSc1ccc2cc(cnc2c1)F 62a_100000210624_100010751466 [0,1,0,0,0,0|1,1,0]=3 2171 B17R2.19759 CC(C)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210760 [0,1,0,0,0,0|1,1,0]=3 2172 B17R2.19759 CC(C)CSc1ccc2cc(cnc2c1)N 62a_100000210624_100010142226 [0,1,0,0,0,0|1,1,0]=3 2173 B17R2.19759 CC(C)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210760 [0,1,0,0,0,0|1,1,0]=3 2174 B17R2.19759 CC(C)CSc1ccc2cc(ncc2c1)N 62a_100000210624_100010232990 [0,1,0,0,0,0|1,1,0]=3 2175 B17R2.19759 CC(C)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210760 [0,1,0,0,0,0|1,1,0]=3 2176 B17R2.19759 CC(C)CSc1ccc2nc(ccc2c1)Cl 62a_100000210624_200012034268 [0,1,0,0,0,0|1,1,0]=3 2177 B17R2.19759 CC(C)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210760 [0,1,0,0,0,0|1,1,0]=3 2178 B17R2.19759 CC(C)CSc1ccc2nc(ncc2c1)N 62a_100000210624_100010138702 [0,1,0,0,0,0|2,1,0]=4 2179 B17R2.19759 CC(C)CSc1ccc2nc(ncc2c1)N 62a_100010138702_100000210760 [0,1,0,0,0,0|2,1,0]=4 2180 B17R2.19759 CC(C)CSc1ccc2oc(=O)ccc2c1 62a_100000210624_100009999946 [0,1,0,0,0,0|1,1,0]=3 2181 B17R2.19759 CC(C)CSc1cnc2cc(ccc2c1)Cl 62a_100000210624_100015716233 [0,1,0,0,0,0|1,1,0]=3 2182 B17R2.19759 CC(C)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210760 [0,1,0,0,0,0|1,1,0]=3 2183 B17R2.19759 CC(C)CSc1cnc2cc(ccc2c1)N 62a_100000210624_200010264087 [0,1,0,0,0,0|1,1,0]=3 2184 B17R2.19759 CC(C)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210760 [0,1,0,0,0,0|1,1,0]=3 2185 B17R2.19759 CC(C)CSc1cnc2cc(ccc2c1)O 62a_100000210624_200010153753 [0,1,0,0,0,0|1,1,0]=3 2186 B17R2.19759 CC(C)CSc1cnc2cc(ccc2n1)F 62a_100000098432_100000210760 [0,1,0,0,0,0|2,1,0]=4 2187 B17R2.19759 CC(C)CSc1cnc2cc(ccc2n1)F 62a_100000210624_100000098432 [0,1,0,0,0,0|2,1,0]=4 2188 B17R2.19759 CC(C)CSc1cnc2cc(ccc2n1)N 62a_100000210624_100009885871 [0,1,0,0,0,0|2,1,0]=4 2189 B17R2.19759 CC(C)CSc1cnc2cc(ccc2n1)O 62a_100000210624_200010664160 [0,1,0,0,0,0|2,1,0]=4 2190 B17R2.19759 CC(C)CSc1cnc2nc(ccc2c1)N 62a_100000210624_100010214896 [0,1,0,0,0,0|2,1,0]=4 2191 B17R2.19759 CC(C)CSc1cnc2nc(ccc2c1)N 62a_100010214896_100000210760 [0,1,0,0,0,0|2,1,0]=4 2192 B17R2.19759 CC(C)CSc1cnc2nc(ccc2c1)O 62a_100000210624_100009814606 [0,1,0,0,0,0|2,1,0]=4 2193 B17R2.19759 CC(C)NCc1cc2ccc(cc2cn1)Cl 2230a_100138425928_200010408301 [0,1,0,0,0,0|3,0,0]=4 2194 B17R2.19759 CC(C)NCc1cc2ccc(cc2cn1)Cl 34a_100138425928_200010408301 [0,1,0,0,0,0|3,0,0]=4 2195 B17R2.19759 CC(C)NCc1ccc2cc(ccc2c1)Br 207a_100138425928_100012356508 [0,1,0,0,0,0|2,0,0]=3 2196 B17R2.19759 CC(C)NCc1ccc2cc(ccc2c1)Br 2230a_100138425928_100012356510 [0,1,0,0,0,0|2,0,0]=3 2197 B17R2.19759 CC(C)NCc1ccc2cc(ccc2c1)Br 34a_100138425928_100012356510 [0,1,0,0,0,0|2,0,0]=3 2198 B17R2.19759 CC(C)NCc1ccc2cc(ccc2c1)O 207a_100138425928_100000067190 [0,1,0,0,0,0|2,0,0]=3 2199 B17R2.19759 CC(C)NCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210206 [0,1,0,0,0,0|2,0,0]=3 2200 B17R2.19759 CC(C)NCc1ccc2cc(ccc2n1)Cl 207a_100138425928_100000059782 [0,1,0,0,0,0|3,0,0]=4 2201 B17R2.19759 CC(C)NCc1ccc2cc(ccc2n1)F 207a_100138425928_100000068074 [0,1,0,0,0,0|3,0,0]=4 2202 B17R2.19759 CC(C)NCc1ccc2cc(cnc2c1)Br 207a_100138425928_100010114372 [0,1,0,0,0,0|3,0,0]=4 2203 B17R2.19759 CC(C)NCc1ccc2oc(=O)ccc2c1 2230a_100138425928_200010983872 [0,1,0,0,0,0|3,0,0]=4 2204 B17R2.19759 CC(C)OCc1cc2ccc(cc2cn1)Cl 34a_100000212225_200010408301 [0,1,0,0,0,0|3,0,0]=4 2205 B17R2.19759 CC(C)OCc1ccc2cc(ccc2c1)Br 34a_100000212225_100012356510 [0,1,0,0,0,0|2,0,0]=3 2206 B17R2.19759 CC(C)OCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210206 [0,1,0,0,0,0|2,0,0]=3 2207 B17R2.19759 CC(C)OCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210206 [0,1,0,0,0,0|2,0,0]=3 2208 B17R2.19759 CC(C)SCc1cc2ccc(cc2cn1)Cl 62a_100000210206_200010408301 [0,1,0,0,0,0|3,0,0]=4 2209 B17R2.19759 CC(C)SCc1cc2ccc(cc2cn1)Cl 62a_200010408301_100000210206 [0,1,0,0,0,0|3,0,0]=4 2210 B17R2.19759 CC(C)SCc1ccc2oc(=O)ccc2c1 62a_100000210206_200010983872 [0,1,0,0,0,0|3,0,0]=4 2211 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)Br 271570a_200011019289_100012344972 [0,1,0,0,0,0|2,0,1]=4 2212 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)F 271570a_200011019289_100009817052 [0,1,0,0,0,0|2,0,1]=4 2213 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)N 271570a_200011019289_100000185457 [0,1,0,0,0,0|2,0,1]=4 2214 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)O 271570a_200011019289_100000185455 [0,1,0,0,0,0|2,0,1]=4 2215 B17R2.19759 CC(O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011218427 [0,1,0,0,0,0|2,0,0]=3 2216 B17R2.19759 CC(O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011218427 [0,1,0,0,0,0|2,0,0]=3 2217 B17R2.19759 CC(O)CNc1ccc2cc(ccc2n1)F 27a_100000210904_100011998705 [0,1,0,0,0,0|3,0,0]=4 2218 B17R2.19759 CC(O)CNc1ccc2cc(cnc2c1)Br 27a_100000210904_200015509644 [0,1,0,0,0,0|3,0,0]=4 2219 B17R2.19759 CC(O)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011218427 [0,1,0,0,0,0|3,0,0]=4 2220 B17R2.19759 CC(O)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100011218427 [0,1,0,0,0,0|3,0,0]=4 2221 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218427 [0,1,0,0,0,0|1,0,0]=2 2222 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011218427 [0,1,0,0,0,0|1,0,0]=2 2223 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218427 [0,1,0,0,0,0|1,0,0]=2 2224 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011218427 [0,1,0,0,0,0|1,0,0]=2 2225 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011218427 [0,1,0,0,0,0|1,0,0]=2 2226 B17R2.19759 CC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100011218427 [0,1,0,0,0,0|1,0,0]=2 2227 B17R2.19759 CC(O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011218427 [0,1,0,0,0,0|2,0,0]=3 2228 B17R2.19759 CC(O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100011218427 [0,1,0,0,0,0|2,0,0]=3 2229 B17R2.19759 CC(O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011218427 [0,1,0,0,0,0|2,0,0]=3 2230 B17R2.19759 CC(O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011218427 [0,1,0,0,0,0|2,0,0]=3 2231 B17R2.19759 CC(O)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011218427 [0,1,0,0,0,0|3,0,0]=4 2232 B17R2.19759 CC(O)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100011218427 [0,1,0,0,0,0|2,0,0]=3 2233 B17R2.19759 CC(O)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100011218427 [0,1,0,0,0,0|2,0,0]=3 2234 B17R2.19759 CC(O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011218427 [0,1,0,0,0,0|2,0,0]=3 2235 B17R2.19759 CC(O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100011218427 [0,1,0,0,0,0|2,0,0]=3 2236 B17R2.19759 CC(O)CSc1ccc2[nH]c(=O)ccc2c1 62a_100011218427_100011934725 [0,1,0,0,0,0|2,1,0]=4 2237 B17R2.19759 CC(O)CSc1ccc2c[n+](ccc2c1)C 62a_100011218427_100015191232 [0,1,0,0,0,0|2,1,0]=4 2238 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)Br 62a_100011218427_100012344972 [0,1,0,0,0,0|1,1,0]=3 2239 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011218427 [0,1,0,0,0,0|1,1,0]=3 2240 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100011218427 [0,1,0,0,0,0|1,1,0]=3 2241 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)F 62a_100011218427_100009817052 [0,1,0,0,0,0|1,1,0]=3 2242 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100011218427 [0,1,0,0,0,0|1,1,0]=3 2243 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)N 62a_100011218427_100000185457 [0,1,0,0,0,0|1,1,0]=3 2244 B17R2.19759 CC(O)CSc1ccc2cc(ccc2c1)O 62a_100011218427_100000185455 [0,1,0,0,0,0|1,1,0]=3 2245 B17R2.19759 CC(O)CSc1ccc2cc(ccc2n1)F 62a_100011218427_100011998705 [0,1,0,0,0,0|2,1,0]=4 2246 B17R2.19759 CC(O)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100011218427 [0,1,0,0,0,0|2,1,0]=4 2247 B17R2.19759 CC(O)CSc1ccc2cc(ccc2n1)O 62a_100011218427_100009849208 [0,1,0,0,0,0|2,1,0]=4 2248 B17R2.19759 CC(O)CSc1ccc2cc(cnc2c1)Br 62a_100011218427_200015509644 [0,1,0,0,0,0|2,1,0]=4 2249 B17R2.19759 CC(O)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011218427 [0,1,0,0,0,0|2,1,0]=4 2250 B17R2.19759 CC(O)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100011218427 [0,1,0,0,0,0|2,1,0]=4 2251 B17R2.19759 CC(O)CSc1ccc2cc(cnc2c1)F 62a_100011218427_100010751466 [0,1,0,0,0,0|2,1,0]=4 2252 B17R2.19759 CC(O)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100011218427 [0,1,0,0,0,0|2,1,0]=4 2253 B17R2.19759 CC(O)CSc1ccc2cc(cnc2c1)N 62a_100011218427_100010142226 [0,1,0,0,0,0|2,1,0]=4 2254 B17R2.19759 CC(O)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100011218427 [0,1,0,0,0,0|2,1,0]=4 2255 B17R2.19759 CC(O)CSc1ccc2cc(ncc2c1)N 62a_100011218427_100010232990 [0,1,0,0,0,0|2,1,0]=4 2256 B17R2.19759 CC(O)CSc1ccc2nc(ccc2c1)Cl 62a_100011218427_200012034268 [0,1,0,0,0,0|2,1,0]=4 2257 B17R2.19759 CC(O)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100011218427 [0,1,0,0,0,0|2,1,0]=4 2258 B17R2.19759 CC(O)CSc1ccc2oc(=O)ccc2c1 62a_100011218427_100009999946 [0,1,0,0,0,0|2,1,0]=4 2259 B17R2.19759 CC(O)CSc1cnc2cc(ccc2c1)Cl 62a_100011218427_100015716233 [0,1,0,0,0,0|2,1,0]=4 2260 B17R2.19759 CC(O)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011218427 [0,1,0,0,0,0|2,1,0]=4 2261 B17R2.19759 CC(O)CSc1cnc2cc(ccc2c1)N 62a_100011218427_200010264087 [0,1,0,0,0,0|2,1,0]=4 2262 B17R2.19759 CC(O)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100011218427 [0,1,0,0,0,0|2,1,0]=4 2263 B17R2.19759 CC(O)CSc1cnc2cc(ccc2c1)O 62a_100011218427_200010153753 [0,1,0,0,0,0|2,1,0]=4 2264 B17R2.19759 C[C@@H](O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100009817552 [0,1,0,0,0,0|2,0,0]=3 2265 B17R2.19759 C[C@@H](O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100009817552 [0,1,0,0,0,0|2,0,0]=3 2266 B17R2.19759 C[C@@H](O)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100009817552 [0,1,0,0,0,0|3,0,0]=4 2267 B17R2.19759 C[C@@H](O)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100009817552 [0,1,0,0,0,0|3,0,0]=4 2268 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100009817552 [0,1,0,0,0,0|1,0,0]=2 2269 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100009817552 [0,1,0,0,0,0|1,0,0]=2 2270 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009817552 [0,1,0,0,0,0|1,0,0]=2 2271 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009817552 [0,1,0,0,0,0|1,0,0]=2 2272 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009817552 [0,1,0,0,0,0|1,0,0]=2 2273 B17R2.19759 C[C@@H](O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100009817552 [0,1,0,0,0,0|1,0,0]=2 2274 B17R2.19759 C[C@@H](O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100009817552 [0,1,0,0,0,0|2,0,0]=3 2275 B17R2.19759 C[C@@H](O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100009817552 [0,1,0,0,0,0|2,0,0]=3 2276 B17R2.19759 C[C@@H](O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009817552 [0,1,0,0,0,0|2,0,0]=3 2277 B17R2.19759 C[C@@H](O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009817552 [0,1,0,0,0,0|2,0,0]=3 2278 B17R2.19759 C[C@@H](O)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100009817552 [0,1,0,0,0,0|3,0,0]=4 2279 B17R2.19759 C[C@@H](O)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100009817552 [0,1,0,0,0,0|2,0,0]=3 2280 B17R2.19759 C[C@@H](O)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100009817552 [0,1,0,0,0,0|2,0,0]=3 2281 B17R2.19759 C[C@@H](O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100009817552 [0,1,0,0,0,0|2,0,0]=3 2282 B17R2.19759 C[C@@H](O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100009817552 [0,1,0,0,0,0|2,0,0]=3 2283 B17R2.19759 C[C@@H](O)CSc1ccc2[nH]c(=O)ccc2c1 62a_100009817552_100011934725 [0,1,0,0,0,0|2,1,0]=4 2284 B17R2.19759 C[C@@H](O)CSc1ccc2c[n+](ccc2c1)C 62a_100009817552_100015191232 [0,1,0,0,0,0|2,1,0]=4 2285 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)Br 62a_100009817552_100012344972 [0,1,0,0,0,0|1,1,0]=3 2286 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100009817552 [0,1,0,0,0,0|1,1,0]=3 2287 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100009817552 [0,1,0,0,0,0|1,1,0]=3 2288 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)F 62a_100009817552_100009817052 [0,1,0,0,0,0|1,1,0]=3 2289 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100009817552 [0,1,0,0,0,0|1,1,0]=3 2290 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)N 62a_100009817552_100000185457 [0,1,0,0,0,0|1,1,0]=3 2291 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2c1)O 62a_100009817552_100000185455 [0,1,0,0,0,0|1,1,0]=3 2292 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2n1)F 62a_100009817552_100011998705 [0,1,0,0,0,0|2,1,0]=4 2293 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100009817552 [0,1,0,0,0,0|2,1,0]=4 2294 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ccc2n1)O 62a_100009817552_100009849208 [0,1,0,0,0,0|2,1,0]=4 2295 B17R2.19759 C[C@@H](O)CSc1ccc2cc(cnc2c1)Br 62a_100009817552_200015509644 [0,1,0,0,0,0|2,1,0]=4 2296 B17R2.19759 C[C@@H](O)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100009817552 [0,1,0,0,0,0|2,1,0]=4 2297 B17R2.19759 C[C@@H](O)CSc1ccc2cc(cnc2c1)F 62a_100009817552_100010751466 [0,1,0,0,0,0|2,1,0]=4 2298 B17R2.19759 C[C@@H](O)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100009817552 [0,1,0,0,0,0|2,1,0]=4 2299 B17R2.19759 C[C@@H](O)CSc1ccc2cc(cnc2c1)N 62a_100009817552_100010142226 [0,1,0,0,0,0|2,1,0]=4 2300 B17R2.19759 C[C@@H](O)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100009817552 [0,1,0,0,0,0|2,1,0]=4 2301 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ncc2c1)N 62a_100009817552_100010232990 [0,1,0,0,0,0|2,1,0]=4 2302 B17R2.19759 C[C@@H](O)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100009817552 [0,1,0,0,0,0|2,1,0]=4 2303 B17R2.19759 C[C@@H](O)CSc1ccc2nc(ccc2c1)Cl 62a_100009817552_200012034268 [0,1,0,0,0,0|2,1,0]=4 2304 B17R2.19759 C[C@@H](O)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100009817552 [0,1,0,0,0,0|2,1,0]=4 2305 B17R2.19759 C[C@@H](O)CSc1ccc2oc(=O)ccc2c1 62a_100009817552_100009999946 [0,1,0,0,0,0|2,1,0]=4 2306 B17R2.19759 C[C@@H](O)CSc1cnc2cc(ccc2c1)Cl 62a_100009817552_100015716233 [0,1,0,0,0,0|2,1,0]=4 2307 B17R2.19759 C[C@@H](O)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100009817552 [0,1,0,0,0,0|2,1,0]=4 2308 B17R2.19759 C[C@@H](O)CSc1cnc2cc(ccc2c1)N 62a_100009817552_200010264087 [0,1,0,0,0,0|2,1,0]=4 2309 B17R2.19759 C[C@@H](O)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100009817552 [0,1,0,0,0,0|2,1,0]=4 2310 B17R2.19759 C[C@@H](O)CSc1cnc2cc(ccc2c1)O 62a_100009817552_200010153753 [0,1,0,0,0,0|2,1,0]=4 2311 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(=O)N 34a_100000074090_100000187820 [0,1,0,0,0,0|2,0,1]=4 2312 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(=O)N 7a_100000074090_100000187820 [0,1,0,0,0,0|2,0,1]=4 2313 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(=O)[O-] 34a_100000074090_100020667443 [0,1,0,0,0,0|2,0,1]=4 2314 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)C 34a_100000074090_100000210624 [0,1,0,0,0,0|0,0,0]=1 2315 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)C 7a_100000074090_100000210760 [0,1,0,0,0,0|0,0,0]=1 2316 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)O 34a_100000074090_100011218427 [0,1,0,0,0,0|1,0,0]=2 2317 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(C)O 7a_100000074090_100011218427 [0,1,0,0,0,0|1,0,0]=2 2318 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(F)F 34a_100000074090_100011934356 [0,1,0,0,0,0|2,0,0]=3 2319 B17R2.19759 Cc1ccc2cc(ccc2c1)OCC(F)F 7a_100000074090_100011934356 [0,1,0,0,0,0|2,0,0]=3 2320 B17R2.19759 Cc1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_100000074090_100009817552 [0,1,0,0,0,0|1,0,0]=2 2321 B17R2.19759 Cc1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000074090_100009817552 [0,1,0,0,0,0|1,0,0]=2 2322 B17R2.19759 Cc1ccc2cc(ccc2c1)OC[N+](=O)[O-] 34a_100000074090_100000761209 [0,1,0,0,0,0|3,0,0]=4 2323 B17R2.19759 Cc1ccc2cc(ccc2n1)C=CC(C)C 271570a_100016257149_100000686635 [0,1,0,0,0,0|2,0,1]=4 2324 B17R2.19759 Cc1ccc2cc(ccc2n1)CNC(C)C 207a_100138425928_100000709793 [0,1,0,0,0,0|3,0,0]=4 2325 B17R2.19759 Cc1ccc2cc(ccc2n1)COC(C)C 34a_100011934618_100000210206 [0,1,0,0,0,0|3,0,0]=4 2326 B17R2.19759 Cc1ccc2cc(ccc2n1)NCC(C)C 34a_100011216442_100000210624 [0,1,0,0,0,0|2,0,0]=3 2327 B17R2.19759 Cc1ccc2cc(ccc2n1)NCC(C)O 34a_100011216442_100011218427 [0,1,0,0,0,0|3,0,0]=4 2328 B17R2.19759 Cc1ccc2cc(ccc2n1)NC[C@@H](C)O 34a_100011216442_100009817552 [0,1,0,0,0,0|3,0,0]=4 2329 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(C)C 34a_100000037634_100000210624 [0,1,0,0,0,0|1,0,0]=2 2330 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(C)C 7a_100000037634_100000210760 [0,1,0,0,0,0|1,0,0]=2 2331 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(C)O 34a_100000037634_100011218427 [0,1,0,0,0,0|2,0,0]=3 2332 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(C)O 7a_100000037634_100011218427 [0,1,0,0,0,0|2,0,0]=3 2333 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(F)F 34a_100000037634_100011934356 [0,1,0,0,0,0|3,0,0]=4 2334 B17R2.19759 Cc1ccc2cc(ccc2n1)OCC(F)F 7a_100000037634_100011934356 [0,1,0,0,0,0|3,0,0]=4 2335 B17R2.19759 Cc1ccc2cc(ccc2n1)OC[C@@H](C)O 34a_100000037634_100009817552 [0,1,0,0,0,0|2,0,0]=3 2336 B17R2.19759 Cc1ccc2cc(ccc2n1)OC[C@@H](C)O 7a_100000037634_100009817552 [0,1,0,0,0,0|2,0,0]=3 2337 B17R2.19759 Cc1ccc2cc(ccc2n1)SCC(C)C 62a_100000210624_100000686635 [0,1,0,0,0,0|1,1,0]=3 2338 B17R2.19759 Cc1ccc2cc(ccc2n1)SCC(C)C 62a_100000686635_100000210760 [0,1,0,0,0,0|1,1,0]=3 2339 B17R2.19759 Cc1ccc2cc(ccc2n1)SCC(C)O 62a_100000686635_100011218427 [0,1,0,0,0,0|2,1,0]=4 2340 B17R2.19759 Cc1ccc2cc(ccc2n1)SCC(C)O 62a_100011218427_100000686635 [0,1,0,0,0,0|2,1,0]=4 2341 B17R2.19759 Cc1ccc2cc(ccc2n1)SC[C@@H](C)O 62a_100000686635_100009817552 [0,1,0,0,0,0|2,1,0]=4 2342 B17R2.19759 Cc1ccc2cc(ccc2n1)SC[C@@H](C)O 62a_100009817552_100000686635 [0,1,0,0,0,0|2,1,0]=4 2343 B17R2.19759 Cc1ccc2nc(ccc2c1)C=CC(C)C 271570a_100016257149_100011865911 [0,1,0,0,0,0|2,0,1]=4 2344 B17R2.19759 Cc1ccc2nc(ccc2c1)CNC(C)C 2230a_100138425928_100009884411 [0,1,0,0,0,0|3,0,0]=4 2345 B17R2.19759 Cc1ccc2nc(ccc2c1)CNC(C)C 34a_100138425928_100009884411 [0,1,0,0,0,0|3,0,0]=4 2346 B17R2.19759 Cc1ccc2nc(ccc2c1)COC(C)C 34a_100000212225_100009884411 [0,1,0,0,0,0|3,0,0]=4 2347 B17R2.19759 Cc1ccc2nc(ccc2c1)CSC(C)C 62a_100000210206_100009884411 [0,1,0,0,0,0|3,0,0]=4 2348 B17R2.19759 Cc1ccc2nc(ccc2c1)CSC(C)C 62a_100009884411_100000210206 [0,1,0,0,0,0|3,0,0]=4 2349 B17R2.19759 Cc1ccc2nc(ccc2c1)NCC(C)C 27a_100000210953_100011865911 [0,1,0,0,0,0|2,0,0]=3 2350 B17R2.19759 Cc1ccc2nc(ccc2c1)NCC(C)O 27a_100000210904_100011865911 [0,1,0,0,0,0|3,0,0]=4 2351 B17R2.19759 Cc1ccc2nc(ccc2c1)SCC(C)C 62a_100000210624_100011865911 [0,1,0,0,0,0|1,1,0]=3 2352 B17R2.19759 Cc1ccc2nc(ccc2c1)SCC(C)C 62a_200000181977_100000210760 [0,1,0,0,0,0|1,1,0]=3 2353 B17R2.19759 Cc1ccc2nc(ccc2c1)SCC(C)O 62a_100011218427_100011865911 [0,1,0,0,0,0|2,1,0]=4 2354 B17R2.19759 Cc1ccc2nc(ccc2c1)SCC(C)O 62a_200000181977_100011218427 [0,1,0,0,0,0|2,1,0]=4 2355 B17R2.19759 Cc1ccc2nc(ccc2c1)SC[C@@H](C)O 62a_100009817552_100011865911 [0,1,0,0,0,0|2,1,0]=4 2356 B17R2.19759 Cc1ccc2nc(ccc2c1)SC[C@@H](C)O 62a_200000181977_100009817552 [0,1,0,0,0,0|2,1,0]=4 2357 B17R2.19759 Cc1ccc2nc(ccc2n1)NCC(C)C 27a_100000210953_200009884078 [0,1,0,0,0,0|3,0,0]=4 2358 B17R2.19759 Cc1ccc2nc(ccc2n1)SCC(C)C 62a_100000210624_200009884078 [0,1,0,0,0,0|2,1,0]=4 2359 B17R2.19759 Cc1cnc2cc(ccc2c1)C=CC(C)C 271570a_100016257149_100010751441 [0,1,0,0,0,0|2,0,1]=4 2360 B17R2.19759 Cc1cnc2cc(ccc2c1)SCC(C)C 62a_100000210624_100010751441 [0,1,0,0,0,0|1,1,0]=3 2361 B17R2.19759 Cc1cnc2cc(ccc2c1)SCC(C)O 62a_100011218427_100010751441 [0,1,0,0,0,0|2,1,0]=4 2362 B17R2.19759 Cc1cnc2cc(ccc2c1)SC[C@@H](C)O 62a_100009817552_100010751441 [0,1,0,0,0,0|2,1,0]=4 2363 B17R2.19759 FC(F)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011934356 [0,1,0,0,0,0|3,0,0]=4 2364 B17R2.19759 FC(F)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011934356 [0,1,0,0,0,0|3,0,0]=4 2365 B17R2.19759 FC(F)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011934356 [0,1,0,0,0,0|2,0,0]=3 2366 B17R2.19759 FC(F)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011934356 [0,1,0,0,0,0|2,0,0]=3 2367 B17R2.19759 FC(F)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011934356 [0,1,0,0,0,0|2,0,0]=3 2368 B17R2.19759 FC(F)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011934356 [0,1,0,0,0,0|2,0,0]=3 2369 B17R2.19759 FC(F)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011934356 [0,1,0,0,0,0|3,0,0]=4 2370 B17R2.19759 FC(F)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100011934356 [0,1,0,0,0,0|3,0,0]=4 2371 B17R2.19759 FC(F)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011934356 [0,1,0,0,0,0|3,0,0]=4 2372 B17R2.19759 FC(F)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011934356 [0,1,0,0,0,0|3,0,0]=4 2373 B17R2.19759 FC(F)CSc1ccc2cc(ccc2c1)Br 62a_100011934356_100012344972 [0,1,0,0,0,0|2,1,0]=4 2374 B17R2.19759 FC(F)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011934356 [0,1,0,0,0,0|2,1,0]=4 2375 B17R2.19759 Fc1ccc2cc(ccc2c1)OCC(F)F 34a_100009847029_100011934356 [0,1,0,0,0,0|2,0,0]=3 2376 B17R2.19759 Fc1ccc2cc(ccc2c1)OCC(F)F 7a_100009847029_100011934356 [0,1,0,0,0,0|2,0,0]=3 2377 B17R2.19759 Fc1ccc2cc(ccc2c1)SCC(F)F 62a_100009817052_100011934356 [0,1,0,0,0,0|2,1,0]=4 2378 B17R2.19759 Fc1ccc2cc(ccc2c1)SCC(F)F 62a_100011934356_100009817052 [0,1,0,0,0,0|2,1,0]=4 2379 B17R2.19759 Fc1ccc2cc(cnc2c1)OCC(F)F 34a_100012184162_100011934356 [0,1,0,0,0,0|3,0,0]=4 2380 B17R2.19759 Fc1ccc2cc(cnc2c1)OCC(F)F 7a_100012184162_100011934356 [0,1,0,0,0,0|3,0,0]=4 2381 B17R2.19759 NC(=O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000187820 [0,1,0,0,0,0|2,0,1]=4 2382 B17R2.19759 NC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000187820 [0,1,0,0,0,0|2,0,1]=4 2383 B17R2.19759 NC(=O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000187820 [0,1,0,0,0,0|2,0,1]=4 2384 B17R2.19759 NC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000187820 [0,1,0,0,0,0|2,0,1]=4 2385 B17R2.19759 NC(=O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000187820 [0,1,0,0,0,0|2,0,1]=4 2386 B17R2.19759 NC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000187820 [0,1,0,0,0,0|2,0,1]=4 2387 B17R2.19759 Nc1ccc2cc(ccc2c1)SCC(F)F 62a_100000185457_100011934356 [0,1,0,0,0,0|2,1,0]=4 2388 B17R2.19759 Nc1ccc2cc(ccc2c1)SCC(F)F 62a_100011934356_100000185457 [0,1,0,0,0,0|2,1,0]=4 2389 B17R2.19759 O=C([O-])COc1ccc2cc(ccc2c1)Br 34a_100000185455_100020667443 [0,1,0,0,0,0|2,0,1]=4 2390 B17R2.19759 O=C([O-])COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100020667443 [0,1,0,0,0,0|2,0,1]=4 2391 B17R2.19759 O=C([O-])COc1ccc2cc(ccc2c1)F 34a_100009847029_100020667443 [0,1,0,0,0,0|2,0,1]=4 2392 B17R2.19759 O=[N+]([O-])COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000761209 [0,1,0,0,0,0|3,0,0]=4 2393 B17R2.19759 O=[N+]([O-])COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000761209 [0,1,0,0,0,0|3,0,0]=4 2394 B17R2.19759 O=[N+]([O-])COc1ccc2cc(ccc2c1)F 34a_100009847029_100000761209 [0,1,0,0,0,0|3,0,0]=4 2395 B17R2.19759 O=c1ccc2cc(ccc2o1)OCC(F)F 34a_100000066265_100011934356 [0,1,0,0,0,0|3,0,0]=4 2396 B17R2.19759 O=c1ccc2cc(ccc2o1)OCC(F)F 7a_100000066265_100011934356 [0,1,0,0,0,0|3,0,0]=4 2397 B17R2.19759 Oc1ccc2cc(ccc2c1)SCC(F)F 62a_100011934356_100000185455 [0,1,0,0,0,0|2,1,0]=4 2398 B17R2.19759 [13CH3]C(=O)COc1ccc2cc(ccc2c1)Br 1458a_100000191258_200025704644 [0,1,0,0,0,0|1,0,1]=3 2399 B17R2.37485 C=C(C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000748629 [0,1,0,0,0,0|1,0,2]=4 2400 B17R2.37485 C=C(C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000748629 [0,1,0,0,0,0|1,0,2]=4 2401 B17R2.37485 C=C(C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000748629 [0,1,0,0,0,0|1,0,2]=4 2402 B17R2.37485 C=C(C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000748629 [0,1,0,0,0,0|1,0,2]=4 2403 B17R2.37485 C=C(C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000748629 [0,1,0,0,0,0|1,0,2]=4 2404 B17R2.37485 C=C(C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000748629 [0,1,0,0,0,0|1,0,2]=4 2405 B17R2.37485 C=C(C)COc1ccc2c(cccc2c1)N 34a_100000034668_100000748629 [0,1,0,0,0,0|0,0,2]=3 2406 B17R2.37485 C=C(C)COc1ccc2c(cccc2c1)N 7a_100000034668_100000748629 [0,1,0,0,0,0|0,0,2]=3 2407 B17R2.37485 C=C(C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000748629 [0,1,0,0,0,0|1,0,2]=4 2408 B17R2.37485 C=C(C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000748629 [0,1,0,0,0,0|1,0,2]=4 2409 B17R2.37485 C=C(C)COc1ccc2c(ccnc2c1)C 34a_200009854145_100000748629 [0,1,0,0,0,0|1,0,2]=4 2410 B17R2.37485 C=C(C)COc1ccc2c(ccnc2c1)C 7a_200009854145_100000748629 [0,1,0,0,0,0|1,0,2]=4 2411 B17R2.37485 C=C(C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000748629 [0,1,0,0,0,0|1,0,2]=4 2412 B17R2.37485 C=C(C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000748629 [0,1,0,0,0,0|1,0,2]=4 2413 B17R2.37485 C=C(C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000748629 [0,1,0,0,0,0|1,0,2]=4 2414 B17R2.37485 C=C(C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000748629 [0,1,0,0,0,0|1,0,2]=4 2415 B17R2.37485 C=C(C)COc1cnc2c(cccc2c1)F 34a_100012184956_100000748629 [0,1,0,0,0,0|1,0,2]=4 2416 B17R2.37485 C=C(C)COc1cnc2c(cccc2c1)F 7a_100012184956_100000748629 [0,1,0,0,0,0|1,0,2]=4 2417 B17R2.37485 C=C(C)CSc1ccc2c(cccc2c1)N 62a_100000748629_100010090037 [0,1,0,0,0,0|0,1,2]=4 2418 B17R2.37485 C=C(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000211660 [0,1,0,0,0,0|0,1,2]=4 2419 B17R2.37485 C=C(C)CSc1ccc2c(cccc2c1)O 62a_100000748629_100010202202 [0,1,0,0,0,0|0,1,2]=4 2420 B17R2.37485 C=C(F)COc1ccc2c(cccc2c1)N 34a_100000034668_100009893438 [0,1,0,0,0,0|1,0,2]=4 2421 B17R2.37485 C=C(F)COc1ccc2c(cccc2c1)N 7a_100000034668_100000042424 [0,1,0,0,0,0|1,0,2]=4 2422 B17R2.37485 CC(C)C=Cc1ccc2c(=O)ccoc2c1 271570a_100016257149_100010062221 [0,1,0,0,0,0|2,0,1]=4 2423 B17R2.37485 CC(C)C=Cc1ccc2c(cccc2c1)N 271570a_100016257149_100010090037 [0,1,0,0,0,0|1,0,1]=3 2424 B17R2.37485 CC(C)C=Cc1ccc2c(cccc2c1)O 271570a_100016257149_100010202202 [0,1,0,0,0,0|1,0,1]=3 2425 B17R2.37485 CC(C)C=Cc1ccc2c(ccnc2c1)Cl 271570a_100016257149_100009996786 [0,1,0,0,0,0|2,0,1]=4 2426 B17R2.37485 CC(C)C=Cc1ccc2c(ccnc2c1)N 271570a_100016257149_200009816820 [0,1,0,0,0,0|2,0,1]=4 2427 B17R2.37485 CC(C)C=Cc1ccc2c(ccnc2c1)O 271570a_100016257149_100000756855 [0,1,0,0,0,0|2,0,1]=4 2428 B17R2.37485 CC(C)C=Cc1ccc2c(nccc2c1)N 271570a_100016257149_100000732483 [0,1,0,0,0,0|2,0,1]=4 2429 B17R2.37485 CC(C)C=Cc1ccc2c(nccc2c1)O 271570a_100016257149_100000760485 [0,1,0,0,0,0|2,0,1]=4 2430 B17R2.37485 CC(C)C=Cc1cnc2c(cccc2c1)Br 271570a_100016257149_100010204298 [0,1,0,0,0,0|2,0,1]=4 2431 B17R2.37485 CC(C)C=Cc1cnc2c(cccc2c1)Cl 271570a_100016257149_100000759377 [0,1,0,0,0,0|2,0,1]=4 2432 B17R2.37485 CC(C)C=Cc1cnc2c(cccc2c1)F 271570a_100016257149_100000049890 [0,1,0,0,0,0|2,0,1]=4 2433 B17R2.37485 CC(C)C=Cc1cnc2c(cccc2c1)N 271570a_100016257149_100000702407 [0,1,0,0,0,0|2,0,1]=4 2434 B17R2.37485 CC(C)CNc1cc2[nH]ccc(=O)c2cn1 27a_100000210953_100000101246 [0,1,0,0,0,0|3,0,0]=4 2435 B17R2.37485 CC(C)CNc1cc2ccnc(c2cn1)O 27a_100000210953_100020669822 [0,1,0,0,0,0|3,0,0]=4 2436 B17R2.37485 CC(C)CNc1ccc2c(=O)[nH]cnc2c1 27a_100000210953_100000230960 [0,1,0,0,0,0|3,0,0]=4 2437 B17R2.37485 CC(C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000210624 [0,1,0,0,0,0|1,0,0]=2 2438 B17R2.37485 CC(C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000210760 [0,1,0,0,0,0|1,0,0]=2 2439 B17R2.37485 CC(C)CNc1ccc2c(ccnc2c1)Cl 27a_100000210953_100009996786 [0,1,0,0,0,0|2,0,0]=3 2440 B17R2.37485 CC(C)CNc1ccc2c(ncnc2c1)N 27a_100000210953_100010199758 [0,1,0,0,0,0|3,0,0]=4 2441 B17R2.37485 CC(C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210624 [0,1,0,0,0,0|1,0,0]=2 2442 B17R2.37485 CC(C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210760 [0,1,0,0,0,0|1,0,0]=2 2443 B17R2.37485 CC(C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210624 [0,1,0,0,0,0|1,0,0]=2 2444 B17R2.37485 CC(C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210760 [0,1,0,0,0,0|1,0,0]=2 2445 B17R2.37485 CC(C)COc1ccc2c(c1)CCCC2=O 7a_100000746981_100000210760 [0,1,0,0,0,0|0,0,3]=4 2446 B17R2.37485 CC(C)COc1ccc2c(c1)CCNC2=O 34a_100000087030_100000210624 [0,1,0,0,0,0|1,0,2]=4 2447 B17R2.37485 CC(C)COc1ccc2c(c1)CCNC2=O 7a_100000087030_100000210760 [0,1,0,0,0,0|1,0,2]=4 2448 B17R2.37485 CC(C)COc1ccc2c(c1)OCCC2=O 34a_100000089553_100000210624 [0,1,0,0,0,0|1,0,2]=4 2449 B17R2.37485 CC(C)COc1ccc2c(c1)OCCC2=O 7a_100000089553_100000210760 [0,1,0,0,0,0|1,0,2]=4 2450 B17R2.37485 CC(C)COc1ccc2c(cccc2c1)N 34a_100000034668_100000210624 [0,1,0,0,0,0|0,0,0]=1 2451 B17R2.37485 CC(C)COc1ccc2c(cccc2c1)N 7a_100000034668_100000210760 [0,1,0,0,0,0|0,0,0]=1 2452 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210624 [0,1,0,0,0,0|1,0,0]=2 2453 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210760 [0,1,0,0,0,0|1,0,0]=2 2454 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210624 [0,1,0,0,0,0|1,0,0]=2 2455 B17R2.37485 CC(C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210760 [0,1,0,0,0,0|1,0,0]=2 2456 B17R2.37485 CC(C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210624 [0,1,0,0,0,0|1,0,0]=2 2457 B17R2.37485 CC(C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210760 [0,1,0,0,0,0|1,0,0]=2 2458 B17R2.37485 CC(C)COc1cnc2c(cccc2c1)F 34a_100012184956_100000210624 [0,1,0,0,0,0|1,0,0]=2 2459 B17R2.37485 CC(C)COc1cnc2c(cccc2c1)F 7a_100012184956_100000210760 [0,1,0,0,0,0|1,0,0]=2 2460 B17R2.37485 CC(C)CSc1cc2[nH]ccc(=O)c2cn1 62a_100000210624_100000101246 [0,1,0,0,0,0|2,1,0]=4 2461 B17R2.37485 CC(C)CSc1cc2cc[nH]c(=O)c2cn1 62a_100010134373_100000210760 [0,1,0,0,0,0|2,1,0]=4 2462 B17R2.37485 CC(C)CSc1cc2ccnc(c2cn1)O 62a_100000210624_100020669822 [0,1,0,0,0,0|2,1,0]=4 2463 B17R2.37485 CC(C)CSc1ccc2c(=O)[nH]cnc2c1 62a_100000210624_100000230960 [0,1,0,0,0,0|2,1,0]=4 2464 B17R2.37485 CC(C)CSc1ccc2c(=O)ccoc2c1 62a_100000210624_100010062221 [0,1,0,0,0,0|1,1,0]=3 2465 B17R2.37485 CC(C)CSc1ccc2c(cccc2c1)N 62a_100000210624_100010090037 [0,1,0,0,0,0|0,1,0]=2 2466 B17R2.37485 CC(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000210760 [0,1,0,0,0,0|0,1,0]=2 2467 B17R2.37485 CC(C)CSc1ccc2c(cccc2c1)O 62a_100000210624_100010202202 [0,1,0,0,0,0|0,1,0]=2 2468 B17R2.37485 CC(C)CSc1ccc2c(ccnc2c1)Cl 62a_100000210624_100009996786 [0,1,0,0,0,0|1,1,0]=3 2469 B17R2.37485 CC(C)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210760 [0,1,0,0,0,0|1,1,0]=3 2470 B17R2.37485 CC(C)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210760 [0,1,0,0,0,0|1,1,0]=3 2471 B17R2.37485 CC(C)CSc1ccc2c(ccnc2c1)O 62a_100000210624_100000756855 [0,1,0,0,0,0|1,1,0]=3 2472 B17R2.37485 CC(C)CSc1ccc2c(nccc2c1)N 62a_100000210624_100000732483 [0,1,0,0,0,0|1,1,0]=3 2473 B17R2.37485 CC(C)CSc1ccc2c(nccc2c1)N 62a_100000732483_100000210760 [0,1,0,0,0,0|1,1,0]=3 2474 B17R2.37485 CC(C)CSc1ccc2c(nccc2c1)O 62a_100000210624_100000760485 [0,1,0,0,0,0|1,1,0]=3 2475 B17R2.37485 CC(C)CSc1ccc2c(ncnc2c1)N 62a_100000210624_100010199758 [0,1,0,0,0,0|2,1,0]=4 2476 B17R2.37485 CC(C)CSc1ccc2c(ncnc2c1)N 62a_100010199758_100000210760 [0,1,0,0,0,0|2,1,0]=4 2477 B17R2.37485 CC(C)CSc1ccc2c(nncc2c1)O 62a_100000210624_100000724280 [0,1,0,0,0,0|2,1,0]=4 2478 B17R2.37485 CC(C)CSc1cnc2c(cccc2c1)Br 62a_100000210624_100010204298 [0,1,0,0,0,0|1,1,0]=3 2479 B17R2.37485 CC(C)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210760 [0,1,0,0,0,0|1,1,0]=3 2480 B17R2.37485 CC(C)CSc1cnc2c(cccc2c1)Cl 62a_100000210624_100000759377 [0,1,0,0,0,0|1,1,0]=3 2481 B17R2.37485 CC(C)CSc1cnc2c(cccc2c1)F 62a_100000049890_100000210760 [0,1,0,0,0,0|1,1,0]=3 2482 B17R2.37485 CC(C)CSc1cnc2c(cccc2c1)F 62a_100000210624_100000049890 [0,1,0,0,0,0|1,1,0]=3 2483 B17R2.37485 CC(C)CSc1cnc2c(cccc2c1)N 62a_100000210624_100000702407 [0,1,0,0,0,0|1,1,0]=3 2484 B17R2.37485 CC(C)CSc1cnc2c(nccc2c1)O 62a_100000210624_100010117065 [0,1,0,0,0,0|2,1,0]=4 2485 B17R2.37485 CC(O)C=Cc1ccc2c(cccc2c1)N 271570a_200011019289_100010090037 [0,1,0,0,0,0|2,0,1]=4 2486 B17R2.37485 CC(O)C=Cc1ccc2c(cccc2c1)O 271570a_200011019289_100010202202 [0,1,0,0,0,0|2,0,1]=4 2487 B17R2.37485 CC(O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011218427 [0,1,0,0,0,0|2,0,0]=3 2488 B17R2.37485 CC(O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100011218427 [0,1,0,0,0,0|2,0,0]=3 2489 B17R2.37485 CC(O)CNc1ccc2c(ccnc2c1)Cl 27a_100000210904_100009996786 [0,1,0,0,0,0|3,0,0]=4 2490 B17R2.37485 CC(O)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011218427 [0,1,0,0,0,0|2,0,0]=3 2491 B17R2.37485 CC(O)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100011218427 [0,1,0,0,0,0|2,0,0]=3 2492 B17R2.37485 CC(O)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100011218427 [0,1,0,0,0,0|2,0,0]=3 2493 B17R2.37485 CC(O)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100011218427 [0,1,0,0,0,0|2,0,0]=3 2494 B17R2.37485 CC(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100011218427 [0,1,0,0,0,0|1,0,0]=2 2495 B17R2.37485 CC(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100011218427 [0,1,0,0,0,0|1,0,0]=2 2496 B17R2.37485 CC(O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011218427 [0,1,0,0,0,0|2,0,0]=3 2497 B17R2.37485 CC(O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100011218427 [0,1,0,0,0,0|2,0,0]=3 2498 B17R2.37485 CC(O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011218427 [0,1,0,0,0,0|2,0,0]=3 2499 B17R2.37485 CC(O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011218427 [0,1,0,0,0,0|2,0,0]=3 2500 B17R2.37485 CC(O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011218427 [0,1,0,0,0,0|2,0,0]=3 2501 B17R2.37485 CC(O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100011218427 [0,1,0,0,0,0|2,0,0]=3 2502 B17R2.37485 CC(O)COc1cnc2c(cccc2c1)F 34a_100012184956_100011218427 [0,1,0,0,0,0|2,0,0]=3 2503 B17R2.37485 CC(O)COc1cnc2c(cccc2c1)F 7a_100012184956_100011218427 [0,1,0,0,0,0|2,0,0]=3 2504 B17R2.37485 CC(O)CSc1ccc2c(=O)ccoc2c1 62a_100011218427_100010062221 [0,1,0,0,0,0|2,1,0]=4 2505 B17R2.37485 CC(O)CSc1ccc2c(cccc2c1)N 62a_100010090037_100011218427 [0,1,0,0,0,0|1,1,0]=3 2506 B17R2.37485 CC(O)CSc1ccc2c(cccc2c1)N 62a_100011218427_100010090037 [0,1,0,0,0,0|1,1,0]=3 2507 B17R2.37485 CC(O)CSc1ccc2c(cccc2c1)O 62a_100011218427_100010202202 [0,1,0,0,0,0|1,1,0]=3 2508 B17R2.37485 CC(O)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011218427 [0,1,0,0,0,0|2,1,0]=4 2509 B17R2.37485 CC(O)CSc1ccc2c(ccnc2c1)Cl 62a_100011218427_100009996786 [0,1,0,0,0,0|2,1,0]=4 2510 B17R2.37485 CC(O)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100011218427 [0,1,0,0,0,0|2,1,0]=4 2511 B17R2.37485 CC(O)CSc1ccc2c(ccnc2c1)O 62a_100011218427_100000756855 [0,1,0,0,0,0|2,1,0]=4 2512 B17R2.37485 CC(O)CSc1ccc2c(nccc2c1)N 62a_100000732483_100011218427 [0,1,0,0,0,0|2,1,0]=4 2513 B17R2.37485 CC(O)CSc1ccc2c(nccc2c1)N 62a_100011218427_100000732483 [0,1,0,0,0,0|2,1,0]=4 2514 B17R2.37485 CC(O)CSc1ccc2c(nccc2c1)O 62a_100011218427_100000760485 [0,1,0,0,0,0|2,1,0]=4 2515 B17R2.37485 CC(O)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100011218427 [0,1,0,0,0,0|2,1,0]=4 2516 B17R2.37485 CC(O)CSc1cnc2c(cccc2c1)Br 62a_100011218427_100010204298 [0,1,0,0,0,0|2,1,0]=4 2517 B17R2.37485 CC(O)CSc1cnc2c(cccc2c1)Cl 62a_100011218427_100000759377 [0,1,0,0,0,0|2,1,0]=4 2518 B17R2.37485 CC(O)CSc1cnc2c(cccc2c1)F 62a_100000049890_100011218427 [0,1,0,0,0,0|2,1,0]=4 2519 B17R2.37485 CC(O)CSc1cnc2c(cccc2c1)F 62a_100011218427_100000049890 [0,1,0,0,0,0|2,1,0]=4 2520 B17R2.37485 CC(O)CSc1cnc2c(cccc2c1)N 62a_100011218427_100000702407 [0,1,0,0,0,0|2,1,0]=4 2521 B17R2.37485 C[C@@H](O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100009817552 [0,1,0,0,0,0|2,0,0]=3 2522 B17R2.37485 C[C@@H](O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100009817552 [0,1,0,0,0,0|2,0,0]=3 2523 B17R2.37485 C[C@@H](O)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100009817552 [0,1,0,0,0,0|2,0,0]=3 2524 B17R2.37485 C[C@@H](O)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100009817552 [0,1,0,0,0,0|2,0,0]=3 2525 B17R2.37485 C[C@@H](O)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100009817552 [0,1,0,0,0,0|2,0,0]=3 2526 B17R2.37485 C[C@@H](O)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100009817552 [0,1,0,0,0,0|2,0,0]=3 2527 B17R2.37485 C[C@@H](O)COc1ccc2c(cccc2c1)N 34a_100000034668_100009817552 [0,1,0,0,0,0|1,0,0]=2 2528 B17R2.37485 C[C@@H](O)COc1ccc2c(cccc2c1)N 7a_100000034668_100009817552 [0,1,0,0,0,0|1,0,0]=2 2529 B17R2.37485 C[C@@H](O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100009817552 [0,1,0,0,0,0|2,0,0]=3 2530 B17R2.37485 C[C@@H](O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100009817552 [0,1,0,0,0,0|2,0,0]=3 2531 B17R2.37485 C[C@@H](O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009817552 [0,1,0,0,0,0|2,0,0]=3 2532 B17R2.37485 C[C@@H](O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009817552 [0,1,0,0,0,0|2,0,0]=3 2533 B17R2.37485 C[C@@H](O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100009817552 [0,1,0,0,0,0|2,0,0]=3 2534 B17R2.37485 C[C@@H](O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100009817552 [0,1,0,0,0,0|2,0,0]=3 2535 B17R2.37485 C[C@@H](O)COc1cnc2c(cccc2c1)F 34a_100012184956_100009817552 [0,1,0,0,0,0|2,0,0]=3 2536 B17R2.37485 C[C@@H](O)COc1cnc2c(cccc2c1)F 7a_100012184956_100009817552 [0,1,0,0,0,0|2,0,0]=3 2537 B17R2.37485 C[C@@H](O)CSc1ccc2c(=O)ccoc2c1 62a_100009817552_100010062221 [0,1,0,0,0,0|2,1,0]=4 2538 B17R2.37485 C[C@@H](O)CSc1ccc2c(cccc2c1)N 62a_100009817552_100010090037 [0,1,0,0,0,0|1,1,0]=3 2539 B17R2.37485 C[C@@H](O)CSc1ccc2c(cccc2c1)N 62a_100010090037_100009817552 [0,1,0,0,0,0|1,1,0]=3 2540 B17R2.37485 C[C@@H](O)CSc1ccc2c(cccc2c1)O 62a_100009817552_100010202202 [0,1,0,0,0,0|1,1,0]=3 2541 B17R2.37485 C[C@@H](O)CSc1ccc2c(ccnc2c1)Cl 62a_100009817552_100009996786 [0,1,0,0,0,0|2,1,0]=4 2542 B17R2.37485 C[C@@H](O)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100009817552 [0,1,0,0,0,0|2,1,0]=4 2543 B17R2.37485 C[C@@H](O)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100009817552 [0,1,0,0,0,0|2,1,0]=4 2544 B17R2.37485 C[C@@H](O)CSc1ccc2c(ccnc2c1)O 62a_100009817552_100000756855 [0,1,0,0,0,0|2,1,0]=4 2545 B17R2.37485 C[C@@H](O)CSc1ccc2c(nccc2c1)N 62a_100000732483_100009817552 [0,1,0,0,0,0|2,1,0]=4 2546 B17R2.37485 C[C@@H](O)CSc1ccc2c(nccc2c1)N 62a_100009817552_100000732483 [0,1,0,0,0,0|2,1,0]=4 2547 B17R2.37485 C[C@@H](O)CSc1ccc2c(nccc2c1)O 62a_100009817552_100000760485 [0,1,0,0,0,0|2,1,0]=4 2548 B17R2.37485 C[C@@H](O)CSc1cnc2c(cccc2c1)Br 62a_100009817552_100010204298 [0,1,0,0,0,0|2,1,0]=4 2549 B17R2.37485 C[C@@H](O)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100009817552 [0,1,0,0,0,0|2,1,0]=4 2550 B17R2.37485 C[C@@H](O)CSc1cnc2c(cccc2c1)Cl 62a_100009817552_100000759377 [0,1,0,0,0,0|2,1,0]=4 2551 B17R2.37485 C[C@@H](O)CSc1cnc2c(cccc2c1)F 62a_100000049890_100009817552 [0,1,0,0,0,0|2,1,0]=4 2552 B17R2.37485 C[C@@H](O)CSc1cnc2c(cccc2c1)F 62a_100009817552_100000049890 [0,1,0,0,0,0|2,1,0]=4 2553 B17R2.37485 C[C@@H](O)CSc1cnc2c(cccc2c1)N 62a_100009817552_100000702407 [0,1,0,0,0,0|2,1,0]=4 2554 B17R2.37485 Cc1cccc2c1ncc(c2)C=CC(C)C 271570a_100016257149_100009829671 [0,1,0,0,0,0|2,0,1]=4 2555 B17R2.37485 Cc1cccc2c1ncc(c2)SCC(C)C 62a_100000210624_100009829671 [0,1,0,0,0,0|1,1,0]=3 2556 B17R2.37485 Cc1cccc2c1ncc(c2)SCC(C)O 62a_100011218427_100009829671 [0,1,0,0,0,0|2,1,0]=4 2557 B17R2.37485 Cc1cccc2c1ncc(c2)SC[C@@H](C)O 62a_100009817552_100009829671 [0,1,0,0,0,0|2,1,0]=4 2558 B17R2.37485 Cc1ccnc2c1ccc(c2)C=CC(C)C 271570a_100016257149_100010132309 [0,1,0,0,0,0|2,0,1]=4 2559 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(C)C 34a_200009854145_100000210624 [0,1,0,0,0,0|1,0,0]=2 2560 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(C)C 7a_200009854145_100000210760 [0,1,0,0,0,0|1,0,0]=2 2561 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(C)O 34a_200009854145_100011218427 [0,1,0,0,0,0|2,0,0]=3 2562 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(C)O 7a_200009854145_100011218427 [0,1,0,0,0,0|2,0,0]=3 2563 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(F)F 34a_200009854145_100011934356 [0,1,0,0,0,0|3,0,0]=4 2564 B17R2.37485 Cc1ccnc2c1ccc(c2)OCC(F)F 7a_200009854145_100011934356 [0,1,0,0,0,0|3,0,0]=4 2565 B17R2.37485 Cc1ccnc2c1ccc(c2)OC[C@@H](C)O 34a_200009854145_100009817552 [0,1,0,0,0,0|2,0,0]=3 2566 B17R2.37485 Cc1ccnc2c1ccc(c2)OC[C@@H](C)O 7a_200009854145_100009817552 [0,1,0,0,0,0|2,0,0]=3 2567 B17R2.37485 Cc1ccnc2c1ccc(c2)SCC(C)C 62a_100000210624_100010132309 [0,1,0,0,0,0|1,1,0]=3 2568 B17R2.37485 Cc1ccnc2c1ccc(c2)SCC(C)C 62a_100010132309_100000210760 [0,1,0,0,0,0|1,1,0]=3 2569 B17R2.37485 Cc1ccnc2c1ccc(c2)SCC(C)O 62a_100010132309_100011218427 [0,1,0,0,0,0|2,1,0]=4 2570 B17R2.37485 Cc1ccnc2c1ccc(c2)SCC(C)O 62a_100011218427_100010132309 [0,1,0,0,0,0|2,1,0]=4 2571 B17R2.37485 Cc1ccnc2c1ccc(c2)SC[C@@H](C)O 62a_100009817552_100010132309 [0,1,0,0,0,0|2,1,0]=4 2572 B17R2.37485 Cc1ccnc2c1ccc(c2)SC[C@@H](C)O 62a_100010132309_100009817552 [0,1,0,0,0,0|2,1,0]=4 2573 B17R2.37485 FC(F)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011934356 [0,1,0,0,0,0|3,0,0]=4 2574 B17R2.37485 FC(F)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100011934356 [0,1,0,0,0,0|3,0,0]=4 2575 B17R2.37485 FC(F)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011934356 [0,1,0,0,0,0|3,0,0]=4 2576 B17R2.37485 FC(F)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011934356 [0,1,0,0,0,0|3,0,0]=4 2577 B17R2.37485 FC(F)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011934356 [0,1,0,0,0,0|3,0,0]=4 2578 B17R2.37485 FC(F)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100011934356 [0,1,0,0,0,0|3,0,0]=4 2579 B17R2.37485 Fc1cccc2c1ncc(c2)OCC(F)F 34a_100012184956_100011934356 [0,1,0,0,0,0|3,0,0]=4 2580 B17R2.37485 Fc1cccc2c1ncc(c2)OCC(F)F 7a_100012184956_100011934356 [0,1,0,0,0,0|3,0,0]=4 2581 B17R2.37485 NC(=O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000187820 [0,1,0,0,0,0|2,0,1]=4 2582 B17R2.37485 NC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000187820 [0,1,0,0,0,0|2,0,1]=4 2583 B17R2.37485 Nc1cccc2c1ccc(c2)OCC(=O)[O-] 34a_100000034668_100020667443 [0,1,0,0,0,0|2,0,1]=4 2584 B17R2.37485 Nc1cccc2c1ccc(c2)OCC(F)F 34a_100000034668_100011934356 [0,1,0,0,0,0|2,0,0]=3 2585 B17R2.37485 Nc1cccc2c1ccc(c2)OCC(F)F 7a_100000034668_100011934356 [0,1,0,0,0,0|2,0,0]=3 2586 B17R2.37485 Nc1cccc2c1ccc(c2)OC[N+](=O)[O-] 34a_100000034668_100000761209 [0,1,0,0,0,0|3,0,0]=4 2587 B17R2.37485 Nc1cccc2c1ccc(c2)SCC(F)F 62a_100010090037_100011934356 [0,1,0,0,0,0|2,1,0]=4 2588 B17R2.37485 Nc1cccc2c1ccc(c2)SCC(F)F 62a_100011934356_100010090037 [0,1,0,0,0,0|2,1,0]=4 2589 B17R2.37485 O=c1[nH]ccc2c1ccc(c2)OCC(F)F 34a_100009857879_100011934356 [0,1,0,0,0,0|3,0,0]=4 2590 B17R2.37485 O=c1[nH]ccc2c1ccc(c2)OCC(F)F 7a_100009857879_100011934356 [0,1,0,0,0,0|3,0,0]=4 2591 B17R2.37485 O=c1ccoc2c1ccc(c2)OCC(F)F 34a_200000065989_100011934356 [0,1,0,0,0,0|3,0,0]=4 2592 B17R2.37485 O=c1ccoc2c1ccc(c2)OCC(F)F 7a_200000065989_100011934356 [0,1,0,0,0,0|3,0,0]=4 2593 B17R2.37485 Oc1cccc2c1ccc(c2)NCC(F)F 34a_100000035793_100011934356 [0,1,0,0,0,0|3,0,0]=4 2594 B17R2.37485 Oc1cccc2c1ccc(c2)NCC(F)F 7a_100000035793_100011934356 [0,1,0,0,0,0|3,0,0]=4 2595 B17R2.37485 Oc1cccc2c1ccc(c2)SCC(F)F 62a_100011934356_100010202202 [0,1,0,0,0,0|2,1,0]=4 2596 B17R2.40403 C=C(C)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100000748629 [0,1,0,0,0,0|1,0,2]=4 2597 B17R2.40403 C=C(C)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000748629 [0,1,0,0,0,0|1,0,2]=4 2598 B17R2.40403 C=C(C)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000748629 [0,1,0,0,0,0|0,0,2]=3 2599 B17R2.40403 C=C(C)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000748629 [0,1,0,0,0,0|0,0,2]=3 2600 B17R2.40403 C=C(C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000748629 [0,1,0,0,0,0|1,0,2]=4 2601 B17R2.40403 C=C(C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000748629 [0,1,0,0,0,0|1,0,2]=4 2602 B17R2.40403 C=C(C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000748629 [0,1,0,0,0,0|1,0,2]=4 2603 B17R2.40403 C=C(C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000748629 [0,1,0,0,0,0|1,0,2]=4 2604 B17R2.40403 C=C(C)COc1cc(c2ncccc2c1)F 34a_100009888031_100000748629 [0,1,0,0,0,0|1,0,2]=4 2605 B17R2.40403 C=C(C)COc1cc(c2ncccc2c1)F 7a_100009888031_100000748629 [0,1,0,0,0,0|1,0,2]=4 2606 B17R2.40403 C=C(C)COc1cc(c2ncccc2c1)N 34a_100000083691_100000748629 [0,1,0,0,0,0|1,0,2]=4 2607 B17R2.40403 C=C(C)CSc1cc(c2ccccc2c1)N 62a_100000748629_100010171453 [0,1,0,0,0,0|0,1,2]=4 2608 B17R2.40403 C=C(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000211660 [0,1,0,0,0,0|0,1,2]=4 2609 B17R2.40403 C=C(C)CSc1cc(c2ccccc2c1)O 62a_100000748629_100010089979 [0,1,0,0,0,0|0,1,2]=4 2610 B17R2.40403 C=C(F)COc1cc(c2ccccc2c1)Br 34a_100010001680_100009893438 [0,1,0,0,0,0|1,0,2]=4 2611 B17R2.40403 C=C(F)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000042424 [0,1,0,0,0,0|1,0,2]=4 2612 B17R2.40403 CC(C)C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016257149_100000090176 [0,1,0,0,0,0|2,0,1]=4 2613 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2c1)N 271570a_100016257149_100010171453 [0,1,0,0,0,0|1,0,1]=3 2614 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2c1)O 271570a_100016257149_100010089979 [0,1,0,0,0,0|1,0,1]=3 2615 B17R2.40403 CC(C)C=Cc1cc(c2ccccc2n1)N 271570a_100016257149_100010197925 [0,1,0,0,0,0|2,0,1]=4 2616 B17R2.40403 CC(C)C=Cc1cc(c2cccnc2c1)N 271570a_100016257149_200010263263 [0,1,0,0,0,0|2,0,1]=4 2617 B17R2.40403 CC(C)C=Cc1cc(c2cnccc2c1)F 271570a_100016257149_100011068762 [0,1,0,0,0,0|2,0,1]=4 2618 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)Cl 271570a_100016257149_200010369337 [0,1,0,0,0,0|2,0,1]=4 2619 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)F 271570a_100016257149_100010234705 [0,1,0,0,0,0|2,0,1]=4 2620 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)N 271570a_100016257149_100009814519 [0,1,0,0,0,0|2,0,1]=4 2621 B17R2.40403 CC(C)C=Cc1cc(c2ncccc2c1)O 271570a_100016257149_100010248853 [0,1,0,0,0,0|2,0,1]=4 2622 B17R2.40403 CC(C)C=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016257149_200010000521 [0,1,0,0,0,0|2,0,1]=4 2623 B17R2.40403 CC(C)C=Cc1cc2ccccc2c(n1)N 271570a_100016257149_100009957331 [0,1,0,0,0,0|2,0,1]=4 2624 B17R2.40403 CC(C)CNc1cc(=O)n2ccccc2n1 27a_100000210953_100000707704 [0,1,0,0,0,0|3,0,0]=4 2625 B17R2.40403 CC(C)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210624 [0,1,0,0,0,0|1,0,0]=2 2626 B17R2.40403 CC(C)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210760 [0,1,0,0,0,0|1,0,0]=2 2627 B17R2.40403 CC(C)CNc1cc(c2cnccc2c1)F 27a_100000210953_100011068762 [0,1,0,0,0,0|2,0,0]=3 2628 B17R2.40403 CC(C)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210624 [0,1,0,0,0,0|2,0,0]=3 2629 B17R2.40403 CC(C)CNc1cc(c2nccnc2c1)F 27a_100000210953_100010079260 [0,1,0,0,0,0|3,0,0]=4 2630 B17R2.40403 CC(C)CNc1nc(c2ccccc2n1)N 27a_100000210953_100000690328 [0,1,0,0,0,0|3,0,0]=4 2631 B17R2.40403 CC(C)CNc1nc(c2ccccc2n1)O 27a_100000210953_100000187174 [0,1,0,0,0,0|3,0,0]=4 2632 B17R2.40403 CC(C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000210624 [0,1,0,0,0,0|2,0,0]=3 2633 B17R2.40403 CC(C)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000210624 [0,1,0,0,0,0|0,0,0]=1 2634 B17R2.40403 CC(C)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000210760 [0,1,0,0,0,0|0,0,0]=1 2635 B17R2.40403 CC(C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000210624 [0,1,0,0,0,0|1,0,0]=2 2636 B17R2.40403 CC(C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000210760 [0,1,0,0,0,0|1,0,0]=2 2637 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210624 [0,1,0,0,0,0|1,0,0]=2 2638 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210760 [0,1,0,0,0,0|1,0,0]=2 2639 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)F 34a_100009888031_100000210624 [0,1,0,0,0,0|1,0,0]=2 2640 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)F 7a_100009888031_100000210760 [0,1,0,0,0,0|1,0,0]=2 2641 B17R2.40403 CC(C)COc1cc(c2ncccc2c1)N 34a_100000083691_100000210624 [0,1,0,0,0,0|1,0,0]=2 2642 B17R2.40403 CC(C)CSc1cc(=O)c2ccccc2[nH]1 62a_100000210624_100000090176 [0,1,0,0,0,0|1,1,0]=3 2643 B17R2.40403 CC(C)CSc1cc(=O)n2ccccc2n1 62a_100000210624_100000707704 [0,1,0,0,0,0|2,1,0]=4 2644 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)N 62a_100000210624_100010171453 [0,1,0,0,0,0|0,1,0]=2 2645 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000210760 [0,1,0,0,0,0|0,1,0]=2 2646 B17R2.40403 CC(C)CSc1cc(c2ccccc2c1)O 62a_100000210624_100010089979 [0,1,0,0,0,0|0,1,0]=2 2647 B17R2.40403 CC(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000210760 [0,1,0,0,0,0|1,1,0]=3 2648 B17R2.40403 CC(C)CSc1cc(c2cccnc2c1)N 62a_100000210624_200010263263 [0,1,0,0,0,0|1,1,0]=3 2649 B17R2.40403 CC(C)CSc1cc(c2cccnc2c1)N 62a_200010263263_100000210760 [0,1,0,0,0,0|1,1,0]=3 2650 B17R2.40403 CC(C)CSc1cc(c2cnccc2c1)F 62a_100000210624_100011068762 [0,1,0,0,0,0|1,1,0]=3 2651 B17R2.40403 CC(C)CSc1cc(c2cnccc2c1)F 62a_100011068762_100000210760 [0,1,0,0,0,0|1,1,0]=3 2652 B17R2.40403 CC(C)CSc1cc(c2ncccc2c1)Cl 62a_100000210624_200010369337 [0,1,0,0,0,0|1,1,0]=3 2653 B17R2.40403 CC(C)CSc1cc(c2ncccc2c1)F 62a_100000210624_100010234705 [0,1,0,0,0,0|1,1,0]=3 2654 B17R2.40403 CC(C)CSc1cc(c2ncccc2c1)F 62a_100010234705_100000210760 [0,1,0,0,0,0|1,1,0]=3 2655 B17R2.40403 CC(C)CSc1cc(c2ncccc2c1)N 62a_100000210624_100009814519 [0,1,0,0,0,0|1,1,0]=3 2656 B17R2.40403 CC(C)CSc1cc(c2ncccc2c1)O 62a_100000210624_100010248853 [0,1,0,0,0,0|1,1,0]=3 2657 B17R2.40403 CC(C)CSc1cc(c2nccnc2c1)F 62a_100000210624_100010079260 [0,1,0,0,0,0|2,1,0]=4 2658 B17R2.40403 CC(C)CSc1cc(c2nccnc2c1)F 62a_100010079260_100000210760 [0,1,0,0,0,0|2,1,0]=4 2659 B17R2.40403 CC(C)CSc1cc2ccccc2c(=O)[nH]1 62a_100000210624_200015811170 [0,1,0,0,0,0|1,1,0]=3 2660 B17R2.40403 CC(C)CSc1cc2ccccc2c(n1)N 62a_100000210624_100009957331 [0,1,0,0,0,0|1,1,0]=3 2661 B17R2.40403 CC(C)CSc1cc2ccccc2c(n1)N 62a_100009957331_100000210760 [0,1,0,0,0,0|1,1,0]=3 2662 B17R2.40403 CC(C)CSc1nc(c2ccccc2n1)N 62a_100000690328_100000210760 [0,1,0,0,0,0|2,1,0]=4 2663 B17R2.40403 CC(C)CSc1nc(c2ccccc2n1)O 62a_100000210624_100000187174 [0,1,0,0,0,0|2,1,0]=4 2664 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2c1)N 271570a_200011019289_100010171453 [0,1,0,0,0,0|2,0,1]=4 2665 B17R2.40403 CC(O)C=Cc1cc(c2ccccc2c1)O 271570a_200011019289_100010089979 [0,1,0,0,0,0|2,0,1]=4 2666 B17R2.40403 CC(O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011218427 [0,1,0,0,0,0|2,0,0]=3 2667 B17R2.40403 CC(O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100011218427 [0,1,0,0,0,0|2,0,0]=3 2668 B17R2.40403 CC(O)CNc1cc(c2cnccc2c1)F 27a_100000210904_100011068762 [0,1,0,0,0,0|3,0,0]=4 2669 B17R2.40403 CC(O)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011218427 [0,1,0,0,0,0|3,0,0]=4 2670 B17R2.40403 CC(O)COc1cc(=O)n2ccccc2n1 34a_100000751361_100011218427 [0,1,0,0,0,0|3,0,0]=4 2671 B17R2.40403 CC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011218427 [0,1,0,0,0,0|1,0,0]=2 2672 B17R2.40403 CC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011218427 [0,1,0,0,0,0|1,0,0]=2 2673 B17R2.40403 CC(O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011218427 [0,1,0,0,0,0|2,0,0]=3 2674 B17R2.40403 CC(O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100011218427 [0,1,0,0,0,0|2,0,0]=3 2675 B17R2.40403 CC(O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011218427 [0,1,0,0,0,0|2,0,0]=3 2676 B17R2.40403 CC(O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100011218427 [0,1,0,0,0,0|2,0,0]=3 2677 B17R2.40403 CC(O)COc1cc(c2ncccc2c1)F 34a_100009888031_100011218427 [0,1,0,0,0,0|2,0,0]=3 2678 B17R2.40403 CC(O)COc1cc(c2ncccc2c1)F 7a_100009888031_100011218427 [0,1,0,0,0,0|2,0,0]=3 2679 B17R2.40403 CC(O)COc1cc(c2ncccc2c1)N 34a_100000083691_100011218427 [0,1,0,0,0,0|2,0,0]=3 2680 B17R2.40403 CC(O)CSc1cc(=O)c2ccccc2[nH]1 62a_100011218427_100000090176 [0,1,0,0,0,0|2,1,0]=4 2681 B17R2.40403 CC(O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100011218427 [0,1,0,0,0,0|1,1,0]=3 2682 B17R2.40403 CC(O)CSc1cc(c2ccccc2c1)N 62a_100011218427_100010171453 [0,1,0,0,0,0|1,1,0]=3 2683 B17R2.40403 CC(O)CSc1cc(c2ccccc2c1)O 62a_100011218427_100010089979 [0,1,0,0,0,0|1,1,0]=3 2684 B17R2.40403 CC(O)CSc1cc(c2ccccc2n1)N 62a_100010197925_100011218427 [0,1,0,0,0,0|2,1,0]=4 2685 B17R2.40403 CC(O)CSc1cc(c2cccnc2c1)N 62a_100011218427_200010263263 [0,1,0,0,0,0|2,1,0]=4 2686 B17R2.40403 CC(O)CSc1cc(c2cccnc2c1)N 62a_200010263263_100011218427 [0,1,0,0,0,0|2,1,0]=4 2687 B17R2.40403 CC(O)CSc1cc(c2cnccc2c1)F 62a_100011068762_100011218427 [0,1,0,0,0,0|2,1,0]=4 2688 B17R2.40403 CC(O)CSc1cc(c2cnccc2c1)F 62a_100011218427_100011068762 [0,1,0,0,0,0|2,1,0]=4 2689 B17R2.40403 CC(O)CSc1cc(c2ncccc2c1)Cl 62a_100011218427_200010369337 [0,1,0,0,0,0|2,1,0]=4 2690 B17R2.40403 CC(O)CSc1cc(c2ncccc2c1)F 62a_100010234705_100011218427 [0,1,0,0,0,0|2,1,0]=4 2691 B17R2.40403 CC(O)CSc1cc(c2ncccc2c1)F 62a_100011218427_100010234705 [0,1,0,0,0,0|2,1,0]=4 2692 B17R2.40403 CC(O)CSc1cc(c2ncccc2c1)N 62a_100011218427_100009814519 [0,1,0,0,0,0|2,1,0]=4 2693 B17R2.40403 CC(O)CSc1cc(c2ncccc2c1)O 62a_100011218427_100010248853 [0,1,0,0,0,0|2,1,0]=4 2694 B17R2.40403 CC(O)CSc1cc2ccccc2c(=O)[nH]1 62a_100011218427_200015811170 [0,1,0,0,0,0|2,1,0]=4 2695 B17R2.40403 CC(O)CSc1cc2ccccc2c(n1)N 62a_100009957331_100011218427 [0,1,0,0,0,0|2,1,0]=4 2696 B17R2.40403 CC(O)CSc1cc2ccccc2c(n1)N 62a_100011218427_100009957331 [0,1,0,0,0,0|2,1,0]=4 2697 B17R2.40403 C[C@@H](O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100009817552 [0,1,0,0,0,0|2,0,0]=3 2698 B17R2.40403 C[C@@H](O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100009817552 [0,1,0,0,0,0|2,0,0]=3 2699 B17R2.40403 C[C@@H](O)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100009817552 [0,1,0,0,0,0|3,0,0]=4 2700 B17R2.40403 C[C@@H](O)COc1cc(=O)n2ccccc2n1 34a_100000751361_100009817552 [0,1,0,0,0,0|3,0,0]=4 2701 B17R2.40403 C[C@@H](O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100009817552 [0,1,0,0,0,0|1,0,0]=2 2702 B17R2.40403 C[C@@H](O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100009817552 [0,1,0,0,0,0|1,0,0]=2 2703 B17R2.40403 C[C@@H](O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100009817552 [0,1,0,0,0,0|2,0,0]=3 2704 B17R2.40403 C[C@@H](O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100009817552 [0,1,0,0,0,0|2,0,0]=3 2705 B17R2.40403 C[C@@H](O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100009817552 [0,1,0,0,0,0|2,0,0]=3 2706 B17R2.40403 C[C@@H](O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100009817552 [0,1,0,0,0,0|2,0,0]=3 2707 B17R2.40403 C[C@@H](O)COc1cc(c2ncccc2c1)F 34a_100009888031_100009817552 [0,1,0,0,0,0|2,0,0]=3 2708 B17R2.40403 C[C@@H](O)COc1cc(c2ncccc2c1)F 7a_100009888031_100009817552 [0,1,0,0,0,0|2,0,0]=3 2709 B17R2.40403 C[C@@H](O)COc1cc(c2ncccc2c1)N 34a_100000083691_100009817552 [0,1,0,0,0,0|2,0,0]=3 2710 B17R2.40403 C[C@@H](O)CSc1cc(=O)c2ccccc2[nH]1 62a_100009817552_100000090176 [0,1,0,0,0,0|2,1,0]=4 2711 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2c1)N 62a_100009817552_100010171453 [0,1,0,0,0,0|1,1,0]=3 2712 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100009817552 [0,1,0,0,0,0|1,1,0]=3 2713 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2c1)O 62a_100009817552_100010089979 [0,1,0,0,0,0|1,1,0]=3 2714 B17R2.40403 C[C@@H](O)CSc1cc(c2ccccc2n1)N 62a_100010197925_100009817552 [0,1,0,0,0,0|2,1,0]=4 2715 B17R2.40403 C[C@@H](O)CSc1cc(c2cccnc2c1)N 62a_100009817552_200010263263 [0,1,0,0,0,0|2,1,0]=4 2716 B17R2.40403 C[C@@H](O)CSc1cc(c2cccnc2c1)N 62a_200010263263_100009817552 [0,1,0,0,0,0|2,1,0]=4 2717 B17R2.40403 C[C@@H](O)CSc1cc(c2cnccc2c1)F 62a_100009817552_100011068762 [0,1,0,0,0,0|2,1,0]=4 2718 B17R2.40403 C[C@@H](O)CSc1cc(c2cnccc2c1)F 62a_100011068762_100009817552 [0,1,0,0,0,0|2,1,0]=4 2719 B17R2.40403 C[C@@H](O)CSc1cc(c2ncccc2c1)Cl 62a_100009817552_200010369337 [0,1,0,0,0,0|2,1,0]=4 2720 B17R2.40403 C[C@@H](O)CSc1cc(c2ncccc2c1)F 62a_100009817552_100010234705 [0,1,0,0,0,0|2,1,0]=4 2721 B17R2.40403 C[C@@H](O)CSc1cc(c2ncccc2c1)F 62a_100010234705_100009817552 [0,1,0,0,0,0|2,1,0]=4 2722 B17R2.40403 C[C@@H](O)CSc1cc(c2ncccc2c1)N 62a_100009817552_100009814519 [0,1,0,0,0,0|2,1,0]=4 2723 B17R2.40403 C[C@@H](O)CSc1cc(c2ncccc2c1)O 62a_100009817552_100010248853 [0,1,0,0,0,0|2,1,0]=4 2724 B17R2.40403 C[C@@H](O)CSc1cc2ccccc2c(=O)[nH]1 62a_100009817552_200015811170 [0,1,0,0,0,0|2,1,0]=4 2725 B17R2.40403 C[C@@H](O)CSc1cc2ccccc2c(n1)N 62a_100009817552_100009957331 [0,1,0,0,0,0|2,1,0]=4 2726 B17R2.40403 C[C@@H](O)CSc1cc2ccccc2c(n1)N 62a_100009957331_100009817552 [0,1,0,0,0,0|2,1,0]=4 2727 B17R2.40403 Cc1cc(cc2c1nccc2)C=CC(C)C 271570a_100016257149_100010130319 [0,1,0,0,0,0|2,0,1]=4 2728 B17R2.40403 Cc1cc(cc2c1nccc2)SCC(C)C 62a_100000210624_100010130319 [0,1,0,0,0,0|1,1,0]=3 2729 B17R2.40403 Cc1cc(cc2c1nccc2)SCC(C)O 62a_100011218427_100010130319 [0,1,0,0,0,0|2,1,0]=4 2730 B17R2.40403 Cc1cc(cc2c1nccc2)SC[C@@H](C)O 62a_100009817552_100010130319 [0,1,0,0,0,0|2,1,0]=4 2731 B17R2.40403 Cc1cc(cc2c1nccn2)NCC(C)C 27a_100000210953_100010080486 [0,1,0,0,0,0|3,0,0]=4 2732 B17R2.40403 Cc1cc(cc2c1nccn2)SCC(C)C 62a_100000210624_100010080486 [0,1,0,0,0,0|2,1,0]=4 2733 B17R2.40403 Cc1cc(nc2c1cccc2)C=CC(C)C 271570a_100016257149_100012354972 [0,1,0,0,0,0|2,0,1]=4 2734 B17R2.40403 Cc1cc(nc2c1cccc2)NCC(C)C 27a_100000210953_100000184993 [0,1,0,0,0,0|2,0,0]=3 2735 B17R2.40403 Cc1cc(nc2c1cccc2)NCC(C)O 27a_100000210904_100000184993 [0,1,0,0,0,0|3,0,0]=4 2736 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)C 62a_100000210624_100000184993 [0,1,0,0,0,0|1,1,0]=3 2737 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)C 62a_100012354972_100000210760 [0,1,0,0,0,0|1,1,0]=3 2738 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)O 62a_100011218427_100000184993 [0,1,0,0,0,0|2,1,0]=4 2739 B17R2.40403 Cc1cc(nc2c1cccc2)SCC(C)O 62a_100012354972_100011218427 [0,1,0,0,0,0|2,1,0]=4 2740 B17R2.40403 Cc1cc(nc2c1cccc2)SC[C@@H](C)O 62a_100009817552_100000184993 [0,1,0,0,0,0|2,1,0]=4 2741 B17R2.40403 Cc1cc(nc2c1cccc2)SC[C@@H](C)O 62a_100012354972_100009817552 [0,1,0,0,0,0|2,1,0]=4 2742 B17R2.40403 Cc1nc(nc2c1cccc2)NCC(C)C 27a_100000210953_100000046098 [0,1,0,0,0,0|3,0,0]=4 2743 B17R2.40403 Cc1nc(nc2c1cccc2)SCC(C)C 62a_100000046098_100000210760 [0,1,0,0,0,0|2,1,0]=4 2744 B17R2.40403 Cc1nc(nc2c1cccc2)SCC(C)C 62a_100000210624_100000046098 [0,1,0,0,0,0|2,1,0]=4 2745 B17R2.40403 FC(F)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011934356 [0,1,0,0,0,0|3,0,0]=4 2746 B17R2.40403 FC(F)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100011934356 [0,1,0,0,0,0|3,0,0]=4 2747 B17R2.40403 FC(F)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011934356 [0,1,0,0,0,0|2,0,0]=3 2748 B17R2.40403 FC(F)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011934356 [0,1,0,0,0,0|2,0,0]=3 2749 B17R2.40403 FC(F)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011934356 [0,1,0,0,0,0|3,0,0]=4 2750 B17R2.40403 FC(F)COc1cc(c2cnccc2c1)Br 7a_100011009069_100011934356 [0,1,0,0,0,0|3,0,0]=4 2751 B17R2.40403 FC(F)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011934356 [0,1,0,0,0,0|3,0,0]=4 2752 B17R2.40403 FC(F)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100011934356 [0,1,0,0,0,0|3,0,0]=4 2753 B17R2.40403 Fc1cc(cc2c1nccc2)OCC(F)F 34a_100009888031_100011934356 [0,1,0,0,0,0|3,0,0]=4 2754 B17R2.40403 Fc1cc(cc2c1nccc2)OCC(F)F 7a_100009888031_100011934356 [0,1,0,0,0,0|3,0,0]=4 2755 B17R2.40403 NC(=O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000187820 [0,1,0,0,0,0|2,0,1]=4 2756 B17R2.40403 NC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000187820 [0,1,0,0,0,0|2,0,1]=4 2757 B17R2.40403 Nc1cc(cc2c1cccc2)SCC(F)F 62a_100010171453_100011934356 [0,1,0,0,0,0|2,1,0]=4 2758 B17R2.40403 Nc1cc(cc2c1cccc2)SCC(F)F 62a_100011934356_100010171453 [0,1,0,0,0,0|2,1,0]=4 2759 B17R2.40403 Nc1cc(cc2c1nccc2)OCC(F)F 34a_100000083691_100011934356 [0,1,0,0,0,0|3,0,0]=4 2760 B17R2.40403 O=C([O-])COc1cc(c2ccccc2c1)Br 34a_100010001680_100020667443 [0,1,0,0,0,0|2,0,1]=4 2761 B17R2.40403 O=[N+]([O-])COc1cc(c2ccccc2c1)Br 34a_100010001680_100000761209 [0,1,0,0,0,0|3,0,0]=4 2762 B17R2.40403 Oc1cc(cc2c1cccc2)SCC(F)F 62a_100011934356_100010089979 [0,1,0,0,0,0|2,1,0]=4 2763 B17R2.155580 C=C(C)CNc1ccc2ccccc2c1Br 34a_100000705303_100000748629 [0,1,0,0,0,0|1,0,2]=4 2764 B17R2.155580 C=C(C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000748629 [0,1,0,0,0,0|1,0,2]=4 2765 B17R2.155580 C=C(C)CNc1ccc2ccccc2c1O 34a_100000007060_100000748629 [0,1,0,0,0,0|1,0,2]=4 2766 B17R2.155580 C=C(C)COc1ccc2ccccc2c1Br 34a_100000183829_100000748629 [0,1,0,0,0,0|0,0,2]=3 2767 B17R2.155580 C=C(C)COc1ccc2ccccc2c1Br 7a_100000183829_100000748629 [0,1,0,0,0,0|0,0,2]=3 2768 B17R2.155580 C=C(C)COc1ccc2ccccc2c1C 34a_100009830054_100000748629 [0,1,0,0,0,0|0,0,2]=3 2769 B17R2.155580 C=C(C)COc1ccc2ccccc2c1C 7a_100009830054_100000748629 [0,1,0,0,0,0|0,0,2]=3 2770 B17R2.155580 C=C(C)COc1ccc2ccccc2c1Cl 34a_100000029778_100000748629 [0,1,0,0,0,0|0,0,2]=3 2771 B17R2.155580 C=C(C)COc1ccc2ccccc2c1Cl 7a_100000029778_100000748629 [0,1,0,0,0,0|0,0,2]=3 2772 B17R2.155580 C=C(C)COc1ccc2ccccc2c1I 34a_100000041551_100000748629 [0,1,0,0,0,0|0,0,2]=3 2773 B17R2.155580 C=C(C)COc1ccc2ccccc2c1I 7a_100000041551_100000748629 [0,1,0,0,0,0|0,0,2]=3 2774 B17R2.155580 C=C(C)COc1ccc2ccccc2c1N 34a_100000007056_100000748629 [0,1,0,0,0,0|0,0,2]=3 2775 B17R2.155580 C=C(C)COc1ccc2ccccc2c1N 7a_100000007056_100000748629 [0,1,0,0,0,0|0,0,2]=3 2776 B17R2.155580 C=C(C)COc1ccc2cccnc2c1Br 34a_100010173343_100000748629 [0,1,0,0,0,0|1,0,2]=4 2777 B17R2.155580 C=C(C)COc1ccc2cccnc2c1Br 7a_100010173343_100000748629 [0,1,0,0,0,0|1,0,2]=4 2778 B17R2.155580 C=C(C)COc1ccc2ccncc2c1Br 34a_200010115057_100000748629 [0,1,0,0,0,0|1,0,2]=4 2779 B17R2.155580 C=C(C)COc1ccc2ccncc2c1Br 7a_200010115057_100000748629 [0,1,0,0,0,0|1,0,2]=4 2780 B17R2.155580 C=C(C)COc1ccc2cnccc2c1Cl 34a_100009824633_100000748629 [0,1,0,0,0,0|1,0,2]=4 2781 B17R2.155580 C=C(C)COc1ccc2cnccc2c1Cl 7a_100009824633_100000748629 [0,1,0,0,0,0|1,0,2]=4 2782 B17R2.155580 C=C(C)CSc1ccc2ccccc2c1C 62a_100000748629_100010221197 [0,1,0,0,0,0|0,1,2]=4 2783 B17R2.155580 C=C(C)CSc1ccc2ccccc2c1C 62a_100010221197_100000211660 [0,1,0,0,0,0|0,1,2]=4 2784 B17R2.155580 C=C(C)CSc1ccc2ccccc2c1F 62a_100000748629_100009832041 [0,1,0,0,0,0|0,1,2]=4 2785 B17R2.155580 C=C(C)CSc1ccc2ccccc2c1F 62a_100009832041_100000211660 [0,1,0,0,0,0|0,1,2]=4 2786 B17R2.155580 C=C(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000211660 [0,1,0,0,0,0|0,1,2]=4 2787 B17R2.155580 C=C(C)CSc1ccc2ccccc2c1O 62a_100000748629_100009996032 [0,1,0,0,0,0|0,1,2]=4 2788 B17R2.155580 C=C(F)COc1ccc2ccccc2c1Br 34a_100000183829_100009893438 [0,1,0,0,0,0|1,0,2]=4 2789 B17R2.155580 C=C(F)COc1ccc2ccccc2c1Br 7a_100000183829_100000042424 [0,1,0,0,0,0|1,0,2]=4 2790 B17R2.155580 C=C(F)COc1ccc2ccccc2c1C 34a_100009830054_100009893438 [0,1,0,0,0,0|1,0,2]=4 2791 B17R2.155580 C=C(F)COc1ccc2ccccc2c1C 7a_100009830054_100000042424 [0,1,0,0,0,0|1,0,2]=4 2792 B17R2.155580 C=C(F)COc1ccc2ccccc2c1Cl 34a_100000029778_100009893438 [0,1,0,0,0,0|1,0,2]=4 2793 B17R2.155580 C=C(F)COc1ccc2ccccc2c1Cl 7a_100000029778_100000042424 [0,1,0,0,0,0|1,0,2]=4 2794 B17R2.155580 C=C(F)COc1ccc2ccccc2c1I 34a_100000041551_100009893438 [0,1,0,0,0,0|1,0,2]=4 2795 B17R2.155580 C=C(F)COc1ccc2ccccc2c1I 7a_100000041551_100000042424 [0,1,0,0,0,0|1,0,2]=4 2796 B17R2.155580 C=C(F)COc1ccc2ccccc2c1N 34a_100000007056_100009893438 [0,1,0,0,0,0|1,0,2]=4 2797 B17R2.155580 C=C(F)COc1ccc2ccccc2c1N 7a_100000007056_100000042424 [0,1,0,0,0,0|1,0,2]=4 2798 B17R2.155580 CC(=O)CSc1ccc2ccccc2c1Br 1458a_100021232008_200000210301 [0,1,0,0,0,0|1,1,1]=4 2799 B17R2.155580 CC(C)C=Cc1c[nH]c2ccccc2c1=O 271570a_100016257149_100012339567 [0,1,0,0,0,0|2,0,1]=4 2800 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1F 271570a_100016257149_100009832041 [0,1,0,0,0,0|1,0,1]=3 2801 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1N 271570a_100016257149_100009817101 [0,1,0,0,0,0|1,0,1]=3 2802 B17R2.155580 CC(C)C=Cc1ccc2ccccc2c1O 271570a_100016257149_100009996032 [0,1,0,0,0,0|1,0,1]=3 2803 B17R2.155580 CC(C)C=Cc1ccc2cccnc2c1F 271570a_100016257149_100010751467 [0,1,0,0,0,0|2,0,1]=4 2804 B17R2.155580 CC(C)C=Cc1ccc2cccnc2c1O 271570a_100016257149_100009816563 [0,1,0,0,0,0|2,0,1]=4 2805 B17R2.155580 CC(C)C=Cc1ccc2cnccc2c1N 271570a_100016257149_100010191621 [0,1,0,0,0,0|2,0,1]=4 2806 B17R2.155580 CC(C)C=Cc1ccc2ncccc2c1N 271570a_100016257149_200010235790 [0,1,0,0,0,0|2,0,1]=4 2807 B17R2.155580 CC(C)C=Cc1cnc2ccccc2c1Cl 271570a_100016257149_100012352519 [0,1,0,0,0,0|2,0,1]=4 2808 B17R2.155580 CC(C)C=Cc1cnc2ccccc2c1N 271570a_100016257149_100009995562 [0,1,0,0,0,0|2,0,1]=4 2809 B17R2.155580 CC(C)C=Cc1coc2ccccc2c1=O 271570a_100016257149_100009813851 [0,1,0,0,0,0|2,0,1]=4 2810 B17R2.155580 CC(C)C=Cc1ncc2ccccc2c1N 271570a_100016257149_100000087573 [0,1,0,0,0,0|2,0,1]=4 2811 B17R2.155580 CC(C)CNc1ccc2ccccc2c1Br 34a_100000705303_100000210624 [0,1,0,0,0,0|1,0,0]=2 2812 B17R2.155580 CC(C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000210624 [0,1,0,0,0,0|1,0,0]=2 2813 B17R2.155580 CC(C)CNc1ccc2ccccc2c1O 34a_100000007060_100000210624 [0,1,0,0,0,0|1,0,0]=2 2814 B17R2.155580 CC(C)CNc1ccc2cnccc2c1Cl 34a_100009851981_100000210624 [0,1,0,0,0,0|2,0,0]=3 2815 B17R2.155580 CC(C)CNc1ccc2ncccc2c1Br 34a_200009995563_100000210624 [0,1,0,0,0,0|2,0,0]=3 2816 B17R2.155580 CC(C)COC1CCc2ccccc2C1=O 34a_100000210257_100000229917 [0,1,0,0,0,0|0,0,3]=4 2817 B17R2.155580 CC(C)COc1ccc2ccccc2c1Br 34a_100000183829_100000210624 [0,1,0,0,0,0|0,0,0]=1 2818 B17R2.155580 CC(C)COc1ccc2ccccc2c1Br 7a_100000183829_100000210760 [0,1,0,0,0,0|0,0,0]=1 2819 B17R2.155580 CC(C)COc1ccc2ccccc2c1Cl 34a_100000029778_100000210624 [0,1,0,0,0,0|0,0,0]=1 2820 B17R2.155580 CC(C)COc1ccc2ccccc2c1Cl 7a_100000029778_100000210760 [0,1,0,0,0,0|0,0,0]=1 2821 B17R2.155580 CC(C)COc1ccc2ccccc2c1I 34a_100000041551_100000210624 [0,1,0,0,0,0|0,0,0]=1 2822 B17R2.155580 CC(C)COc1ccc2ccccc2c1I 7a_100000041551_100000210760 [0,1,0,0,0,0|0,0,0]=1 2823 B17R2.155580 CC(C)COc1ccc2ccccc2c1N 34a_100000007056_100000210624 [0,1,0,0,0,0|0,0,0]=1 2824 B17R2.155580 CC(C)COc1ccc2ccccc2c1N 7a_100000007056_100000210760 [0,1,0,0,0,0|0,0,0]=1 2825 B17R2.155580 CC(C)COc1ccc2cccnc2c1Br 34a_100010173343_100000210624 [0,1,0,0,0,0|1,0,0]=2 2826 B17R2.155580 CC(C)COc1ccc2cccnc2c1Br 7a_100010173343_100000210760 [0,1,0,0,0,0|1,0,0]=2 2827 B17R2.155580 CC(C)COc1ccc2ccncc2c1Br 34a_200010115057_100000210624 [0,1,0,0,0,0|1,0,0]=2 2828 B17R2.155580 CC(C)COc1ccc2ccncc2c1Br 7a_200010115057_100000210760 [0,1,0,0,0,0|1,0,0]=2 2829 B17R2.155580 CC(C)COc1ccc2cnccc2c1Cl 34a_100009824633_100000210624 [0,1,0,0,0,0|1,0,0]=2 2830 B17R2.155580 CC(C)COc1ccc2cnccc2c1Cl 7a_100009824633_100000210760 [0,1,0,0,0,0|1,0,0]=2 2831 B17R2.155580 CC(C)CSc1c[nH]c2ccccc2c1=O 62a_100000210624_100012348052 [0,1,0,0,0,0|1,1,0]=3 2832 B17R2.155580 CC(C)CSc1ccc2ccccc2c1F 62a_100000210624_100009832041 [0,1,0,0,0,0|0,1,0]=2 2833 B17R2.155580 CC(C)CSc1ccc2ccccc2c1F 62a_100009832041_100000210760 [0,1,0,0,0,0|0,1,0]=2 2834 B17R2.155580 CC(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000210760 [0,1,0,0,0,0|0,1,0]=2 2835 B17R2.155580 CC(C)CSc1ccc2ccccc2c1O 62a_100000210624_100009996032 [0,1,0,0,0,0|0,1,0]=2 2836 B17R2.155580 CC(C)CSc1ccc2cccnc2c1F 62a_100000210624_100010751467 [0,1,0,0,0,0|1,1,0]=3 2837 B17R2.155580 CC(C)CSc1ccc2cccnc2c1F 62a_100010751467_100000210760 [0,1,0,0,0,0|1,1,0]=3 2838 B17R2.155580 CC(C)CSc1ccc2cccnc2c1O 62a_100000210624_100009816563 [0,1,0,0,0,0|1,1,0]=3 2839 B17R2.155580 CC(C)CSc1ccc2cnccc2c1N 62a_100000210624_100010191621 [0,1,0,0,0,0|1,1,0]=3 2840 B17R2.155580 CC(C)CSc1ccc2cnccc2c1N 62a_100010191621_100000210760 [0,1,0,0,0,0|1,1,0]=3 2841 B17R2.155580 CC(C)CSc1ccc2ncccc2c1N 62a_200010235790_100000210760 [0,1,0,0,0,0|1,1,0]=3 2842 B17R2.155580 CC(C)CSc1cnc2ccccc2c1Cl 62a_100000210624_100012352519 [0,1,0,0,0,0|1,1,0]=3 2843 B17R2.155580 CC(C)CSc1cnc2ccccc2c1N 62a_100000210624_100009995562 [0,1,0,0,0,0|1,1,0]=3 2844 B17R2.155580 CC(C)CSc1cnc2ccccc2c1N 62a_100009995562_100000210760 [0,1,0,0,0,0|1,1,0]=3 2845 B17R2.155580 CC(C)CSc1coc2ccccc2c1=O 62a_100000210624_100009813851 [0,1,0,0,0,0|1,1,0]=3 2846 B17R2.155580 CC(C)CSc1ncc2ccccc2c1N 62a_100000210624_100000087573 [0,1,0,0,0,0|1,1,0]=3 2847 B17R2.155580 CC(C)CSc1ncc2ccccc2c1N 62a_100009995564_100000210760 [0,1,0,0,0,0|1,1,0]=3 2848 B17R2.155580 CC(C)CSc1nnc2ccccc2c1O 62a_100000210624_100000688347 [0,1,0,0,0,0|2,1,0]=4 2849 B17R2.155580 CC(C)NCc1ccc2ccccc2c1Br 207a_100138425928_100009813496 [0,1,0,0,0,0|2,0,0]=3 2850 B17R2.155580 CC(C)NCc1ccc2ccccc2c1Br 2230a_100138425928_100009813938 [0,1,0,0,0,0|2,0,0]=3 2851 B17R2.155580 CC(C)NCc1ccc2ccccc2c1Br 34a_100138425928_100009813938 [0,1,0,0,0,0|2,0,0]=3 2852 B17R2.155580 CC(C)OCc1ccc2ccccc2c1Br 34a_100000212225_100009813938 [0,1,0,0,0,0|2,0,0]=3 2853 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1Br 271570a_200011019289_200010089984 [0,1,0,0,0,0|2,0,1]=4 2854 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1F 271570a_200011019289_100009832041 [0,1,0,0,0,0|2,0,1]=4 2855 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1N 271570a_200011019289_100009817101 [0,1,0,0,0,0|2,0,1]=4 2856 B17R2.155580 CC(O)C=Cc1ccc2ccccc2c1O 271570a_200011019289_100009996032 [0,1,0,0,0,0|2,0,1]=4 2857 B17R2.155580 CC(O)CNc1ccc2ccccc2c1Br 34a_100000705303_100011218427 [0,1,0,0,0,0|2,0,0]=3 2858 B17R2.155580 CC(O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011218427 [0,1,0,0,0,0|2,0,0]=3 2859 B17R2.155580 CC(O)CNc1ccc2ccccc2c1O 34a_100000007060_100011218427 [0,1,0,0,0,0|2,0,0]=3 2860 B17R2.155580 CC(O)CNc1ccc2cnccc2c1Cl 34a_100009851981_100011218427 [0,1,0,0,0,0|3,0,0]=4 2861 B17R2.155580 CC(O)CNc1ccc2ncccc2c1Br 34a_200009995563_100011218427 [0,1,0,0,0,0|3,0,0]=4 2862 B17R2.155580 CC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100011218427 [0,1,0,0,0,0|1,0,0]=2 2863 B17R2.155580 CC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100011218427 [0,1,0,0,0,0|1,0,0]=2 2864 B17R2.155580 CC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100011218427 [0,1,0,0,0,0|1,0,0]=2 2865 B17R2.155580 CC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100011218427 [0,1,0,0,0,0|1,0,0]=2 2866 B17R2.155580 CC(O)COc1ccc2ccccc2c1I 34a_100000041551_100011218427 [0,1,0,0,0,0|1,0,0]=2 2867 B17R2.155580 CC(O)COc1ccc2ccccc2c1I 7a_100000041551_100011218427 [0,1,0,0,0,0|1,0,0]=2 2868 B17R2.155580 CC(O)COc1ccc2ccccc2c1N 34a_100000007056_100011218427 [0,1,0,0,0,0|1,0,0]=2 2869 B17R2.155580 CC(O)COc1ccc2ccccc2c1N 7a_100000007056_100011218427 [0,1,0,0,0,0|1,0,0]=2 2870 B17R2.155580 CC(O)COc1ccc2cccnc2c1Br 34a_100010173343_100011218427 [0,1,0,0,0,0|2,0,0]=3 2871 B17R2.155580 CC(O)COc1ccc2cccnc2c1Br 7a_100010173343_100011218427 [0,1,0,0,0,0|2,0,0]=3 2872 B17R2.155580 CC(O)COc1ccc2ccncc2c1Br 34a_200010115057_100011218427 [0,1,0,0,0,0|2,0,0]=3 2873 B17R2.155580 CC(O)COc1ccc2ccncc2c1Br 7a_200010115057_100011218427 [0,1,0,0,0,0|2,0,0]=3 2874 B17R2.155580 CC(O)COc1ccc2cnccc2c1Cl 34a_100009824633_100011218427 [0,1,0,0,0,0|2,0,0]=3 2875 B17R2.155580 CC(O)COc1ccc2cnccc2c1Cl 7a_100009824633_100011218427 [0,1,0,0,0,0|2,0,0]=3 2876 B17R2.155580 CC(O)CSc1c[nH]c2ccccc2c1=O 62a_100011218427_100012348052 [0,1,0,0,0,0|2,1,0]=4 2877 B17R2.155580 CC(O)CSc1ccc2ccccc2c1Br 62a_100011218427_200010089984 [0,1,0,0,0,0|1,1,0]=3 2878 B17R2.155580 CC(O)CSc1ccc2ccccc2c1Br 62a_200010089984_100011218427 [0,1,0,0,0,0|1,1,0]=3 2879 B17R2.155580 CC(O)CSc1ccc2ccccc2c1F 62a_100009832041_100011218427 [0,1,0,0,0,0|1,1,0]=3 2880 B17R2.155580 CC(O)CSc1ccc2ccccc2c1F 62a_100011218427_100009832041 [0,1,0,0,0,0|1,1,0]=3 2881 B17R2.155580 CC(O)CSc1ccc2ccccc2c1N 62a_100009817101_100011218427 [0,1,0,0,0,0|1,1,0]=3 2882 B17R2.155580 CC(O)CSc1ccc2ccccc2c1O 62a_100011218427_100009996032 [0,1,0,0,0,0|1,1,0]=3 2883 B17R2.155580 CC(O)CSc1ccc2cccnc2c1F 62a_100010751467_100011218427 [0,1,0,0,0,0|2,1,0]=4 2884 B17R2.155580 CC(O)CSc1ccc2cccnc2c1F 62a_100011218427_100010751467 [0,1,0,0,0,0|2,1,0]=4 2885 B17R2.155580 CC(O)CSc1ccc2cccnc2c1O 62a_100011218427_100009816563 [0,1,0,0,0,0|2,1,0]=4 2886 B17R2.155580 CC(O)CSc1ccc2cnccc2c1N 62a_100010191621_100011218427 [0,1,0,0,0,0|2,1,0]=4 2887 B17R2.155580 CC(O)CSc1ccc2cnccc2c1N 62a_100011218427_100010191621 [0,1,0,0,0,0|2,1,0]=4 2888 B17R2.155580 CC(O)CSc1ccc2ncccc2c1N 62a_200010235790_100011218427 [0,1,0,0,0,0|2,1,0]=4 2889 B17R2.155580 CC(O)CSc1cnc2ccccc2c1Cl 62a_100011218427_100012352519 [0,1,0,0,0,0|2,1,0]=4 2890 B17R2.155580 CC(O)CSc1cnc2ccccc2c1N 62a_100009995562_100011218427 [0,1,0,0,0,0|2,1,0]=4 2891 B17R2.155580 CC(O)CSc1cnc2ccccc2c1N 62a_100011218427_100009995562 [0,1,0,0,0,0|2,1,0]=4 2892 B17R2.155580 CC(O)CSc1coc2ccccc2c1=O 62a_100011218427_100009813851 [0,1,0,0,0,0|2,1,0]=4 2893 B17R2.155580 CC(O)CSc1ncc2ccccc2c1N 62a_100009995564_100011218427 [0,1,0,0,0,0|2,1,0]=4 2894 B17R2.155580 CC(O)CSc1ncc2ccccc2c1N 62a_100011218427_100000087573 [0,1,0,0,0,0|2,1,0]=4 2895 B17R2.155580 C[C@@H](O)CNc1ccc2ccccc2c1Br 34a_100000705303_100009817552 [0,1,0,0,0,0|2,0,0]=3 2896 B17R2.155580 C[C@@H](O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100009817552 [0,1,0,0,0,0|2,0,0]=3 2897 B17R2.155580 C[C@@H](O)CNc1ccc2ccccc2c1O 34a_100000007060_100009817552 [0,1,0,0,0,0|2,0,0]=3 2898 B17R2.155580 C[C@@H](O)CNc1ccc2cnccc2c1Cl 34a_100009851981_100009817552 [0,1,0,0,0,0|3,0,0]=4 2899 B17R2.155580 C[C@@H](O)CNc1ccc2ncccc2c1Br 34a_200009995563_100009817552 [0,1,0,0,0,0|3,0,0]=4 2900 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Br 34a_100000183829_100009817552 [0,1,0,0,0,0|1,0,0]=2 2901 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Br 7a_100000183829_100009817552 [0,1,0,0,0,0|1,0,0]=2 2902 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Cl 34a_100000029778_100009817552 [0,1,0,0,0,0|1,0,0]=2 2903 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1Cl 7a_100000029778_100009817552 [0,1,0,0,0,0|1,0,0]=2 2904 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1I 34a_100000041551_100009817552 [0,1,0,0,0,0|1,0,0]=2 2905 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1I 7a_100000041551_100009817552 [0,1,0,0,0,0|1,0,0]=2 2906 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1N 34a_100000007056_100009817552 [0,1,0,0,0,0|1,0,0]=2 2907 B17R2.155580 C[C@@H](O)COc1ccc2ccccc2c1N 7a_100000007056_100009817552 [0,1,0,0,0,0|1,0,0]=2 2908 B17R2.155580 C[C@@H](O)COc1ccc2cccnc2c1Br 34a_100010173343_100009817552 [0,1,0,0,0,0|2,0,0]=3 2909 B17R2.155580 C[C@@H](O)COc1ccc2cccnc2c1Br 7a_100010173343_100009817552 [0,1,0,0,0,0|2,0,0]=3 2910 B17R2.155580 C[C@@H](O)COc1ccc2ccncc2c1Br 34a_200010115057_100009817552 [0,1,0,0,0,0|2,0,0]=3 2911 B17R2.155580 C[C@@H](O)COc1ccc2ccncc2c1Br 7a_200010115057_100009817552 [0,1,0,0,0,0|2,0,0]=3 2912 B17R2.155580 C[C@@H](O)COc1ccc2cnccc2c1Cl 34a_100009824633_100009817552 [0,1,0,0,0,0|2,0,0]=3 2913 B17R2.155580 C[C@@H](O)COc1ccc2cnccc2c1Cl 7a_100009824633_100009817552 [0,1,0,0,0,0|2,0,0]=3 2914 B17R2.155580 C[C@@H](O)CSc1c[nH]c2ccccc2c1=O 62a_100009817552_100012348052 [0,1,0,0,0,0|2,1,0]=4 2915 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1Br 62a_100009817552_200010089984 [0,1,0,0,0,0|1,1,0]=3 2916 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1Br 62a_200010089984_100009817552 [0,1,0,0,0,0|1,1,0]=3 2917 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1F 62a_100009817552_100009832041 [0,1,0,0,0,0|1,1,0]=3 2918 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1F 62a_100009832041_100009817552 [0,1,0,0,0,0|1,1,0]=3 2919 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1N 62a_100009817101_100009817552 [0,1,0,0,0,0|1,1,0]=3 2920 B17R2.155580 C[C@@H](O)CSc1ccc2ccccc2c1O 62a_100009817552_100009996032 [0,1,0,0,0,0|1,1,0]=3 2921 B17R2.155580 C[C@@H](O)CSc1ccc2cccnc2c1F 62a_100009817552_100010751467 [0,1,0,0,0,0|2,1,0]=4 2922 B17R2.155580 C[C@@H](O)CSc1ccc2cccnc2c1F 62a_100010751467_100009817552 [0,1,0,0,0,0|2,1,0]=4 2923 B17R2.155580 C[C@@H](O)CSc1ccc2cccnc2c1O 62a_100009817552_100009816563 [0,1,0,0,0,0|2,1,0]=4 2924 B17R2.155580 C[C@@H](O)CSc1ccc2cnccc2c1N 62a_100009817552_100010191621 [0,1,0,0,0,0|2,1,0]=4 2925 B17R2.155580 C[C@@H](O)CSc1ccc2cnccc2c1N 62a_100010191621_100009817552 [0,1,0,0,0,0|2,1,0]=4 2926 B17R2.155580 C[C@@H](O)CSc1ccc2ncccc2c1N 62a_200010235790_100009817552 [0,1,0,0,0,0|2,1,0]=4 2927 B17R2.155580 C[C@@H](O)CSc1cnc2ccccc2c1Cl 62a_100009817552_100012352519 [0,1,0,0,0,0|2,1,0]=4 2928 B17R2.155580 C[C@@H](O)CSc1cnc2ccccc2c1N 62a_100009817552_100009995562 [0,1,0,0,0,0|2,1,0]=4 2929 B17R2.155580 C[C@@H](O)CSc1cnc2ccccc2c1N 62a_100009995562_100009817552 [0,1,0,0,0,0|2,1,0]=4 2930 B17R2.155580 C[C@@H](O)CSc1coc2ccccc2c1=O 62a_100009817552_100009813851 [0,1,0,0,0,0|2,1,0]=4 2931 B17R2.155580 C[C@@H](O)CSc1ncc2ccccc2c1N 62a_100009817552_100000087573 [0,1,0,0,0,0|2,1,0]=4 2932 B17R2.155580 C[C@@H](O)CSc1ncc2ccccc2c1N 62a_100009995564_100009817552 [0,1,0,0,0,0|2,1,0]=4 2933 B17R2.155580 Cc1c(ccc2c1cccc2)C=CC(C)C 271570a_100016257149_100010221197 [0,1,0,0,0,0|1,0,1]=3 2934 B17R2.155580 Cc1c(ccc2c1cccc2)C=CC(C)O 271570a_200011019289_100010221197 [0,1,0,0,0,0|2,0,1]=4 2935 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(=O)N 34a_100009830054_100000187820 [0,1,0,0,0,0|2,0,1]=4 2936 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(=O)N 7a_100009830054_100000187820 [0,1,0,0,0,0|2,0,1]=4 2937 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(=O)[O-] 34a_100009830054_100020667443 [0,1,0,0,0,0|2,0,1]=4 2938 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)C 34a_100009830054_100000210624 [0,1,0,0,0,0|0,0,0]=1 2939 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)C 7a_100009830054_100000210760 [0,1,0,0,0,0|0,0,0]=1 2940 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)O 34a_100009830054_100011218427 [0,1,0,0,0,0|1,0,0]=2 2941 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(C)O 7a_100009830054_100011218427 [0,1,0,0,0,0|1,0,0]=2 2942 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(F)F 34a_100009830054_100011934356 [0,1,0,0,0,0|2,0,0]=3 2943 B17R2.155580 Cc1c(ccc2c1cccc2)OCC(F)F 7a_100009830054_100011934356 [0,1,0,0,0,0|2,0,0]=3 2944 B17R2.155580 Cc1c(ccc2c1cccc2)OC[C@@H](C)O 34a_100009830054_100009817552 [0,1,0,0,0,0|1,0,0]=2 2945 B17R2.155580 Cc1c(ccc2c1cccc2)OC[C@@H](C)O 7a_100009830054_100009817552 [0,1,0,0,0,0|1,0,0]=2 2946 B17R2.155580 Cc1c(ccc2c1cccc2)OC[N+](=O)[O-] 34a_100009830054_100000761209 [0,1,0,0,0,0|3,0,0]=4 2947 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(C)C 62a_100000210624_100010221197 [0,1,0,0,0,0|0,1,0]=2 2948 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(C)C 62a_100010221197_100000210760 [0,1,0,0,0,0|0,1,0]=2 2949 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(C)O 62a_100010221197_100011218427 [0,1,0,0,0,0|1,1,0]=3 2950 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(C)O 62a_100011218427_100010221197 [0,1,0,0,0,0|1,1,0]=3 2951 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(F)F 62a_100010221197_100011934356 [0,1,0,0,0,0|2,1,0]=4 2952 B17R2.155580 Cc1c(ccc2c1cccc2)SCC(F)F 62a_100011934356_100010221197 [0,1,0,0,0,0|2,1,0]=4 2953 B17R2.155580 Cc1c(ccc2c1cccc2)SC[C@@H](C)O 62a_100009817552_100010221197 [0,1,0,0,0,0|1,1,0]=3 2954 B17R2.155580 Cc1c(ccc2c1cccc2)SC[C@@H](C)O 62a_100010221197_100009817552 [0,1,0,0,0,0|1,1,0]=3 2955 B17R2.155580 Cc1c(ccc2c1cccn2)C=CC(C)C 271570a_100016257149_200010137439 [0,1,0,0,0,0|2,0,1]=4 2956 B17R2.155580 Cc1c(ccc2c1cccn2)SCC(C)C 62a_100000210624_200010137439 [0,1,0,0,0,0|1,1,0]=3 2957 B17R2.155580 Cc1c(ccc2c1cccn2)SCC(C)C 62a_200010137439_100000210760 [0,1,0,0,0,0|1,1,0]=3 2958 B17R2.155580 Cc1c(ccc2c1cccn2)SCC(C)O 62a_100011218427_200010137439 [0,1,0,0,0,0|2,1,0]=4 2959 B17R2.155580 Cc1c(ccc2c1cccn2)SCC(C)O 62a_200010137439_100011218427 [0,1,0,0,0,0|2,1,0]=4 2960 B17R2.155580 Cc1c(ccc2c1cccn2)SC[C@@H](C)O 62a_100009817552_200010137439 [0,1,0,0,0,0|2,1,0]=4 2961 B17R2.155580 Cc1c(ccc2c1cccn2)SC[C@@H](C)O 62a_200010137439_100009817552 [0,1,0,0,0,0|2,1,0]=4 2962 B17R2.155580 Cc1c(ccc2c1nccc2)C=CC(C)C 271570a_100016257149_100010214467 [0,1,0,0,0,0|2,0,1]=4 2963 B17R2.155580 Cc1c(ccc2c1nccc2)SCC(C)C 62a_100000210624_100010214467 [0,1,0,0,0,0|1,1,0]=3 2964 B17R2.155580 Cc1c(ccc2c1nccc2)SCC(C)O 62a_100011218427_100010214467 [0,1,0,0,0,0|2,1,0]=4 2965 B17R2.155580 Cc1c(ccc2c1nccc2)SC[C@@H](C)O 62a_100009817552_100010214467 [0,1,0,0,0,0|2,1,0]=4 2966 B17R2.155580 Cc1c(ccc2c1nccn2)NCC(C)C 27a_100000210953_100135414757 [0,1,0,0,0,0|3,0,0]=4 2967 B17R2.155580 Cc1c(ccc2c1nccn2)SCC(C)C 62a_100000210624_100135414757 [0,1,0,0,0,0|2,1,0]=4 2968 B17R2.155580 Cc1c(ccc2c1nccn2)SCC(C)C 62a_100135414757_100000210760 [0,1,0,0,0,0|2,1,0]=4 2969 B17R2.155580 FC(F)CNc1ccc2ccccc2c1Br 34a_100000705303_100011934356 [0,1,0,0,0,0|3,0,0]=4 2970 B17R2.155580 FC(F)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011934356 [0,1,0,0,0,0|3,0,0]=4 2971 B17R2.155580 FC(F)COc1ccc2ccccc2c1Br 34a_100000183829_100011934356 [0,1,0,0,0,0|2,0,0]=3 2972 B17R2.155580 FC(F)COc1ccc2ccccc2c1Br 7a_100000183829_100011934356 [0,1,0,0,0,0|2,0,0]=3 2973 B17R2.155580 FC(F)COc1ccc2ccccc2c1Cl 34a_100000029778_100011934356 [0,1,0,0,0,0|2,0,0]=3 2974 B17R2.155580 FC(F)COc1ccc2ccccc2c1Cl 7a_100000029778_100011934356 [0,1,0,0,0,0|2,0,0]=3 2975 B17R2.155580 FC(F)COc1ccc2ccccc2c1I 34a_100000041551_100011934356 [0,1,0,0,0,0|2,0,0]=3 2976 B17R2.155580 FC(F)COc1ccc2ccccc2c1I 7a_100000041551_100011934356 [0,1,0,0,0,0|2,0,0]=3 2977 B17R2.155580 FC(F)COc1ccc2cccnc2c1Br 34a_100010173343_100011934356 [0,1,0,0,0,0|3,0,0]=4 2978 B17R2.155580 FC(F)COc1ccc2cccnc2c1Br 7a_100010173343_100011934356 [0,1,0,0,0,0|3,0,0]=4 2979 B17R2.155580 FC(F)COc1ccc2ccncc2c1Br 34a_200010115057_100011934356 [0,1,0,0,0,0|3,0,0]=4 2980 B17R2.155580 FC(F)COc1ccc2ccncc2c1Br 7a_200010115057_100011934356 [0,1,0,0,0,0|3,0,0]=4 2981 B17R2.155580 FC(F)COc1ccc2cnccc2c1Cl 34a_100009824633_100011934356 [0,1,0,0,0,0|3,0,0]=4 2982 B17R2.155580 FC(F)COc1ccc2cnccc2c1Cl 7a_100009824633_100011934356 [0,1,0,0,0,0|3,0,0]=4 2983 B17R2.155580 FC(F)CSc1ccc2ccccc2c1Br 62a_100011934356_200010089984 [0,1,0,0,0,0|2,1,0]=4 2984 B17R2.155580 FC(F)CSc1ccc2ccccc2c1Br 62a_200010089984_100011934356 [0,1,0,0,0,0|2,1,0]=4 2985 B17R2.155580 Fc1c(ccc2c1cccc2)SCC(F)F 62a_100009832041_100011934356 [0,1,0,0,0,0|2,1,0]=4 2986 B17R2.155580 Fc1c(ccc2c1cccc2)SCC(F)F 62a_100011934356_100009832041 [0,1,0,0,0,0|2,1,0]=4 2987 B17R2.155580 NC(=O)COc1ccc2ccccc2c1Br 34a_100000183829_100000187820 [0,1,0,0,0,0|2,0,1]=4 2988 B17R2.155580 NC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000187820 [0,1,0,0,0,0|2,0,1]=4 2989 B17R2.155580 NC(=O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000187820 [0,1,0,0,0,0|2,0,1]=4 2990 B17R2.155580 NC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000187820 [0,1,0,0,0,0|2,0,1]=4 2991 B17R2.155580 NC(=O)COc1ccc2ccccc2c1I 34a_100000041551_100000187820 [0,1,0,0,0,0|2,0,1]=4 2992 B17R2.155580 NC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000187820 [0,1,0,0,0,0|2,0,1]=4 2993 B17R2.155580 NC(=O)COc1ccc2ccccc2c1N 34a_100000007056_100000187820 [0,1,0,0,0,0|2,0,1]=4 2994 B17R2.155580 NC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000187820 [0,1,0,0,0,0|2,0,1]=4 2995 B17R2.155580 Nc1c(ccc2c1cccc2)OCC(=O)[O-] 34a_100000007056_100020667443 [0,1,0,0,0,0|2,0,1]=4 2996 B17R2.155580 Nc1c(ccc2c1cccc2)OCC(F)F 34a_100000007056_100011934356 [0,1,0,0,0,0|2,0,0]=3 2997 B17R2.155580 Nc1c(ccc2c1cccc2)OCC(F)F 7a_100000007056_100011934356 [0,1,0,0,0,0|2,0,0]=3 2998 B17R2.155580 Nc1c(ccc2c1cccc2)OC[N+](=O)[O-] 34a_100000007056_100000761209 [0,1,0,0,0,0|3,0,0]=4 2999 B17R2.155580 Nc1c(ccc2c1cccc2)SCC(F)F 62a_100009817101_100011934356 [0,1,0,0,0,0|2,1,0]=4 3000 B17R2.155580 O=C([O-])COc1ccc2ccccc2c1Br 34a_100000183829_100020667443 [0,1,0,0,0,0|2,0,1]=4 3001 B17R2.155580 O=C([O-])COc1ccc2ccccc2c1Cl 34a_100000029778_100020667443 [0,1,0,0,0,0|2,0,1]=4 3002 B17R2.155580 O=C([O-])COc1ccc2ccccc2c1I 34a_100000041551_100020667443 [0,1,0,0,0,0|2,0,1]=4 3003 B17R2.155580 O=[N+]([O-])COc1ccc2ccccc2c1Br 34a_100000183829_100000761209 [0,1,0,0,0,0|3,0,0]=4 3004 B17R2.155580 O=[N+]([O-])COc1ccc2ccccc2c1Cl 34a_100000029778_100000761209 [0,1,0,0,0,0|3,0,0]=4 3005 B17R2.155580 O=[N+]([O-])COc1ccc2ccccc2c1I 34a_100000041551_100000761209 [0,1,0,0,0,0|3,0,0]=4 3006 B17R2.155580 Oc1c(ccc2c1cccc2)NCC(F)F 34a_100000007060_100011934356 [0,1,0,0,0,0|3,0,0]=4 3007 B17R2.155580 Oc1c(ccc2c1cccc2)SCC(F)F 62a_100011934356_100009996032 [0,1,0,0,0,0|2,1,0]=4 3008 B17R2.155580 [13CH3]C(=O)CSc1ccc2ccccc2c1Br 1458a_100021232008_200025704644 [0,1,0,0,0,0|1,1,1]=4 3009 B17R2.252072 C=C(C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000748629 [0,1,0,0,0,0|1,0,2]=4 3010 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000748629 [0,1,0,0,0,0|0,0,2]=3 3011 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000748629 [0,1,0,0,0,0|0,0,2]=3 3012 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)C 34a_200000091600_100000748629 [0,1,0,0,0,0|0,0,2]=3 3013 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)C 7a_200000091600_100000748629 [0,1,0,0,0,0|0,0,2]=3 3014 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)F 34a_100000091619_100000748629 [0,1,0,0,0,0|0,0,2]=3 3015 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)F 7a_100000091619_100000748629 [0,1,0,0,0,0|0,0,2]=3 3016 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)N 34a_100000034012_100000748629 [0,1,0,0,0,0|0,0,2]=3 3017 B17R2.252072 C=C(C)COc1ccc2cccc(c2c1)N 7a_100000034012_100000748629 [0,1,0,0,0,0|0,0,2]=3 3018 B17R2.252072 C=C(C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000748629 [0,1,0,0,0,0|1,0,2]=4 3019 B17R2.252072 C=C(C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000748629 [0,1,0,0,0,0|1,0,2]=4 3020 B17R2.252072 C=C(C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000748629 [0,1,0,0,0,0|1,0,2]=4 3021 B17R2.252072 C=C(C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000748629 [0,1,0,0,0,0|1,0,2]=4 3022 B17R2.252072 C=C(C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000748629 [0,1,0,0,0,0|1,0,2]=4 3023 B17R2.252072 C=C(C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000748629 [0,1,0,0,0,0|1,0,2]=4 3024 B17R2.252072 C=C(C)CSc1ccc2cccc(c2c1)C 62a_100000748629_100010089936 [0,1,0,0,0,0|0,1,2]=4 3025 B17R2.252072 C=C(C)CSc1ccc2cccc(c2c1)N 62a_100000748629_100010090012 [0,1,0,0,0,0|0,1,2]=4 3026 B17R2.252072 C=C(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000211660 [0,1,0,0,0,0|0,1,2]=4 3027 B17R2.252072 C=C(C)CSc1ccc2cccc(c2c1)O 62a_100000748629_100010089991 [0,1,0,0,0,0|0,1,2]=4 3028 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)Br 34a_100010169565_100009893438 [0,1,0,0,0,0|1,0,2]=4 3029 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000042424 [0,1,0,0,0,0|1,0,2]=4 3030 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)C 34a_200000091600_100009893438 [0,1,0,0,0,0|1,0,2]=4 3031 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)C 7a_200000091600_100000042424 [0,1,0,0,0,0|1,0,2]=4 3032 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)F 34a_100000091619_100009893438 [0,1,0,0,0,0|1,0,2]=4 3033 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)F 7a_100000091619_100000042424 [0,1,0,0,0,0|1,0,2]=4 3034 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)N 34a_100000034012_100009893438 [0,1,0,0,0,0|1,0,2]=4 3035 B17R2.252072 C=C(F)COc1ccc2cccc(c2c1)N 7a_100000034012_100000042424 [0,1,0,0,0,0|1,0,2]=4 3036 B17R2.252072 CC(C)C=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100016257149_100000746092 [0,1,0,0,0,0|2,0,1]=4 3037 B17R2.252072 CC(C)C=Cc1ccc2cccc(c2c1)N 271570a_100016257149_100010090012 [0,1,0,0,0,0|1,0,1]=3 3038 B17R2.252072 CC(C)C=Cc1ccc2cccc(c2c1)O 271570a_100016257149_100010089991 [0,1,0,0,0,0|1,0,1]=3 3039 B17R2.252072 CC(C)C=Cc1ccc2cccc(c2n1)F 271570a_100016257149_100012017632 [0,1,0,0,0,0|2,0,1]=4 3040 B17R2.252072 CC(C)C=Cc1ccc2cccc(c2n1)O 271570a_100016257149_100010153751 [0,1,0,0,0,0|2,0,1]=4 3041 B17R2.252072 CC(C)C=Cc1ccc2ccnc(c2c1)N 271570a_100016257149_100012352255 [0,1,0,0,0,0|2,0,1]=4 3042 B17R2.252072 CC(C)C=Cc1ccc2ccnc(c2c1)O 271570a_100016257149_100000010956 [0,1,0,0,0,0|2,0,1]=4 3043 B17R2.252072 CC(C)C=Cc1ccc2cncc(c2c1)O 271570a_100016257149_100010136424 [0,1,0,0,0,0|2,0,1]=4 3044 B17R2.252072 CC(C)C=Cc1ccc2nccc(c2c1)Cl 271570a_100016257149_100011310491 [0,1,0,0,0,0|2,0,1]=4 3045 B17R2.252072 CC(C)C=Cc1ccc2nccc(c2c1)N 271570a_100016257149_100011620571 [0,1,0,0,0,0|2,0,1]=4 3046 B17R2.252072 CC(C)C=Cc1ccc2occc(=O)c2c1 271570a_100016257149_100009813387 [0,1,0,0,0,0|2,0,1]=4 3047 B17R2.252072 CC(C)C=Cc1cnc2cccc(c2c1)N 271570a_100016257149_100010264086 [0,1,0,0,0,0|2,0,1]=4 3048 B17R2.252072 CC(C)C=Cc1cnc2cccc(c2c1)O 271570a_100016257149_200010153752 [0,1,0,0,0,0|2,0,1]=4 3049 B17R2.252072 CC(C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000210624 [0,1,0,0,0,0|1,0,0]=2 3050 B17R2.252072 CC(C)CNc1ccc2cccc(c2n1)O 27a_100000210953_100010153751 [0,1,0,0,0,0|2,0,0]=3 3051 B17R2.252072 CC(C)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210624 [0,1,0,0,0,0|2,0,0]=3 3052 B17R2.252072 CC(C)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210624 [0,1,0,0,0,0|2,0,0]=3 3053 B17R2.252072 CC(C)CNc1ccc2occc(=O)c2c1 34a_100000088200_100000210624 [0,1,0,0,0,0|2,0,0]=3 3054 B17R2.252072 CC(C)COc1ccc2c(c1)C(=O)CCC2 34a_100000723779_100000210624 [0,1,0,0,0,0|0,0,3]=4 3055 B17R2.252072 CC(C)COc1ccc2c(c1)C(=O)CCC2 7a_100000723779_100000210760 [0,1,0,0,0,0|0,0,3]=4 3056 B17R2.252072 CC(C)COc1ccc2c(c1)C(=O)CCO2 34a_100000078962_100000210624 [0,1,0,0,0,0|1,0,2]=4 3057 B17R2.252072 CC(C)COc1ccc2c(c1)C(=O)CCO2 7a_100000078962_100000210760 [0,1,0,0,0,0|1,0,2]=4 3058 B17R2.252072 CC(C)COc1ccc2c(c1)C(=O)NCC2 34a_100000081307_100000210624 [0,1,0,0,0,0|1,0,2]=4 3059 B17R2.252072 CC(C)COc1ccc2c(c1)C(=O)NCC2 7a_100000081307_100000210760 [0,1,0,0,0,0|1,0,2]=4 3060 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000210624 [0,1,0,0,0,0|0,0,0]=1 3061 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000210760 [0,1,0,0,0,0|0,0,0]=1 3062 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)F 34a_100000091619_100000210624 [0,1,0,0,0,0|0,0,0]=1 3063 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)F 7a_100000091619_100000210760 [0,1,0,0,0,0|0,0,0]=1 3064 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)N 34a_100000034012_100000210624 [0,1,0,0,0,0|0,0,0]=1 3065 B17R2.252072 CC(C)COc1ccc2cccc(c2c1)N 7a_100000034012_100000210760 [0,1,0,0,0,0|0,0,0]=1 3066 B17R2.252072 CC(C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210624 [0,1,0,0,0,0|1,0,0]=2 3067 B17R2.252072 CC(C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210760 [0,1,0,0,0,0|1,0,0]=2 3068 B17R2.252072 CC(C)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210760 [0,1,0,0,0,0|2,0,0]=3 3069 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000210624 [0,1,0,0,0,0|1,0,0]=2 3070 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000210760 [0,1,0,0,0,0|1,0,0]=2 3071 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210624 [0,1,0,0,0,0|1,0,0]=2 3072 B17R2.252072 CC(C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210760 [0,1,0,0,0,0|1,0,0]=2 3073 B17R2.252072 CC(C)CSc1ccc2[nH]ccc(=O)c2c1 62a_100000210624_100000746092 [0,1,0,0,0,0|1,1,0]=3 3074 B17R2.252072 CC(C)CSc1ccc2cccc(c2c1)N 62a_100000210624_100010090012 [0,1,0,0,0,0|0,1,0]=2 3075 B17R2.252072 CC(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000210760 [0,1,0,0,0,0|0,1,0]=2 3076 B17R2.252072 CC(C)CSc1ccc2cccc(c2c1)O 62a_100000210624_100010089991 [0,1,0,0,0,0|0,1,0]=2 3077 B17R2.252072 CC(C)CSc1ccc2cccc(c2n1)F 62a_100000210624_100012017632 [0,1,0,0,0,0|1,1,0]=3 3078 B17R2.252072 CC(C)CSc1ccc2cccc(c2n1)O 62a_100000210624_100000013812 [0,1,0,0,0,0|1,1,0]=3 3079 B17R2.252072 CC(C)CSc1ccc2ccnc(c2c1)N 62a_100000210624_100012352255 [0,1,0,0,0,0|1,1,0]=3 3080 B17R2.252072 CC(C)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210760 [0,1,0,0,0,0|1,1,0]=3 3081 B17R2.252072 CC(C)CSc1ccc2ccnc(c2c1)O 62a_100000210624_100000010956 [0,1,0,0,0,0|1,1,0]=3 3082 B17R2.252072 CC(C)CSc1ccc2cn[nH]c(=O)c2c1 62a_100000210624_100015864262 [0,1,0,0,0,0|2,1,0]=4 3083 B17R2.252072 CC(C)CSc1ccc2cncc(c2c1)O 62a_100000210624_100010136424 [0,1,0,0,0,0|1,1,0]=3 3084 B17R2.252072 CC(C)CSc1ccc2nc[nH]c(=O)c2c1 62a_100000210624_100000755678 [0,1,0,0,0,0|2,1,0]=4 3085 B17R2.252072 CC(C)CSc1ccc2nccc(=O)n2c1 62a_100000210624_100010178973 [0,1,0,0,0,0|2,1,0]=4 3086 B17R2.252072 CC(C)CSc1ccc2nccc(=O)n2c1 62a_100010178973_100000210760 [0,1,0,0,0,0|2,1,0]=4 3087 B17R2.252072 CC(C)CSc1ccc2nccc(c2c1)Cl 62a_100000210624_100011310491 [0,1,0,0,0,0|1,1,0]=3 3088 B17R2.252072 CC(C)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210760 [0,1,0,0,0,0|1,1,0]=3 3089 B17R2.252072 CC(C)CSc1ccc2nccc(c2c1)N 62a_100000210624_100011620571 [0,1,0,0,0,0|1,1,0]=3 3090 B17R2.252072 CC(C)CSc1ccc2nccc(c2c1)N 62a_100011620571_100000210760 [0,1,0,0,0,0|1,1,0]=3 3091 B17R2.252072 CC(C)CSc1ccc2ncnc(c2c1)Cl 62a_100000210624_100000757566 [0,1,0,0,0,0|2,1,0]=4 3092 B17R2.252072 CC(C)CSc1ccc2ncnc(c2c1)N 62a_100000210624_100011390335 [0,1,0,0,0,0|2,1,0]=4 3093 B17R2.252072 CC(C)CSc1ccc2ncnc(c2c1)N 62a_100011390335_100000210760 [0,1,0,0,0,0|2,1,0]=4 3094 B17R2.252072 CC(C)CSc1ccc2nncc(c2c1)O 62a_100000210624_100010074700 [0,1,0,0,0,0|2,1,0]=4 3095 B17R2.252072 CC(C)CSc1ccc2occc(=O)c2c1 62a_100000210624_100009813387 [0,1,0,0,0,0|1,1,0]=3 3096 B17R2.252072 CC(C)CSc1cnc2cc[nH]c(=O)c2c1 62a_100000210624_100010134370 [0,1,0,0,0,0|2,1,0]=4 3097 B17R2.252072 CC(C)CSc1cnc2cccc(c2c1)N 62a_100000210624_100010264086 [0,1,0,0,0,0|1,1,0]=3 3098 B17R2.252072 CC(C)CSc1cnc2cccc(c2c1)N 62a_100010264086_100000210760 [0,1,0,0,0,0|1,1,0]=3 3099 B17R2.252072 CC(C)CSc1cnc2cccc(c2c1)O 62a_100000210624_200010153752 [0,1,0,0,0,0|1,1,0]=3 3100 B17R2.252072 CC(C)CSc1ncc2cccc(c2n1)O 62a_100000210624_100010674811 [0,1,0,0,0,0|2,1,0]=4 3101 B17R2.252072 CC(C)NCc1ccc2cccc(c2n1)Cl 207a_100138425928_200000068262 [0,1,0,0,0,0|3,0,0]=4 3102 B17R2.252072 CC(C)NCc1ccc2cccc(c2n1)F 207a_100138425928_100000068176 [0,1,0,0,0,0|3,0,0]=4 3103 B17R2.252072 CC(C)NCc1ccc2ccnc(c2c1)Cl 207a_100138425928_100000094387 [0,1,0,0,0,0|3,0,0]=4 3104 B17R2.252072 CC(O)C=Cc1ccc2cccc(c2c1)N 271570a_200011019289_100010090012 [0,1,0,0,0,0|2,0,1]=4 3105 B17R2.252072 CC(O)C=Cc1ccc2cccc(c2c1)O 271570a_200011019289_100010089991 [0,1,0,0,0,0|2,0,1]=4 3106 B17R2.252072 CC(O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011218427 [0,1,0,0,0,0|2,0,0]=3 3107 B17R2.252072 CC(O)CNc1ccc2cccc(c2n1)O 27a_100000210904_100010153751 [0,1,0,0,0,0|3,0,0]=4 3108 B17R2.252072 CC(O)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100011218427 [0,1,0,0,0,0|3,0,0]=4 3109 B17R2.252072 CC(O)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011218427 [0,1,0,0,0,0|3,0,0]=4 3110 B17R2.252072 CC(O)CNc1ccc2occc(=O)c2c1 34a_100000088200_100011218427 [0,1,0,0,0,0|3,0,0]=4 3111 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011218427 [0,1,0,0,0,0|1,0,0]=2 3112 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011218427 [0,1,0,0,0,0|1,0,0]=2 3113 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100011218427 [0,1,0,0,0,0|1,0,0]=2 3114 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100011218427 [0,1,0,0,0,0|1,0,0]=2 3115 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100011218427 [0,1,0,0,0,0|1,0,0]=2 3116 B17R2.252072 CC(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100011218427 [0,1,0,0,0,0|1,0,0]=2 3117 B17R2.252072 CC(O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011218427 [0,1,0,0,0,0|2,0,0]=3 3118 B17R2.252072 CC(O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011218427 [0,1,0,0,0,0|2,0,0]=3 3119 B17R2.252072 CC(O)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100011218427 [0,1,0,0,0,0|3,0,0]=4 3120 B17R2.252072 CC(O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011218427 [0,1,0,0,0,0|2,0,0]=3 3121 B17R2.252072 CC(O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100011218427 [0,1,0,0,0,0|2,0,0]=3 3122 B17R2.252072 CC(O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011218427 [0,1,0,0,0,0|2,0,0]=3 3123 B17R2.252072 CC(O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100011218427 [0,1,0,0,0,0|2,0,0]=3 3124 B17R2.252072 CC(O)CSc1ccc2[nH]ccc(=O)c2c1 62a_100011218427_100000746092 [0,1,0,0,0,0|2,1,0]=4 3125 B17R2.252072 CC(O)CSc1ccc2cccc(c2c1)N 62a_100010090012_100011218427 [0,1,0,0,0,0|1,1,0]=3 3126 B17R2.252072 CC(O)CSc1ccc2cccc(c2c1)N 62a_100011218427_100010090012 [0,1,0,0,0,0|1,1,0]=3 3127 B17R2.252072 CC(O)CSc1ccc2cccc(c2c1)O 62a_100011218427_100010089991 [0,1,0,0,0,0|1,1,0]=3 3128 B17R2.252072 CC(O)CSc1ccc2cccc(c2n1)F 62a_100011218427_100012017632 [0,1,0,0,0,0|2,1,0]=4 3129 B17R2.252072 CC(O)CSc1ccc2cccc(c2n1)O 62a_100011218427_100000013812 [0,1,0,0,0,0|2,1,0]=4 3130 B17R2.252072 CC(O)CSc1ccc2ccnc(c2c1)N 62a_100011218427_100012352255 [0,1,0,0,0,0|2,1,0]=4 3131 B17R2.252072 CC(O)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100011218427 [0,1,0,0,0,0|2,1,0]=4 3132 B17R2.252072 CC(O)CSc1ccc2ccnc(c2c1)O 62a_100011218427_100000010956 [0,1,0,0,0,0|2,1,0]=4 3133 B17R2.252072 CC(O)CSc1ccc2cncc(c2c1)O 62a_100011218427_100010136424 [0,1,0,0,0,0|2,1,0]=4 3134 B17R2.252072 CC(O)CSc1ccc2nccc(c2c1)Cl 62a_100011218427_100011310491 [0,1,0,0,0,0|2,1,0]=4 3135 B17R2.252072 CC(O)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011218427 [0,1,0,0,0,0|2,1,0]=4 3136 B17R2.252072 CC(O)CSc1ccc2nccc(c2c1)N 62a_100011218427_100011620571 [0,1,0,0,0,0|2,1,0]=4 3137 B17R2.252072 CC(O)CSc1ccc2nccc(c2c1)N 62a_100011620571_100011218427 [0,1,0,0,0,0|2,1,0]=4 3138 B17R2.252072 CC(O)CSc1ccc2occc(=O)c2c1 62a_100011218427_100009813387 [0,1,0,0,0,0|2,1,0]=4 3139 B17R2.252072 CC(O)CSc1cnc2cccc(c2c1)N 62a_100010264086_100011218427 [0,1,0,0,0,0|2,1,0]=4 3140 B17R2.252072 CC(O)CSc1cnc2cccc(c2c1)N 62a_100011218427_100010264086 [0,1,0,0,0,0|2,1,0]=4 3141 B17R2.252072 CC(O)CSc1cnc2cccc(c2c1)O 62a_100011218427_200010153752 [0,1,0,0,0,0|2,1,0]=4 3142 B17R2.252072 C[C@@H](O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100009817552 [0,1,0,0,0,0|2,0,0]=3 3143 B17R2.252072 C[C@@H](O)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100009817552 [0,1,0,0,0,0|3,0,0]=4 3144 B17R2.252072 C[C@@H](O)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100009817552 [0,1,0,0,0,0|3,0,0]=4 3145 B17R2.252072 C[C@@H](O)CNc1ccc2occc(=O)c2c1 34a_100000088200_100009817552 [0,1,0,0,0,0|3,0,0]=4 3146 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100009817552 [0,1,0,0,0,0|1,0,0]=2 3147 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100009817552 [0,1,0,0,0,0|1,0,0]=2 3148 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)F 34a_100000091619_100009817552 [0,1,0,0,0,0|1,0,0]=2 3149 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)F 7a_100000091619_100009817552 [0,1,0,0,0,0|1,0,0]=2 3150 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)N 34a_100000034012_100009817552 [0,1,0,0,0,0|1,0,0]=2 3151 B17R2.252072 C[C@@H](O)COc1ccc2cccc(c2c1)N 7a_100000034012_100009817552 [0,1,0,0,0,0|1,0,0]=2 3152 B17R2.252072 C[C@@H](O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009817552 [0,1,0,0,0,0|2,0,0]=3 3153 B17R2.252072 C[C@@H](O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009817552 [0,1,0,0,0,0|2,0,0]=3 3154 B17R2.252072 C[C@@H](O)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100009817552 [0,1,0,0,0,0|3,0,0]=4 3155 B17R2.252072 C[C@@H](O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100009817552 [0,1,0,0,0,0|2,0,0]=3 3156 B17R2.252072 C[C@@H](O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100009817552 [0,1,0,0,0,0|2,0,0]=3 3157 B17R2.252072 C[C@@H](O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100009817552 [0,1,0,0,0,0|2,0,0]=3 3158 B17R2.252072 C[C@@H](O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100009817552 [0,1,0,0,0,0|2,0,0]=3 3159 B17R2.252072 C[C@@H](O)CSc1ccc2[nH]ccc(=O)c2c1 62a_100009817552_100000746092 [0,1,0,0,0,0|2,1,0]=4 3160 B17R2.252072 C[C@@H](O)CSc1ccc2cccc(c2c1)N 62a_100009817552_100010090012 [0,1,0,0,0,0|1,1,0]=3 3161 B17R2.252072 C[C@@H](O)CSc1ccc2cccc(c2c1)N 62a_100010090012_100009817552 [0,1,0,0,0,0|1,1,0]=3 3162 B17R2.252072 C[C@@H](O)CSc1ccc2cccc(c2c1)O 62a_100009817552_100010089991 [0,1,0,0,0,0|1,1,0]=3 3163 B17R2.252072 C[C@@H](O)CSc1ccc2cccc(c2n1)F 62a_100009817552_100012017632 [0,1,0,0,0,0|2,1,0]=4 3164 B17R2.252072 C[C@@H](O)CSc1ccc2cccc(c2n1)O 62a_100009817552_100000013812 [0,1,0,0,0,0|2,1,0]=4 3165 B17R2.252072 C[C@@H](O)CSc1ccc2ccnc(c2c1)N 62a_100009817552_100012352255 [0,1,0,0,0,0|2,1,0]=4 3166 B17R2.252072 C[C@@H](O)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100009817552 [0,1,0,0,0,0|2,1,0]=4 3167 B17R2.252072 C[C@@H](O)CSc1ccc2ccnc(c2c1)O 62a_100009817552_100000010956 [0,1,0,0,0,0|2,1,0]=4 3168 B17R2.252072 C[C@@H](O)CSc1ccc2cncc(c2c1)O 62a_100009817552_100010136424 [0,1,0,0,0,0|2,1,0]=4 3169 B17R2.252072 C[C@@H](O)CSc1ccc2nccc(c2c1)Cl 62a_100009817552_100011310491 [0,1,0,0,0,0|2,1,0]=4 3170 B17R2.252072 C[C@@H](O)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100009817552 [0,1,0,0,0,0|2,1,0]=4 3171 B17R2.252072 C[C@@H](O)CSc1ccc2nccc(c2c1)N 62a_100009817552_100011620571 [0,1,0,0,0,0|2,1,0]=4 3172 B17R2.252072 C[C@@H](O)CSc1ccc2nccc(c2c1)N 62a_100011620571_100009817552 [0,1,0,0,0,0|2,1,0]=4 3173 B17R2.252072 C[C@@H](O)CSc1ccc2occc(=O)c2c1 62a_100009817552_100009813387 [0,1,0,0,0,0|2,1,0]=4 3174 B17R2.252072 C[C@@H](O)CSc1cnc2cccc(c2c1)N 62a_100009817552_100010264086 [0,1,0,0,0,0|2,1,0]=4 3175 B17R2.252072 C[C@@H](O)CSc1cnc2cccc(c2c1)N 62a_100010264086_100009817552 [0,1,0,0,0,0|2,1,0]=4 3176 B17R2.252072 C[C@@H](O)CSc1cnc2cccc(c2c1)O 62a_100009817552_200010153752 [0,1,0,0,0,0|2,1,0]=4 3177 B17R2.252072 Cc1cccc2c1cc(cc2)C=CC(C)C 271570a_100016257149_100010089936 [0,1,0,0,0,0|1,0,1]=3 3178 B17R2.252072 Cc1cccc2c1cc(cc2)C=CC(C)O 271570a_200011019289_100010089936 [0,1,0,0,0,0|2,0,1]=4 3179 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(=O)N 34a_200000091600_100000187820 [0,1,0,0,0,0|2,0,1]=4 3180 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(=O)N 7a_200000091600_100000187820 [0,1,0,0,0,0|2,0,1]=4 3181 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(=O)[O-] 34a_200000091600_100020667443 [0,1,0,0,0,0|2,0,1]=4 3182 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)C 34a_200000091600_100000210624 [0,1,0,0,0,0|0,0,0]=1 3183 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)C 7a_200000091600_100000210760 [0,1,0,0,0,0|0,0,0]=1 3184 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)O 34a_200000091600_100011218427 [0,1,0,0,0,0|1,0,0]=2 3185 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(C)O 7a_200000091600_100011218427 [0,1,0,0,0,0|1,0,0]=2 3186 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(F)F 34a_200000091600_100011934356 [0,1,0,0,0,0|2,0,0]=3 3187 B17R2.252072 Cc1cccc2c1cc(cc2)OCC(F)F 7a_200000091600_100011934356 [0,1,0,0,0,0|2,0,0]=3 3188 B17R2.252072 Cc1cccc2c1cc(cc2)OC[C@@H](C)O 34a_200000091600_100009817552 [0,1,0,0,0,0|1,0,0]=2 3189 B17R2.252072 Cc1cccc2c1cc(cc2)OC[C@@H](C)O 7a_200000091600_100009817552 [0,1,0,0,0,0|1,0,0]=2 3190 B17R2.252072 Cc1cccc2c1cc(cc2)OC[N+](=O)[O-] 34a_200000091600_100000761209 [0,1,0,0,0,0|3,0,0]=4 3191 B17R2.252072 Cc1cccc2c1cc(cc2)SCC(C)C 62a_100000210624_100010089936 [0,1,0,0,0,0|0,1,0]=2 3192 B17R2.252072 Cc1cccc2c1cc(cc2)SCC(C)O 62a_100011218427_100010089936 [0,1,0,0,0,0|1,1,0]=3 3193 B17R2.252072 Cc1cccc2c1cc(cc2)SCC(F)F 62a_100011934356_100010089936 [0,1,0,0,0,0|2,1,0]=4 3194 B17R2.252072 Cc1cccc2c1cc(cc2)SC[C@@H](C)O 62a_100009817552_100010089936 [0,1,0,0,0,0|1,1,0]=3 3195 B17R2.252072 Cc1cccc2c1nc(cc2)C=CC(C)C 271570a_100016257149_100012002297 [0,1,0,0,0,0|2,0,1]=4 3196 B17R2.252072 Cc1cccc2c1nc(cc2)NCC(C)C 27a_100000210953_100012002297 [0,1,0,0,0,0|2,0,0]=3 3197 B17R2.252072 Cc1cccc2c1nc(cc2)NCC(C)O 27a_100000210904_100012002297 [0,1,0,0,0,0|3,0,0]=4 3198 B17R2.252072 Cc1cccc2c1nc(cc2)SCC(C)C 62a_100000210624_100012002297 [0,1,0,0,0,0|1,1,0]=3 3199 B17R2.252072 Cc1cccc2c1nc(cc2)SCC(C)O 62a_100011218427_100012002297 [0,1,0,0,0,0|2,1,0]=4 3200 B17R2.252072 Cc1cccc2c1nc(cc2)SC[C@@H](C)O 62a_100009817552_100012002297 [0,1,0,0,0,0|2,1,0]=4 3201 B17R2.252072 Cc1ccnc2c1cc(cc2)C=CC(C)C 271570a_100016257149_100009817033 [0,1,0,0,0,0|2,0,1]=4 3202 B17R2.252072 Cc1ccnc2c1cc(cc2)SCC(C)C 62a_100000210624_100009817033 [0,1,0,0,0,0|1,1,0]=3 3203 B17R2.252072 Cc1ccnc2c1cc(cc2)SCC(C)C 62a_100009817033_100000210760 [0,1,0,0,0,0|1,1,0]=3 3204 B17R2.252072 Cc1ccnc2c1cc(cc2)SCC(C)O 62a_100009817033_100011218427 [0,1,0,0,0,0|2,1,0]=4 3205 B17R2.252072 Cc1ccnc2c1cc(cc2)SCC(C)O 62a_100011218427_100009817033 [0,1,0,0,0,0|2,1,0]=4 3206 B17R2.252072 Cc1ccnc2c1cc(cc2)SC[C@@H](C)O 62a_100009817033_100009817552 [0,1,0,0,0,0|2,1,0]=4 3207 B17R2.252072 Cc1ccnc2c1cc(cc2)SC[C@@H](C)O 62a_100009817552_100009817033 [0,1,0,0,0,0|2,1,0]=4 3208 B17R2.252072 Cc1nccc2c1cc(cc2)C=CC(C)C 271570a_100016257149_200010739692 [0,1,0,0,0,0|2,0,1]=4 3209 B17R2.252072 Cc1nccc2c1cc(cc2)SCC(C)C 62a_100000210624_200010739692 [0,1,0,0,0,0|1,1,0]=3 3210 B17R2.252072 Cc1nccc2c1cc(cc2)SCC(C)C 62a_200010739692_100000210760 [0,1,0,0,0,0|1,1,0]=3 3211 B17R2.252072 Cc1nccc2c1cc(cc2)SCC(C)O 62a_100011218427_200010739692 [0,1,0,0,0,0|2,1,0]=4 3212 B17R2.252072 Cc1nccc2c1cc(cc2)SCC(C)O 62a_200010739692_100011218427 [0,1,0,0,0,0|2,1,0]=4 3213 B17R2.252072 Cc1nccc2c1cc(cc2)SC[C@@H](C)O 62a_100009817552_200010739692 [0,1,0,0,0,0|2,1,0]=4 3214 B17R2.252072 Cc1nccc2c1cc(cc2)SC[C@@H](C)O 62a_200010739692_100009817552 [0,1,0,0,0,0|2,1,0]=4 3215 B17R2.252072 Cc1ncnc2c1cc(cc2)NCC(C)C 27a_100000210953_100000700471 [0,1,0,0,0,0|3,0,0]=4 3216 B17R2.252072 Cc1ncnc2c1cc(cc2)SCC(C)C 62a_100000210624_100000700471 [0,1,0,0,0,0|2,1,0]=4 3217 B17R2.252072 Cc1ncnc2c1cc(cc2)SCC(C)C 62a_100000700471_100000210760 [0,1,0,0,0,0|2,1,0]=4 3218 B17R2.252072 FC(F)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011934356 [0,1,0,0,0,0|2,0,0]=3 3219 B17R2.252072 FC(F)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011934356 [0,1,0,0,0,0|2,0,0]=3 3220 B17R2.252072 FC(F)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011934356 [0,1,0,0,0,0|3,0,0]=4 3221 B17R2.252072 FC(F)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011934356 [0,1,0,0,0,0|3,0,0]=4 3222 B17R2.252072 FC(F)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011934356 [0,1,0,0,0,0|3,0,0]=4 3223 B17R2.252072 FC(F)COc1ccc2nccc(c2c1)Br 7a_100010204251_100011934356 [0,1,0,0,0,0|3,0,0]=4 3224 B17R2.252072 FC(F)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011934356 [0,1,0,0,0,0|3,0,0]=4 3225 B17R2.252072 FC(F)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100011934356 [0,1,0,0,0,0|3,0,0]=4 3226 B17R2.252072 Fc1cccc2c1cc(cc2)OCC(F)F 34a_100000091619_100011934356 [0,1,0,0,0,0|2,0,0]=3 3227 B17R2.252072 Fc1cccc2c1cc(cc2)OCC(F)F 7a_100000091619_100011934356 [0,1,0,0,0,0|2,0,0]=3 3228 B17R2.252072 NC(=O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000187820 [0,1,0,0,0,0|2,0,1]=4 3229 B17R2.252072 NC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000187820 [0,1,0,0,0,0|2,0,1]=4 3230 B17R2.252072 NC(=O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000187820 [0,1,0,0,0,0|2,0,1]=4 3231 B17R2.252072 NC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000187820 [0,1,0,0,0,0|2,0,1]=4 3232 B17R2.252072 NC(=O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000187820 [0,1,0,0,0,0|2,0,1]=4 3233 B17R2.252072 NC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000187820 [0,1,0,0,0,0|2,0,1]=4 3234 B17R2.252072 Nc1cccc2c1cc(cc2)OCC(=O)[O-] 34a_100000034012_100020667443 [0,1,0,0,0,0|2,0,1]=4 3235 B17R2.252072 Nc1cccc2c1cc(cc2)OCC(F)F 34a_100000034012_100011934356 [0,1,0,0,0,0|2,0,0]=3 3236 B17R2.252072 Nc1cccc2c1cc(cc2)OCC(F)F 7a_100000034012_100011934356 [0,1,0,0,0,0|2,0,0]=3 3237 B17R2.252072 Nc1cccc2c1cc(cc2)OC[N+](=O)[O-] 34a_100000034012_100000761209 [0,1,0,0,0,0|3,0,0]=4 3238 B17R2.252072 Nc1cccc2c1cc(cc2)SCC(F)F 62a_100010090012_100011934356 [0,1,0,0,0,0|2,1,0]=4 3239 B17R2.252072 Nc1cccc2c1cc(cc2)SCC(F)F 62a_100011934356_100010090012 [0,1,0,0,0,0|2,1,0]=4 3240 B17R2.252072 O=C([O-])COc1ccc2cccc(c2c1)Br 34a_100010169565_100020667443 [0,1,0,0,0,0|2,0,1]=4 3241 B17R2.252072 O=C([O-])COc1ccc2cccc(c2c1)F 34a_100000091619_100020667443 [0,1,0,0,0,0|2,0,1]=4 3242 B17R2.252072 O=[N+]([O-])COc1ccc2cccc(c2c1)Br 34a_100010169565_100000761209 [0,1,0,0,0,0|3,0,0]=4 3243 B17R2.252072 O=[N+]([O-])COc1ccc2cccc(c2c1)F 34a_100000091619_100000761209 [0,1,0,0,0,0|3,0,0]=4 3244 B17R2.252072 Oc1cccc2c1cc(cc2)NCC(F)F 34a_100132313934_100011934356 [0,1,0,0,0,0|3,0,0]=4 3245 B17R2.252072 Oc1cccc2c1cc(cc2)SCC(F)F 62a_100011934356_100010089991 [0,1,0,0,0,0|2,1,0]=4 3246 B15R1.56 C=CCNc1ccc(cc1)OCC(C)C 27a_100020586998_200000169949 [0,0,1,0,0,0|1,0,1]=3 3247 B15R1.56 C=CCNc1ccc(cc1)OCC(C)C 34a_200000243789_100015514636 [0,0,1,0,0,0|1,0,1]=3 3248 B15R1.56 C=CCOc1ccc(cc1)SCC(C)C 62a_100000172055_100000210760 [0,0,1,0,0,0|1,1,1]=4 3249 B15R1.56 C=CCOc1ccc(cc1)SCC(C)C 62a_100000210624_100000172055 [0,0,1,0,0,0|1,1,1]=4 3250 B15R1.56 C=CCSc1ccc(cc1)NCC(C)C 62a_100000210623_200011231703 [0,0,1,0,0,0|2,0,1]=4 3251 B15R1.56 C=CCSc1ccc(cc1)NCC(C)C 62a_200011231703_100000210623 [0,0,1,0,0,0|2,0,1]=4 3252 B15R1.56 C=CCSc1ccc(cc1)OCC(C)C 62a_100000210623_200000169949 [0,0,1,0,0,0|1,0,1]=3 3253 B15R1.56 C=CCSc1ccc(cc1)OCC(C)C 62a_200000169949_100000210623 [0,0,1,0,0,0|1,0,1]=3 3254 B15R1.56 CC(C)COc1ccc(cc1)NCC=O 34a_200000243789_200009817547 [0,0,1,0,0,0|2,0,1]=4 3255 B15R1.56 CC(C)COc1ccc(cc1)SCC=O 62a_200000169949_200015260668 [0,0,1,0,0,0|2,0,1]=4 3256 B15R1.56 CC(C)COc1ccc(cc1)SCC=O 62a_200015260668_200000169949 [0,0,1,0,0,0|2,0,1]=4 3257 B15R1.56 CC(C)CSc1ccc(cc1)/C=C/C=O 62a_100000210624_100016291818 [0,0,1,0,0,0|1,1,0]=3 3258 B15R1.56 CC(C)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210760 [0,0,1,0,0,0|1,1,0]=3 3259 B15R1.56 CC(O)CSc1ccc(cc1)/C=C/C=O 62a_100011218427_100016291818 [0,0,1,0,0,0|2,1,0]=4 3260 B15R1.56 CC(O)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011218427 [0,0,1,0,0,0|2,1,0]=4 3261 B15R1.56 COC=Cc1ccc(cc1)SCC(C)C 62a_100000210624_100020630460 [0,0,1,0,0,0|1,1,1]=4 3262 B15R1.56 COC=Cc1ccc(cc1)SCC(C)C 62a_100020630460_100000210760 [0,0,1,0,0,0|1,1,1]=4 3263 B15R1.56 C[C@@H](O)CSc1ccc(cc1)/C=C/C=O 62a_100009817552_100016291818 [0,0,1,0,0,0|2,1,0]=4 3264 B15R1.56 C[C@@H](O)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100009817552 [0,0,1,0,0,0|2,1,0]=4 3265 B15R1.84 C=Cc1ccccc1C=NNCC(C)O 4a_200000730056_200011996377 [0,0,1,0,0,0|3,0,0]=4 3266 B15R1.84 C=Cc1ccccc1COCCC(C)C 34a_200010883148_100000210312 [0,0,1,0,0,0|2,0,1]=4 3267 B15R1.84 C=Cc1ccccc1COCCC(C)C 7a_200010883148_100000210626 [0,0,1,0,0,0|2,0,1]=4 3268 B15R1.84 C=Cc1ccccc1NCCCC(C)C 34a_100012022501_100011214892 [0,0,1,0,0,0|2,0,1]=4 3269 B15R1.84 C=Cc1ccccc1SCCCC(C)C 62a_100011214892_100011218376 [0,0,1,0,0,0|2,0,1]=4 3270 B15R1.84 C=Cc1ccccc1SCCCC(C)C 62a_100011218376_100011214892 [0,0,1,0,0,0|2,0,1]=4 3271 B15R1.84 CC(C)COCCc1ccccc1C=O 34a_100000210257_100010186698 [0,0,1,0,0,0|1,0,2]=4 3272 B15R1.131 CC(C)CNCC=Cc1ccccc1Br 270004a_100000210953_200016268969 [0,0,1,0,0,0|2,0,1]=4 3273 B15R1.131 CC(C)CNCC=Cc1ccccc1Cl 270004a_100000210953_200102525841 [0,0,1,0,0,0|2,0,1]=4 3274 B15R1.131 CC(C)CNCC=Cc1ccccc1F 270004a_100000210953_200102525844 [0,0,1,0,0,0|2,0,1]=4 3275 B15R1.131 CC(C)NN=CC=Cc1ccccc1Br 4a_100000741168_200016268969 [0,0,1,0,0,0|3,0,0]=4 3276 B15R1.131 CC(C)NN=CC=Cc1ccccc1Cl 4a_100000741168_200102525841 [0,0,1,0,0,0|3,0,0]=4 3277 B15R1.131 CC(C)NN=CC=Cc1ccccc1F 4a_100000741168_200102525844 [0,0,1,0,0,0|3,0,0]=4 3278 B15R1.1036 C=CCNc1cccc(c1)OCC(C)C 27a_100020586998_200000170005 [0,0,1,0,0,0|1,0,1]=3 3279 B15R1.1036 C=CCSc1cccc(c1)OCC(C)C 62a_100000210623_200000170005 [0,0,1,0,0,0|1,0,1]=3 3280 B15R1.1036 C=CCSc1cccc(c1)OCC(C)C 62a_200000170005_100000210623 [0,0,1,0,0,0|1,0,1]=3 3281 B15R1.1036 CC(C)COc1cccc(c1)SCC=O 62a_200000170005_200015260668 [0,0,1,0,0,0|2,0,1]=4 3282 B15R1.1036 CC(C)COc1cccc(c1)SCC=O 62a_200015260668_200000170005 [0,0,1,0,0,0|2,0,1]=4 3283 B15R1.5919 CC(=NNC(C)C)C=Cc1ccccc1 4a_100000741168_100000204604 [0,0,1,0,0,0|2,0,1]=4 3284 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,0,1,0,0,0|2,0,0]=3 3285 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210312 [0,0,1,0,0,0|3,0,0]=4 3286 B15R1.5919 CC(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210312 [0,0,1,0,0,0|3,0,0]=4 3287 B15R1.5919 CC(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210312 [0,0,1,0,0,0|3,0,0]=4 3288 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [0,0,1,0,0,0|2,0,0]=3 3289 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [0,0,1,0,0,0|2,0,0]=3 3290 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 11a_100000210953_100000740811 [0,0,1,0,0,0|3,0,0]=4 3291 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 240690a_100000210953_100000740811 [0,0,1,0,0,0|3,0,0]=4 3292 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 11a_100000210953_100000735890 [0,0,1,0,0,0|3,0,0]=4 3293 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 240690a_100000210953_100000735890 [0,0,1,0,0,0|3,0,0]=4 3294 B15R1.5919 CC(C)CNC(=O)C=Cc1ccncc1 240690a_100000210953_100000682801 [0,0,1,0,0,0|3,0,0]=4 3295 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccc1 22a_100000741168_100000210462 [0,0,1,0,0,0|3,0,0]=4 3296 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [0,0,1,0,0,0|3,0,0]=4 3297 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [0,0,1,0,0,0|3,0,0]=4 3298 B15R1.9550 C=C=Cc1ccc(cc1Br)OCC(C)C 271570a_100015277604_201991077984 [0,0,1,0,0,0|1,0,1]=3 3299 B15R1.9550 CC=Cc1ccc(cc1Br)OCC(C)C 271570a_100016259895_201991077984 [0,0,1,0,0,0|1,0,1]=3 3300 B15R1.12854 CC(C)CSc1ccc(c(c1)C=O)C=O 62a_200010077131_100000210760 [0,0,1,0,0,0|2,1,0]=4 3301 B17R3.2995 F[C@@H]1C[C@H]1Nc2ccc3ccccc3n2 27a_100025746932_100011291633 [0,0,0,1,0,0|3,0,0]=4 3302 B17R3.2995 F[C@H]1C[C@H]1Nc2ccc3ccccc3n2 27a_100015190264_100011291633 [0,0,0,1,0,0|3,0,0]=4 3303 B17R3.5220 CC1CN(C1)c2ccc3ccccc3n2 27a_100000702820_100011291633 [0,0,0,1,0,0|2,0,0]=3 3304 B17R3.5220 CC1CN(C1)c2ccc3cccnc3n2 27a_100000702820_100000075685 [0,0,0,1,0,0|3,0,0]=4 3305 B17R3.5220 CC1CN(C1)c2ccc3ccncc3n2 27a_100000702820_100000020162 [0,0,0,1,0,0|3,0,0]=4 3306 B17R3.5220 CC1CN(C1)c2ccc3cncnc3c2 27a_100000702820_100010185614 [0,0,0,1,0,0|3,0,0]=4 3307 B17R3.5220 CC1CN(C1)c2ccc3ncccc3n2 27a_100000702820_100000073381 [0,0,0,1,0,0|3,0,0]=4 3308 B17R3.5220 CC1CN(C1)c2ccc3nccnc3c2 27a_100000702820_100011219451 [0,0,0,1,0,0|3,0,0]=4 3309 B17R3.5220 CC1CN(C1)c2cnc3ccccc3n2 27a_100000702820_100000756483 [0,0,0,1,0,0|3,0,0]=4 3310 B17R3.5220 CC1CN(C1)c2ncc3ccccc3n2 27a_100000702820_100000097389 [0,0,0,1,0,0|3,0,0]=4 3311 B17R3.5220 CN1CC(C1)c2ccc3ccccc3n2 269982a_106256037337_200000210301 [0,0,0,1,0,0|3,0,0]=4 3312 B17R3.5220 FC1CN(C1)c2ccc3ccccc3n2 27a_100000690557_100011291633 [0,0,0,1,0,0|3,0,0]=4 3313 B17R3.5220 OC1CN(C1)c2ccc3ccccc3n2 27a_100000749847_100011291633 [0,0,0,1,0,0|3,0,0]=4 3314 B17R3.5220 [13CH3]N1CC(C1)c2ccc3ccccc3n2 269982a_106256037337_200025704644 [0,0,0,1,0,0|3,0,0]=4 3315 B17R3.648661 C(#CC1CC1)c2cc3ccccc3cn2 271570a_200009880635_100000047361 [0,0,0,1,0,0|2,0,1]=4 3316 B17R3.648661 C(#CC1CC1)c2ccc3ccccc3c2 271570a_200009880635_100000233703 [0,0,0,1,0,0|1,0,1]=3 3317 B17R3.648661 C(#CC1CC1)c2ccc3ccccc3n2 271570a_200009880635_100011291633 [0,0,0,1,0,0|2,0,1]=4 3318 B17R3.648661 C(#CC1CC1)c2ccc3cccnc3c2 271570a_200009880635_100009816655 [0,0,0,1,0,0|2,0,1]=4 3319 B17R3.648661 C(#CC1CC1)c2ccc3ccncc3c2 271570a_200009880635_100000686496 [0,0,0,1,0,0|2,0,1]=4 3320 B17R3.648661 C(#CC1CC1)c2ccc3cnccc3c2 271570a_200009880635_100009816743 [0,0,0,1,0,0|2,0,1]=4 3321 B17R3.648661 C(#CC1CC1)c2ccc3ncccc3c2 271570a_200009880635_100000754243 [0,0,0,1,0,0|2,0,1]=4 3322 B17R3.648661 C(#CC1CC1)c2cnc3ccccc3c2 271570a_200009880635_100000737414 [0,0,0,1,0,0|2,0,1]=4 3323 B17R3.648661 C(=CC1CC1)c2cc3ccccc3cn2 271570a_100102526188_100000047361 [0,0,0,1,0,0|2,0,1]=4 3324 B17R3.648661 C(=CC1CC1)c2ccc3ccccc3c2 271570a_100102526188_100000233703 [0,0,0,1,0,0|1,0,1]=3 3325 B17R3.648661 C(=CC1CC1)c2ccc3ccccc3n2 271570a_100102526188_100011291633 [0,0,0,1,0,0|2,0,1]=4 3326 B17R3.648661 C(=CC1CC1)c2ccc3cccnc3c2 271570a_100102526188_100009816655 [0,0,0,1,0,0|2,0,1]=4 3327 B17R3.648661 C(=CC1CC1)c2ccc3ccncc3c2 271570a_100102526188_100000686496 [0,0,0,1,0,0|2,0,1]=4 3328 B17R3.648661 C(=CC1CC1)c2ccc3cnccc3c2 271570a_100102526188_100009816743 [0,0,0,1,0,0|2,0,1]=4 3329 B17R3.648661 C(=CC1CC1)c2ccc3ncccc3c2 271570a_100102526188_100000754243 [0,0,0,1,0,0|2,0,1]=4 3330 B17R3.648661 C(=CC1CC1)c2cnc3ccccc3c2 271570a_100102526188_100000737414 [0,0,0,1,0,0|2,0,1]=4 3331 B17R3.648661 c1cc2cc(ccc2cn1)CNC3CC3 34a_100000212008_100020605334 [0,0,0,1,0,0|3,0,0]=4 3332 B17R3.648661 c1cc2cc(ccc2cn1)CSC3CC3 62a_100020605334_100000211595 [0,0,0,1,0,0|3,0,0]=4 3333 B17R3.648661 c1cc2cc(ccc2cn1)NCC3CC3 34a_100000039641_100000742324 [0,0,0,1,0,0|2,0,0]=3 3334 B17R3.648661 c1cc2cc(ccc2cn1)NCC3CO3 34a_100000039641_102125554688 [0,0,0,1,0,0|3,0,0]=4 3335 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 34a_100000046372_100000742324 [0,0,0,1,0,0|1,0,0]=2 3336 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 7a_100000046372_100000742324 [0,0,0,1,0,0|1,0,0]=2 3337 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CO3 34a_100000046372_102125554688 [0,0,0,1,0,0|2,0,0]=3 3338 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CO3 7a_100000046372_102125554688 [0,0,0,1,0,0|2,0,0]=3 3339 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CS3 7a_100000046372_100000031435 [0,0,0,1,0,0|2,0,0]=3 3340 B17R3.648661 c1cc2cc(ccc2cn1)OC[C@@H]3CO3 7a_100000046372_100000745022 [0,0,0,1,0,0|2,0,0]=3 3341 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100009816743 [0,0,0,1,0,0|1,1,0]=3 3342 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CC3 62a_100009816743_100000742324 [0,0,0,1,0,0|1,1,0]=3 3343 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CO3 62a_100009816743_102125554688 [0,0,0,1,0,0|2,1,0]=4 3344 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CO3 62a_102125554688_100009816743 [0,0,0,1,0,0|2,1,0]=4 3345 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CS3 62a_100000031435_100009816743 [0,0,0,1,0,0|2,1,0]=4 3346 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CS3 62a_100009816743_100000031435 [0,0,0,1,0,0|2,1,0]=4 3347 B17R3.648661 c1cc2cc(ccc2cn1)SC[C@@H]3CO3 62a_100000745022_100009816743 [0,0,0,1,0,0|2,1,0]=4 3348 B17R3.648661 c1cc2cc(ccc2cn1)SC[C@@H]3CO3 62a_100009816743_100000745022 [0,0,0,1,0,0|2,1,0]=4 3349 B17R3.648661 c1cc2cc(ccc2nn1)SCC3CC3 62a_100000756562_100010209549 [0,0,0,1,0,0|2,1,0]=4 3350 B17R3.648661 c1cc2cc(ccc2nn1)SCC3CC3 62a_100010209549_100000742324 [0,0,0,1,0,0|2,1,0]=4 3351 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CC3 7a_100000752006_100000742324 [0,0,0,1,0,0|1,0,0]=2 3352 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CO3 7a_100000752006_102125554688 [0,0,0,1,0,0|2,0,0]=3 3353 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CS3 7a_100000752006_100000031435 [0,0,0,1,0,0|2,0,0]=3 3354 B17R3.648661 c1cc2ccc(cc2cn1)OC[C@@H]3CO3 7a_100000752006_100000745022 [0,0,0,1,0,0|2,0,0]=3 3355 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CC3 62a_100000686496_100000742324 [0,0,0,1,0,0|1,1,0]=3 3356 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CC3 62a_100000756562_100000686496 [0,0,0,1,0,0|1,1,0]=3 3357 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CO3 62a_100000686496_102125554688 [0,0,0,1,0,0|2,1,0]=4 3358 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CO3 62a_102125554688_100000686496 [0,0,0,1,0,0|2,1,0]=4 3359 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CS3 62a_100000031435_100000686496 [0,0,0,1,0,0|2,1,0]=4 3360 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CS3 62a_100000686496_100000031435 [0,0,0,1,0,0|2,1,0]=4 3361 B17R3.648661 c1cc2ccc(cc2cn1)SC[C@@H]3CO3 62a_100000686496_100000745022 [0,0,0,1,0,0|2,1,0]=4 3362 B17R3.648661 c1cc2ccc(cc2cn1)SC[C@@H]3CO3 62a_100000745022_100000686496 [0,0,0,1,0,0|2,1,0]=4 3363 B17R3.648661 c1cc2ccc(nc2cn1)NCC3CC3 27a_100000735609_100000020162 [0,0,0,1,0,0|3,0,0]=4 3364 B17R3.648661 c1cc2ccc(nc2cn1)SCC3CC3 62a_100000756562_100000020162 [0,0,0,1,0,0|2,1,0]=4 3365 B17R3.648661 c1cc2cnncc2cc1SCC3CC3 62a_100000756562_100010198781 [0,0,0,1,0,0|2,1,0]=4 3366 B17R3.648661 c1cc2cnncc2cc1SCC3CC3 62a_100010198781_100000742324 [0,0,0,1,0,0|2,1,0]=4 3367 B17R3.648661 c1ccc2cc(ccc2c1)CNC3CC3 34a_100000212008_100011216711 [0,0,0,1,0,0|2,0,0]=3 3368 B17R3.648661 c1ccc2cc(ccc2c1)CNC3CC3 34a_100000739491_100000211595 [0,0,0,1,0,0|2,0,0]=3 3369 B17R3.648661 c1ccc2cc(ccc2c1)COC3CC3 34a_100011215330_100000211595 [0,0,0,1,0,0|2,0,0]=3 3370 B17R3.648661 c1ccc2cc(ccc2c1)CSC3CC3 62a_100011216711_100000211595 [0,0,0,1,0,0|2,0,0]=3 3371 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 34a_100000211940_100000742324 [0,0,0,1,0,0|1,0,0]=2 3372 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 7a_100000211940_100000742324 [0,0,0,1,0,0|1,0,0]=2 3373 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CO3 34a_100000211940_102125554688 [0,0,0,1,0,0|2,0,0]=3 3374 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CO3 7a_100000211940_102125554688 [0,0,0,1,0,0|2,0,0]=3 3375 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CS3 7a_100000211940_100000031435 [0,0,0,1,0,0|2,0,0]=3 3376 B17R3.648661 c1ccc2cc(ccc2c1)NC[C@@H]3CO3 7a_100000211940_100000745022 [0,0,0,1,0,0|2,0,0]=3 3377 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 34a_100000185828_100000742324 [0,0,0,1,0,0|0,0,0]=1 3378 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 7a_100000185828_100000742324 [0,0,0,1,0,0|0,0,0]=1 3379 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 34a_100000185828_102125554688 [0,0,0,1,0,0|1,0,0]=2 3380 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 7a_100000185828_102125554688 [0,0,0,1,0,0|1,0,0]=2 3381 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CS3 7a_100000185828_100000031435 [0,0,0,1,0,0|1,0,0]=2 3382 B17R3.648661 c1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000185828_100000745022 [0,0,0,1,0,0|1,0,0]=2 3383 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000233703 [0,0,0,1,0,0|0,1,0]=2 3384 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100000233703 [0,0,0,1,0,0|1,1,0]=3 3385 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100000233703 [0,0,0,1,0,0|1,1,0]=3 3386 B17R3.648661 c1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100000233703 [0,0,0,1,0,0|1,1,0]=3 3387 B17R3.648661 c1ccc2cc(ncc2c1)CNC3CC3 34a_100000212008_100009869231 [0,0,0,1,0,0|3,0,0]=4 3388 B17R3.648661 c1ccc2cc(ncc2c1)CSC3CC3 62a_100009869231_100000211595 [0,0,0,1,0,0|3,0,0]=4 3389 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CC3 62a_100000756562_100000047361 [0,0,0,1,0,0|1,1,0]=3 3390 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CC3 62a_100009816522_100000742324 [0,0,0,1,0,0|1,1,0]=3 3391 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CO3 62a_100009816522_102125554688 [0,0,0,1,0,0|2,1,0]=4 3392 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CO3 62a_102125554688_100000047361 [0,0,0,1,0,0|2,1,0]=4 3393 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CS3 62a_100000031435_100000047361 [0,0,0,1,0,0|2,1,0]=4 3394 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CS3 62a_100009816522_100000031435 [0,0,0,1,0,0|2,1,0]=4 3395 B17R3.648661 c1ccc2cc(ncc2c1)SC[C@@H]3CO3 62a_100000745022_100000047361 [0,0,0,1,0,0|2,1,0]=4 3396 B17R3.648661 c1ccc2cc(ncc2c1)SC[C@@H]3CO3 62a_100009816522_100000745022 [0,0,0,1,0,0|2,1,0]=4 3397 B17R3.648661 c1ccc2nc(ccc2c1)CNC3CC3 34a_100000212008_100000737579 [0,0,0,1,0,0|3,0,0]=4 3398 B17R3.648661 c1ccc2nc(ccc2c1)CSC3CC3 62a_100000737579_100000211595 [0,0,0,1,0,0|3,0,0]=4 3399 B17R3.648661 c1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011291633 [0,0,0,1,0,0|2,0,0]=3 3400 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011291633 [0,0,0,1,0,0|1,1,0]=3 3401 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100011291633_100000742324 [0,0,0,1,0,0|1,1,0]=3 3402 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CO3 62a_100011291633_102125554688 [0,0,0,1,0,0|2,1,0]=4 3403 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CO3 62a_102125554688_100011291633 [0,0,0,1,0,0|2,1,0]=4 3404 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CS3 62a_100000031435_100011291633 [0,0,0,1,0,0|2,1,0]=4 3405 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CS3 62a_100011291633_100000031435 [0,0,0,1,0,0|2,1,0]=4 3406 B17R3.648661 c1ccc2nc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100011291633 [0,0,0,1,0,0|2,1,0]=4 3407 B17R3.648661 c1ccc2nc(ccc2c1)SC[C@@H]3CO3 62a_100011291633_100000745022 [0,0,0,1,0,0|2,1,0]=4 3408 B17R3.648661 c1ccc2nc(cnc2c1)NCC3CC3 27a_100000735609_100000756483 [0,0,0,1,0,0|3,0,0]=4 3409 B17R3.648661 c1ccc2nc(cnc2c1)SCC3CC3 62a_100000756483_100000742324 [0,0,0,1,0,0|2,1,0]=4 3410 B17R3.648661 c1ccc2nc(cnc2c1)SCC3CC3 62a_100000756562_100000756483 [0,0,0,1,0,0|2,1,0]=4 3411 B17R3.648661 c1ccc2nc(ncc2c1)NCC3CC3 27a_100000735609_100000097389 [0,0,0,1,0,0|3,0,0]=4 3412 B17R3.648661 c1ccc2nc(ncc2c1)SCC3CC3 62a_100000756562_100000097389 [0,0,0,1,0,0|2,1,0]=4 3413 B17R3.648661 c1ccc2ncc(cc2c1)CNC3CC3 34a_100000742225_100000211595 [0,0,0,1,0,0|3,0,0]=4 3414 B17R3.648661 c1ccc2ncc(cc2c1)COC3CC3 34a_100011258773_100000211595 [0,0,0,1,0,0|3,0,0]=4 3415 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 34a_100011934006_100000742324 [0,0,0,1,0,0|1,0,0]=2 3416 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 7a_100011934006_100000742324 [0,0,0,1,0,0|1,0,0]=2 3417 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CO3 34a_100011934006_102125554688 [0,0,0,1,0,0|2,0,0]=3 3418 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CO3 7a_100011934006_102125554688 [0,0,0,1,0,0|2,0,0]=3 3419 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CS3 7a_100011934006_100000031435 [0,0,0,1,0,0|2,0,0]=3 3420 B17R3.648661 c1ccc2ncc(cc2c1)OC[C@@H]3CO3 7a_100011934006_100000745022 [0,0,0,1,0,0|2,0,0]=3 3421 B17R3.648661 c1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100000737414 [0,0,0,1,0,0|1,1,0]=3 3422 B17R3.648661 c1ccc2ncc(cc2c1)SCC3CO3 62a_102125554688_100000737414 [0,0,0,1,0,0|2,1,0]=4 3423 B17R3.648661 c1ccc2ncc(cc2c1)SCC3CS3 62a_100000031435_100000737414 [0,0,0,1,0,0|2,1,0]=4 3424 B17R3.648661 c1ccc2ncc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100000737414 [0,0,0,1,0,0|2,1,0]=4 3425 B17R3.648661 c1cnc2cc(ccc2c1)NCC3CC3 34a_100102887122_100000742324 [0,0,0,1,0,0|2,0,0]=3 3426 B17R3.648661 c1cnc2cc(ccc2c1)NCC3CO3 34a_100102887122_102125554688 [0,0,0,1,0,0|3,0,0]=4 3427 B17R3.648661 c1cnc2cc(ccc2c1)OCC3CC3 34a_100011216045_100000742324 [0,0,0,1,0,0|1,0,0]=2 3428 B17R3.648661 c1cnc2cc(ccc2c1)OCC3CO3 34a_100011216045_102125554688 [0,0,0,1,0,0|2,0,0]=3 3429 B17R3.648661 c1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100009816655 [0,0,0,1,0,0|1,1,0]=3 3430 B17R3.648661 c1cnc2cc(ccc2c1)SCC3CO3 62a_102125554688_100009816655 [0,0,0,1,0,0|2,1,0]=4 3431 B17R3.648661 c1cnc2cc(ccc2c1)SCC3CS3 62a_100000031435_100009816655 [0,0,0,1,0,0|2,1,0]=4 3432 B17R3.648661 c1cnc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100009816655 [0,0,0,1,0,0|2,1,0]=4 3433 B17R3.648661 c1cnc2cc(ccc2n1)NCC3CC3 27a_100000735609_100011219451 [0,0,0,1,0,0|3,0,0]=4 3434 B17R3.648661 c1cnc2cc(ccc2n1)NCC3CC3 34a_100011219565_100000742324 [0,0,0,1,0,0|3,0,0]=4 3435 B17R3.648661 c1cnc2cc(ccc2n1)OCC3CC3 34a_100000694412_100000742324 [0,0,0,1,0,0|2,0,0]=3 3436 B17R3.648661 c1cnc2cc(ccc2n1)OCC3CO3 34a_100000694412_102125554688 [0,0,0,1,0,0|3,0,0]=4 3437 B17R3.648661 c1cnc2cc(ccc2n1)SCC3CC3 62a_100000756562_100011219451 [0,0,0,1,0,0|2,1,0]=4 3438 B17R3.648661 c1cnc2cc(ccc2n1)SCC3CC3 62a_100011219451_100000742324 [0,0,0,1,0,0|2,1,0]=4 3439 B17R3.648661 c1cnc2cc(cnc2c1)SCC3CC3 62a_100000756562_100010246316 [0,0,0,1,0,0|2,1,0]=4 3440 B17R3.648661 c1cnc2cc(cnc2c1)SCC3CC3 62a_100010246316_100000742324 [0,0,0,1,0,0|2,1,0]=4 3441 B17R3.648661 c1cnc2ccc(cc2c1)CNC3CC3 34a_100000212008_100000703657 [0,0,0,1,0,0|3,0,0]=4 3442 B17R3.648661 c1cnc2ccc(cc2c1)CNC3CC3 34a_100000238500_100000211595 [0,0,0,1,0,0|3,0,0]=4 3443 B17R3.648661 c1cnc2ccc(cc2c1)COC3CC3 34a_100011315636_100000211595 [0,0,0,1,0,0|3,0,0]=4 3444 B17R3.648661 c1cnc2ccc(cc2c1)CSC3CC3 62a_100000703657_100000211595 [0,0,0,1,0,0|3,0,0]=4 3445 B17R3.648661 c1cnc2ccc(cc2c1)NCC3CC3 34a_100011198106_100000742324 [0,0,0,1,0,0|2,0,0]=3 3446 B17R3.648661 c1cnc2ccc(cc2c1)NCC3CO3 34a_100011198106_102125554688 [0,0,0,1,0,0|3,0,0]=4 3447 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 34a_100011215586_100000742324 [0,0,0,1,0,0|1,0,0]=2 3448 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 7a_100011215586_100000742324 [0,0,0,1,0,0|1,0,0]=2 3449 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CO3 34a_100011215586_102125554688 [0,0,0,1,0,0|2,0,0]=3 3450 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CO3 7a_100011215586_102125554688 [0,0,0,1,0,0|2,0,0]=3 3451 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CS3 7a_100011215586_100000031435 [0,0,0,1,0,0|2,0,0]=3 3452 B17R3.648661 c1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100011215586_100000745022 [0,0,0,1,0,0|2,0,0]=3 3453 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_100011215947 [0,0,0,1,0,0|1,1,0]=3 3454 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CC3 62a_100011215947_100000742324 [0,0,0,1,0,0|1,1,0]=3 3455 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CO3 62a_100011215947_102125554688 [0,0,0,1,0,0|2,1,0]=4 3456 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CO3 62a_102125554688_100011215947 [0,0,0,1,0,0|2,1,0]=4 3457 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CS3 62a_100000031435_100011215947 [0,0,0,1,0,0|2,1,0]=4 3458 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CS3 62a_100011215947_100000031435 [0,0,0,1,0,0|2,1,0]=4 3459 B17R3.648661 c1cnc2ccc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100011215947 [0,0,0,1,0,0|2,1,0]=4 3460 B17R3.648661 c1cnc2ccc(cc2c1)SC[C@@H]3CO3 62a_100011215947_100000745022 [0,0,0,1,0,0|2,1,0]=4 3461 B17R3.648661 c1cnc2ccc(nc2c1)NCC3CC3 27a_100000735609_100000073381 [0,0,0,1,0,0|3,0,0]=4 3462 B17R3.648661 c1cnc2ccc(nc2c1)SCC3CC3 62a_100000756562_100000073381 [0,0,0,1,0,0|2,1,0]=4 3463 B17R3.648661 c1cnc2nc(ccc2c1)NCC3CC3 27a_100000735609_100000075685 [0,0,0,1,0,0|3,0,0]=4 3464 B17R3.648661 c1cnc2nc(ccc2c1)SCC3CC3 62a_100000075685_100000742324 [0,0,0,1,0,0|2,1,0]=4 3465 B17R3.648661 c1cnc2nc(ccc2c1)SCC3CC3 62a_100000756562_100000075685 [0,0,0,1,0,0|2,1,0]=4 3466 B17R3.648661 c1ncc2cc(ccc2n1)SCC3CC3 62a_100000756562_100009989443 [0,0,0,1,0,0|2,1,0]=4 3467 B17R3.648661 c1ncc2cc(ccc2n1)SCC3CC3 62a_100009989443_100000742324 [0,0,0,1,0,0|2,1,0]=4 3468 B17R3.648661 c1ncc2ccc(cc2n1)NCC3CC3 27a_100000735609_100010185614 [0,0,0,1,0,0|3,0,0]=4 3469 B17R3.648661 c1ncc2ccc(cc2n1)SCC3CC3 62a_100000756562_100010185614 [0,0,0,1,0,0|2,1,0]=4 3470 B17R3.648661 c1ncc2ccc(cc2n1)SCC3CC3 62a_100010185614_100000742324 [0,0,0,1,0,0|2,1,0]=4 3471 B15R2.6 C=C(C)COc1csc2c1cccc2 34a_100000077758_100000748629 [0,0,0,0,1,0|1,0,2]=4 3472 B15R2.6 C=C(C)COc1csc2c1cccc2 7a_100000077758_100000748629 [0,0,0,0,1,0|1,0,2]=4 3473 B15R2.6 CC(C)C=Cc1coc2c1cccc2 271570a_100016257149_100009812202 [0,0,0,0,1,0|2,0,1]=4 3474 B15R2.6 CC(C)C=Cc1csc2c1cccc2 271570a_100016257149_100009813928 [0,0,0,0,1,0|2,0,1]=4 3475 B15R2.6 CC(C)COC1CCc2c1cccc2 34a_100000212247_100000210624 [0,0,0,0,1,0|0,0,3]=4 3476 B15R2.6 CC(C)COC1CCc2c1cccc2 7a_100000212247_100000210760 [0,0,0,0,1,0|0,0,3]=4 3477 B15R2.6 CC(C)COc1csc2c1cccc2 34a_100000077758_100000210624 [0,0,0,0,1,0|1,0,0]=2 3478 B15R2.6 CC(C)COc1csc2c1cccc2 7a_100000077758_100000210760 [0,0,0,0,1,0|1,0,0]=2 3479 B15R2.6 CC(C)CSc1c[nH]c2c1cccn2 62a_100000210624_100011934613 [0,0,0,0,1,0|2,1,0]=4 3480 B15R2.6 CC(C)CSc1c[nH]c2c1ccnc2 62a_100000210624_100010232032 [0,0,0,0,1,0|2,1,0]=4 3481 B15R2.6 CC(C)CSc1c[nH]c2c1cncc2 62a_100000210624_100000753697 [0,0,0,0,1,0|2,1,0]=4 3482 B15R2.6 CC(C)CSc1c[nH]c2c1nccc2 62a_100000210624_100009817151 [0,0,0,0,1,0|2,1,0]=4 3483 B15R2.6 CC(C)CSc1cnc2n1cccc2 62a_100000210624_100011219245 [0,0,0,0,1,0|2,1,0]=4 3484 B15R2.6 CC(C)CSc1cnn2c1cccc2 62a_100000210624_100009817726 [0,0,0,0,1,0|2,1,0]=4 3485 B15R2.6 CC(C)CSc1coc2c1cccc2 62a_100000210624_100009812202 [0,0,0,0,1,0|1,1,0]=3 3486 B15R2.6 CC(C)CSc1coc2c1nccc2 62a_100000210624_100009889148 [0,0,0,0,1,0|2,1,0]=4 3487 B15R2.6 CC(C)CSc1csc2c1cccc2 62a_100000210624_100009813928 [0,0,0,0,1,0|1,1,0]=3 3488 B15R2.6 CC(C)CSc1csc2c1cccn2 62a_100000210624_100009830249 [0,0,0,0,1,0|2,1,0]=4 3489 B15R2.6 CC(C)CSc1csc2c1cccn2 62a_100009830249_100000210760 [0,0,0,0,1,0|2,1,0]=4 3490 B15R2.6 CC(C)CSc1csc2c1ccnc2 62a_100000210624_100009817111 [0,0,0,0,1,0|2,1,0]=4 3491 B15R2.6 CC(C)CSc1csc2c1ccnc2 62a_100009817111_100000210760 [0,0,0,0,1,0|2,1,0]=4 3492 B15R2.6 CC(C)CSc1csc2c1cncc2 62a_100000210624_100010247091 [0,0,0,0,1,0|2,1,0]=4 3493 B15R2.6 CC(C)CSc1csc2c1cncc2 62a_100010247091_100000210760 [0,0,0,0,1,0|2,1,0]=4 3494 B15R2.6 CC(C)CSc1csc2c1nccc2 62a_100000210624_100010247092 [0,0,0,0,1,0|2,1,0]=4 3495 B15R2.6 CC(C)CSc1n[nH]c2c1cccc2 62a_100000210624_100000050141 [0,0,0,0,1,0|2,1,0]=4 3496 B15R2.6 CC(C)CSc1ncn2c1cccc2 62a_100000210624_100010892795 [0,0,0,0,1,0|2,1,0]=4 3497 B15R2.6 CC(C)CSc1noc2c1cccc2 62a_100000210624_200000703156 [0,0,0,0,1,0|2,1,0]=4 3498 B15R2.6 CC(C)CSc1noc2c1cccc2 62a_200000703156_100000210760 [0,0,0,0,1,0|2,1,0]=4 3499 B15R2.6 CC(C)NCc1coc2c1cccc2 207a_100138425928_100000688544 [0,0,0,0,1,0|3,0,0]=4 3500 B15R2.6 CC(C)NCc1csc2c1cccc2 207a_100138425928_100000239721 [0,0,0,0,1,0|3,0,0]=4 3501 B15R2.6 CC(C)NCc1csc2c1cccc2 2230a_100138425928_200000742921 [0,0,0,0,1,0|3,0,0]=4 3502 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100000744611_100000210206 [0,0,0,0,1,0|3,0,0]=4 3503 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100138425928_200000742921 [0,0,0,0,1,0|3,0,0]=4 3504 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100000212225_200000742921 [0,0,0,0,1,0|3,0,0]=4 3505 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100011219454_100000210206 [0,0,0,0,1,0|3,0,0]=4 3506 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_100000210206_200000742921 [0,0,0,0,1,0|3,0,0]=4 3507 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_200000742921_100000210206 [0,0,0,0,1,0|3,0,0]=4 3508 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [0,0,0,0,1,0|2,0,0]=3 3509 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [0,0,0,0,1,0|2,0,0]=3 3510 B15R2.6 CC(O)CSc1coc2c1cccc2 62a_100011218427_100009812202 [0,0,0,0,1,0|2,1,0]=4 3511 B15R2.6 CC(O)CSc1csc2c1cccc2 62a_100011218427_100009813928 [0,0,0,0,1,0|2,1,0]=4 3512 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [0,0,0,0,1,0|3,0,0]=4 3513 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [0,0,0,0,1,0|3,0,0]=4 3514 B15R2.6 CN(C)CCn1ccc2c1cccc2 2230a_100015183269_200000210301 [0,0,0,0,1,0|3,0,0]=4 3515 B15R2.6 CN(C)CCn1ccc2c1cccc2 269982a_100015183269_200000210301 [0,0,0,0,1,0|3,0,0]=4 3516 B15R2.6 CN([13CH3])CCn1ccc2c1cccc2 2230a_100015183269_200025704644 [0,0,0,0,1,0|3,0,0]=4 3517 B15R2.6 CN([13CH3])CCn1ccc2c1cccc2 269982a_100015183269_200025704644 [0,0,0,0,1,0|3,0,0]=4 3518 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [0,0,0,0,1,0|2,0,0]=3 3519 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [0,0,0,0,1,0|2,0,0]=3 3520 B15R2.6 C[C@@H](O)CSc1coc2c1cccc2 62a_100009817552_100009812202 [0,0,0,0,1,0|2,1,0]=4 3521 B15R2.6 C[C@@H](O)CSc1csc2c1cccc2 62a_100009817552_100009813928 [0,0,0,0,1,0|2,1,0]=4 3522 B15R2.6 FC(F)COc1csc2c1cccc2 34a_100000077758_100011934356 [0,0,0,0,1,0|3,0,0]=4 3523 B15R2.6 FC(F)COc1csc2c1cccc2 7a_100000077758_100011934356 [0,0,0,0,1,0|3,0,0]=4 3524 B15R2.1660 CC(C)C=Cc1cc2ccccc2[nH]1 271570a_100016257149_100010232065 [0,0,0,0,1,0|2,0,1]=4 3525 B15R2.1660 CC(C)C=Cc1cc2ccccc2o1 271570a_100016257149_100010159458 [0,0,0,0,1,0|2,0,1]=4 3526 B15R2.1660 CC(C)C=Cc1cc2ccccc2s1 271570a_100016257149_100009816949 [0,0,0,0,1,0|2,0,1]=4 3527 B15R2.1660 CC(C)CNc1nc2ccccc2[nH]1 27a_100000210953_100009814255 [0,0,0,0,1,0|3,0,0]=4 3528 B15R2.1660 CC(C)CNc1nc2ccccc2s1 27a_100000210953_100000751744 [0,0,0,0,1,0|3,0,0]=4 3529 B15R2.1660 CC(C)COC1Cc2ccccc2C1 34a_100000210257_100000753484 [0,0,0,0,1,0|0,0,3]=4 3530 B15R2.1660 CC(C)COC1Cc2ccccc2C1 34a_100011215286_100000210624 [0,0,0,0,1,0|0,0,3]=4 3531 B15R2.1660 CC(C)CSc1cc2ccccc2[nH]1 62a_100000210624_100010232065 [0,0,0,0,1,0|1,1,0]=3 3532 B15R2.1660 CC(C)CSc1cc2ccccc2o1 62a_100000210624_100010159458 [0,0,0,0,1,0|1,1,0]=3 3533 B15R2.1660 CC(C)CSc1cc2ccccc2s1 62a_100000210624_100009816949 [0,0,0,0,1,0|1,1,0]=3 3534 B15R2.1660 CC(C)CSc1cc2cccnc2[nH]1 62a_100000210624_100010079843 [0,0,0,0,1,0|2,1,0]=4 3535 B15R2.1660 CC(C)CSc1cn2ccccc2n1 62a_100000210624_100009819586 [0,0,0,0,1,0|2,1,0]=4 3536 B15R2.1660 CC(C)CSc1nc2ccccc2[nH]1 62a_100000210624_100009814255 [0,0,0,0,1,0|2,1,0]=4 3537 B15R2.1660 CC(C)CSc1nc2ccccc2s1 62a_100000210624_100000751744 [0,0,0,0,1,0|2,1,0]=4 3538 B15R2.1660 CC(C)NCc1cc2ccccc2o1 207a_100138425928_100000229944 [0,0,0,0,1,0|3,0,0]=4 3539 B15R2.1660 CC(C)NCc1cc2ccccc2s1 207a_100138425928_100000686906 [0,0,0,0,1,0|3,0,0]=4 3540 B15R2.1660 CC(C)NCc1cc2ccccc2s1 2230a_100015187092_100000210206 [0,0,0,0,1,0|3,0,0]=4 3541 B15R2.1660 CC(C)OCc1cc2ccccc2o1 34a_100000233474_100000210206 [0,0,0,0,1,0|3,0,0]=4 3542 B15R2.1660 CC(C)OCc1cc2ccccc2o1 7a_100000233474_100000210206 [0,0,0,0,1,0|3,0,0]=4 3543 B15R2.1660 CC(O)CSc1cc2ccccc2[nH]1 62a_100011218427_100010232065 [0,0,0,0,1,0|2,1,0]=4 3544 B15R2.1660 CC(O)CSc1cc2ccccc2o1 62a_100011218427_100010159458 [0,0,0,0,1,0|2,1,0]=4 3545 B15R2.1660 CC(O)CSc1cc2ccccc2s1 62a_100011218427_100009816949 [0,0,0,0,1,0|2,1,0]=4 3546 B15R2.1660 C[C@@H](O)CSc1cc2ccccc2[nH]1 62a_100009817552_100010232065 [0,0,0,0,1,0|2,1,0]=4 3547 B15R2.1660 C[C@@H](O)CSc1cc2ccccc2o1 62a_100009817552_100010159458 [0,0,0,0,1,0|2,1,0]=4 3548 B15R2.1660 C[C@@H](O)CSc1cc2ccccc2s1 62a_100009817552_100009816949 [0,0,0,0,1,0|2,1,0]=4 3549 B15R2.1668 CC(=Cc1cc2ccccc2cn1)C 271570a_100102525489_100000047361 [0,0,0,0,1,0|1,0,2]=4 3550 B15R2.1668 CC(=Cc1ccc2ccccc2c1)C 271570a_100102525489_100000233703 [0,0,0,0,1,0|0,0,2]=3 3551 B15R2.1668 CC(=Cc1ccc2ccccc2n1)C 271570a_100102525489_100011291633 [0,0,0,0,1,0|1,0,2]=4 3552 B15R2.1668 CC(=Cc1ccc2cccnc2c1)C 271570a_100102525489_100009816655 [0,0,0,0,1,0|1,0,2]=4 3553 B15R2.1668 CC(=Cc1ccc2ccncc2c1)C 271570a_100102525489_100000686496 [0,0,0,0,1,0|1,0,2]=4 3554 B15R2.1668 CC(=Cc1ccc2cnccc2c1)C 271570a_100102525489_100009816743 [0,0,0,0,1,0|1,0,2]=4 3555 B15R2.1668 CC(=Cc1ccc2ncccc2c1)C 271570a_100102525489_100000754243 [0,0,0,0,1,0|1,0,2]=4 3556 B15R2.1668 CC(=Cc1cnc2ccccc2c1)C 271570a_100102525489_100000737414 [0,0,0,0,1,0|1,0,2]=4 3557 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,0,0,0,1,0|2,0,1]=4 3558 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,0,0,0,1,0|1,0,1]=3 3559 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,0,0,0,1,0|1,0,1]=3 3560 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,0,0,0,1,0|2,0,1]=4 3561 B15R2.1668 CC(=O)Cc1ccc2cnccc2c1 1458a_100000070787_100020605334 [0,0,0,0,1,0|2,0,1]=4 3562 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100000070787_100000703657 [0,0,0,0,1,0|2,0,1]=4 3563 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200000210301 [0,0,0,0,1,0|2,0,1]=4 3564 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,0,0,0,1,0|2,0,1]=4 3565 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,0,0,0,1,0|2,0,1]=4 3566 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,0,0,0,1,0|2,0,1]=4 3567 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,0,0,0,1,0|2,0,1]=4 3568 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,0,0,0,1,0|1,0,0]=2 3569 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,0,0,0,1,0|1,0,0]=2 3570 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 27a_100138425928_100011291633 [0,0,0,0,1,0|2,0,0]=3 3571 B15R2.1668 CC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000210206 [0,0,0,0,1,0|2,0,0]=3 3572 B15R2.1668 CC(C)Nc1ccc2cccnc2n1 27a_100138425928_100000075685 [0,0,0,0,1,0|3,0,0]=4 3573 B15R2.1668 CC(C)Nc1ccc2ccncc2n1 27a_100138425928_100000020162 [0,0,0,0,1,0|3,0,0]=4 3574 B15R2.1668 CC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000210206 [0,0,0,0,1,0|2,0,0]=3 3575 B15R2.1668 CC(C)Nc1ccc2cncnc2c1 27a_100138425928_100010185614 [0,0,0,0,1,0|3,0,0]=4 3576 B15R2.1668 CC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000210206 [0,0,0,0,1,0|2,0,0]=3 3577 B15R2.1668 CC(C)Nc1ccc2ncccc2n1 27a_100138425928_100000073381 [0,0,0,0,1,0|3,0,0]=4 3578 B15R2.1668 CC(C)Nc1ccc2nccnc2c1 27a_100138425928_100011219451 [0,0,0,0,1,0|3,0,0]=4 3579 B15R2.1668 CC(C)Nc1ccc2nccnc2c1 34a_100011219565_100000210206 [0,0,0,0,1,0|3,0,0]=4 3580 B15R2.1668 CC(C)Nc1cnc2ccccc2n1 27a_100138425928_100000756483 [0,0,0,0,1,0|3,0,0]=4 3581 B15R2.1668 CC(C)Nc1ncc2ccccc2n1 27a_100138425928_100000097389 [0,0,0,0,1,0|3,0,0]=4 3582 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,0,0,0,1,0|0,0,0]=1 3583 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,0,0,0,1,0|0,0,0]=1 3584 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210206 [0,0,0,0,1,0|1,0,0]=2 3585 B15R2.1668 CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000210206 [0,0,0,0,1,0|1,0,0]=2 3586 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210206 [0,0,0,0,1,0|1,0,0]=2 3587 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000210206 [0,0,0,0,1,0|1,0,0]=2 3588 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210206 [0,0,0,0,1,0|1,0,0]=2 3589 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000210206 [0,0,0,0,1,0|1,0,0]=2 3590 B15R2.1668 CC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000210206 [0,0,0,0,1,0|2,0,0]=3 3591 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,0,0,0,1,0|1,0,0]=2 3592 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,0,0,0,1,0|1,0,0]=2 3593 B15R2.1668 CC(C)Sc1cc2ccccc2cn1 62a_100000210206_100000047361 [0,0,0,0,1,0|1,1,0]=3 3594 B15R2.1668 CC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000210206 [0,0,0,0,1,0|1,1,0]=3 3595 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,0,0,0,1,0|0,1,0]=2 3596 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100000210206_100011291633 [0,0,0,0,1,0|1,1,0]=3 3597 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000210206 [0,0,0,0,1,0|1,1,0]=3 3598 B15R2.1668 CC(C)Sc1ccc2cccnc2c1 62a_100000210206_100009816655 [0,0,0,0,1,0|1,1,0]=3 3599 B15R2.1668 CC(C)Sc1ccc2cccnc2n1 62a_100000075685_100000210206 [0,0,0,0,1,0|2,1,0]=4 3600 B15R2.1668 CC(C)Sc1ccc2cccnc2n1 62a_100000210206_100000075685 [0,0,0,0,1,0|2,1,0]=4 3601 B15R2.1668 CC(C)Sc1ccc2ccncc2c1 62a_100000210206_100000686496 [0,0,0,0,1,0|1,1,0]=3 3602 B15R2.1668 CC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000210206 [0,0,0,0,1,0|1,1,0]=3 3603 B15R2.1668 CC(C)Sc1ccc2ccncc2n1 62a_100000210206_100000020162 [0,0,0,0,1,0|2,1,0]=4 3604 B15R2.1668 CC(C)Sc1ccc2cnccc2c1 62a_100000210206_100009816743 [0,0,0,0,1,0|1,1,0]=3 3605 B15R2.1668 CC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000210206 [0,0,0,0,1,0|1,1,0]=3 3606 B15R2.1668 CC(C)Sc1ccc2cncnc2c1 62a_100000210206_100010185614 [0,0,0,0,1,0|2,1,0]=4 3607 B15R2.1668 CC(C)Sc1ccc2cncnc2c1 62a_100010185614_100000210206 [0,0,0,0,1,0|2,1,0]=4 3608 B15R2.1668 CC(C)Sc1ccc2cnncc2c1 62a_100000210206_100010198781 [0,0,0,0,1,0|2,1,0]=4 3609 B15R2.1668 CC(C)Sc1ccc2cnncc2c1 62a_100010198781_100000210206 [0,0,0,0,1,0|2,1,0]=4 3610 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100000210206_100011215947 [0,0,0,0,1,0|1,1,0]=3 3611 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000210206 [0,0,0,0,1,0|1,1,0]=3 3612 B15R2.1668 CC(C)Sc1ccc2ncccc2n1 62a_100000210206_100000073381 [0,0,0,0,1,0|2,1,0]=4 3613 B15R2.1668 CC(C)Sc1ccc2nccnc2c1 62a_100000210206_100011219451 [0,0,0,0,1,0|2,1,0]=4 3614 B15R2.1668 CC(C)Sc1ccc2nccnc2c1 62a_100011219451_100000210206 [0,0,0,0,1,0|2,1,0]=4 3615 B15R2.1668 CC(C)Sc1ccc2ncncc2c1 62a_100000210206_100009989443 [0,0,0,0,1,0|2,1,0]=4 3616 B15R2.1668 CC(C)Sc1ccc2ncncc2c1 62a_100009989443_100000210206 [0,0,0,0,1,0|2,1,0]=4 3617 B15R2.1668 CC(C)Sc1ccc2nnccc2c1 62a_100000210206_100010209549 [0,0,0,0,1,0|2,1,0]=4 3618 B15R2.1668 CC(C)Sc1ccc2nnccc2c1 62a_100010209549_100000210206 [0,0,0,0,1,0|2,1,0]=4 3619 B15R2.1668 CC(C)Sc1cnc2ccccc2c1 62a_100000210206_100000737414 [0,0,0,0,1,0|1,1,0]=3 3620 B15R2.1668 CC(C)Sc1cnc2ccccc2n1 62a_100000210206_100000756483 [0,0,0,0,1,0|2,1,0]=4 3621 B15R2.1668 CC(C)Sc1cnc2ccccc2n1 62a_100000756483_100000210206 [0,0,0,0,1,0|2,1,0]=4 3622 B15R2.1668 CC(C)Sc1cnc2cccnc2c1 62a_100000210206_100010246316 [0,0,0,0,1,0|2,1,0]=4 3623 B15R2.1668 CC(C)Sc1cnc2cccnc2c1 62a_100010246316_100000210206 [0,0,0,0,1,0|2,1,0]=4 3624 B15R2.1668 CC(C)Sc1ncc2ccccc2n1 62a_100000210206_100000097389 [0,0,0,0,1,0|2,1,0]=4 3625 B15R2.1668 CN(C)CC1=Cc2ccccc2OC1 270004a_100102631434_100000013085 [0,0,0,0,1,0|2,0,1]=4 3626 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 2230a_100102631434_100009869231 [0,0,0,0,1,0|2,0,0]=3 3627 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 269982a_100102631434_100009869231 [0,0,0,0,1,0|2,0,0]=3 3628 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 270004a_100102631434_100000059776 [0,0,0,0,1,0|2,0,0]=3 3629 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_200000210301 [0,0,0,0,1,0|1,0,0]=2 3630 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100102631434_100011216711 [0,0,0,0,1,0|1,0,0]=2 3631 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_200000210301 [0,0,0,0,1,0|1,0,0]=2 3632 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100102631434_100011216711 [0,0,0,0,1,0|1,0,0]=2 3633 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 270004a_100102631434_100000211584 [0,0,0,0,1,0|1,0,0]=2 3634 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 2230a_100102631434_100000737579 [0,0,0,0,1,0|2,0,0]=3 3635 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 270004a_100102631434_100000759686 [0,0,0,0,1,0|2,0,0]=3 3636 B15R2.1668 CN(C)Cc1ccc2cccnc2c1 270004a_100102631434_100011784159 [0,0,0,0,1,0|2,0,0]=3 3637 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 2230a_100102631434_100020605334 [0,0,0,0,1,0|2,0,0]=3 3638 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 269982a_100102631434_100020605334 [0,0,0,0,1,0|2,0,0]=3 3639 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 270004a_100102631434_100000068276 [0,0,0,0,1,0|2,0,0]=3 3640 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100000207558_200000210301 [0,0,0,0,1,0|2,0,0]=3 3641 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100102631434_100000703657 [0,0,0,0,1,0|2,0,0]=3 3642 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100000207558_200000210301 [0,0,0,0,1,0|2,0,0]=3 3643 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100102631434_100000703657 [0,0,0,0,1,0|2,0,0]=3 3644 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 270004a_100102631434_100000211315 [0,0,0,0,1,0|2,0,0]=3 3645 B15R2.1668 CN(C)Cc1ccc2nccnc2c1 2230a_100102631434_200011762199 [0,0,0,0,1,0|3,0,0]=4 3646 B15R2.1668 CN(C)Cc1ccc2nccnc2c1 270004a_100102631434_100000239887 [0,0,0,0,1,0|3,0,0]=4 3647 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 2230a_100011875994_200000210301 [0,0,0,0,1,0|2,0,0]=3 3648 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 269982a_100011875994_200000210301 [0,0,0,0,1,0|2,0,0]=3 3649 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 270004a_100102631434_100000750898 [0,0,0,0,1,0|2,0,0]=3 3650 B15R2.1668 CN(C)Cc1cnc2ccccc2n1 2230a_100015184070_200000210301 [0,0,0,0,1,0|3,0,0]=4 3651 B15R2.1668 CN(C)Cc1cnc2ccccc2n1 269982a_100015184070_200000210301 [0,0,0,0,1,0|3,0,0]=4 3652 B15R2.1668 CN(C)Cc1cnc2ccccc2n1 270004a_100102631434_100000204677 [0,0,0,0,1,0|3,0,0]=4 3653 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 2230a_100000185194_200025704644 [0,0,0,0,1,0|1,0,0]=2 3654 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 269982a_100000185194_200025704644 [0,0,0,0,1,0|1,0,0]=2 3655 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 2230a_100000207558_200025704644 [0,0,0,0,1,0|2,0,0]=3 3656 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 269982a_100000207558_200025704644 [0,0,0,0,1,0|2,0,0]=3 3657 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 2230a_100011875994_200025704644 [0,0,0,0,1,0|2,0,0]=3 3658 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 269982a_100011875994_200025704644 [0,0,0,0,1,0|2,0,0]=3 3659 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2n1 2230a_100015184070_200025704644 [0,0,0,0,1,0|3,0,0]=4 3660 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2n1 269982a_100015184070_200025704644 [0,0,0,0,1,0|3,0,0]=4 3661 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,0,0,0,1,0|1,0,1]=3 3662 B15R2.1668 [13CH3]C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200025704644 [0,0,0,0,1,0|2,0,1]=4 3663 B15R2.7688 C=C(C)COc1ccc2[nH]ccc2c1 34a_100000756620_100000748629 [0,0,0,0,1,0|1,0,2]=4 3664 B15R2.7688 C=C(C)COc1ccc2cc[nH]c2c1 34a_100000036713_100000748629 [0,0,0,0,1,0|1,0,2]=4 3665 B15R2.7688 C=C(C)COc1ccc2ccoc2c1 34a_100000089557_100000748629 [0,0,0,0,1,0|1,0,2]=4 3666 B15R2.7688 C=C(C)COc1ccc2ccoc2c1 7a_100000089557_100000748629 [0,0,0,0,1,0|1,0,2]=4 3667 B15R2.7688 C=C(C)COc1ccc2occc2c1 34a_100000070125_100000748629 [0,0,0,0,1,0|1,0,2]=4 3668 B15R2.7688 C=C(C)COc1ccc2occc2c1 7a_100000070125_100000748629 [0,0,0,0,1,0|1,0,2]=4 3669 B15R2.7688 C=C(C)COc1ccc2sccc2c1 34a_100012180905_100000748629 [0,0,0,0,1,0|1,0,2]=4 3670 B15R2.7688 C=C(C)COc1ccc2sccc2c1 7a_100012180905_100000748629 [0,0,0,0,1,0|1,0,2]=4 3671 B15R2.7688 CC(C)C=Cc1ccc2[nH]ccc2c1 271570a_100016257149_100000211741 [0,0,0,0,1,0|2,0,1]=4 3672 B15R2.7688 CC(C)C=Cc1ccc2c(c1)C=CC2 271570a_100016257149_100009814306 [0,0,0,0,1,0|1,0,2]=4 3673 B15R2.7688 CC(C)C=Cc1ccc2c(c1)CC=C2 271570a_100016257149_200009818231 [0,0,0,0,1,0|1,0,2]=4 3674 B15R2.7688 CC(C)C=Cc1ccc2cc[nH]c2c1 271570a_100016257149_100000743809 [0,0,0,0,1,0|2,0,1]=4 3675 B15R2.7688 CC(C)C=Cc1ccc2ccoc2c1 271570a_100016257149_100000759542 [0,0,0,0,1,0|2,0,1]=4 3676 B15R2.7688 CC(C)C=Cc1ccc2ccsc2c1 271570a_100016257149_100009888917 [0,0,0,0,1,0|2,0,1]=4 3677 B15R2.7688 CC(C)C=Cc1ccc2cscc2c1 271570a_100016257149_200010760811 [0,0,0,0,1,0|2,0,1]=4 3678 B15R2.7688 CC(C)C=Cc1ccc2occc2c1 271570a_100016257149_100012343831 [0,0,0,0,1,0|2,0,1]=4 3679 B15R2.7688 CC(C)C=Cc1ccc2sccc2c1 271570a_100016257149_100009814439 [0,0,0,0,1,0|2,0,1]=4 3680 B15R2.7688 CC(C)CNc1ccc2ccoc2c1 34a_100000102395_100000210624 [0,0,0,0,1,0|2,0,0]=3 3681 B15R2.7688 CC(C)CNc1ccc2cnoc2c1 34a_100000084182_100000210624 [0,0,0,0,1,0|3,0,0]=4 3682 B15R2.7688 CC(C)CNc1ccc2ncoc2c1 34a_100011248239_100000210624 [0,0,0,0,1,0|3,0,0]=4 3683 B15R2.7688 CC(C)CNc1ccc2ncsc2c1 34a_100011215093_100000210624 [0,0,0,0,1,0|3,0,0]=4 3684 B15R2.7688 CC(C)CNc1ccc2occc2c1 34a_106430523501_100000210624 [0,0,0,0,1,0|2,0,0]=3 3685 B15R2.7688 CC(C)CNc1ccc2ocnc2c1 34a_100011219863_100000210624 [0,0,0,0,1,0|3,0,0]=4 3686 B15R2.7688 CC(C)CNc1ccc2oncc2c1 34a_100000037595_100000210624 [0,0,0,0,1,0|3,0,0]=4 3687 B15R2.7688 CC(C)CNc1ccc2sccc2c1 34a_100000681076_100000210624 [0,0,0,0,1,0|2,0,0]=3 3688 B15R2.7688 CC(C)CNc1ccc2sccc2n1 27a_100000210953_100012000956 [0,0,0,0,1,0|3,0,0]=4 3689 B15R2.7688 CC(C)CNc1ccc2scnc2c1 34a_100000047738_100000210624 [0,0,0,0,1,0|3,0,0]=4 3690 B15R2.7688 CC(C)CNc1ccc2sncc2c1 34a_100000077742_100000210624 [0,0,0,0,1,0|3,0,0]=4 3691 B15R2.7688 CC(C)COc1ccc2[nH]ccc2c1 34a_100000756620_100000210624 [0,0,0,0,1,0|1,0,0]=2 3692 B15R2.7688 CC(C)COc1ccc2c(c1)CCC2 34a_100000209987_100000210624 [0,0,0,0,1,0|0,0,3]=4 3693 B15R2.7688 CC(C)COc1ccc2c(c1)CCC2 7a_100000209987_100000210760 [0,0,0,0,1,0|0,0,3]=4 3694 B15R2.7688 CC(C)COc1ccc2c(c1)CCN2 34a_100020636429_100000210624 [0,0,0,0,1,0|1,0,2]=4 3695 B15R2.7688 CC(C)COc1ccc2c(c1)CNC2 34a_100015195982_100000210624 [0,0,0,0,1,0|1,0,2]=4 3696 B15R2.7688 CC(C)COc1ccc2c(c1)NCC2 34a_100020636427_100000210624 [0,0,0,0,1,0|1,0,2]=4 3697 B15R2.7688 CC(C)COc1ccc2c(c1)OCO2 34a_100000210298_100000210624 [0,0,0,0,1,0|2,0,1]=4 3698 B15R2.7688 CC(C)COc1ccc2cc[nH]c2c1 34a_100000036713_100000210624 [0,0,0,0,1,0|1,0,0]=2 3699 B15R2.7688 CC(C)COc1ccc2ccoc2c1 34a_100000089557_100000210624 [0,0,0,0,1,0|1,0,0]=2 3700 B15R2.7688 CC(C)COc1ccc2ccoc2c1 7a_100000089557_100000210760 [0,0,0,0,1,0|1,0,0]=2 3701 B15R2.7688 CC(C)COc1ccc2cnoc2c1 34a_100000098417_100000210624 [0,0,0,0,1,0|2,0,0]=3 3702 B15R2.7688 CC(C)COc1ccc2cnoc2c1 7a_100000098417_100000210760 [0,0,0,0,1,0|2,0,0]=3 3703 B15R2.7688 CC(C)COc1ccc2ncsc2c1 34a_100011995850_100000210624 [0,0,0,0,1,0|2,0,0]=3 3704 B15R2.7688 CC(C)COc1ccc2ncsc2c1 7a_100011995850_100000210760 [0,0,0,0,1,0|2,0,0]=3 3705 B15R2.7688 CC(C)COc1ccc2nonc2c1 34a_100000036933_100000210624 [0,0,0,0,1,0|3,0,0]=4 3706 B15R2.7688 CC(C)COc1ccc2occc2c1 34a_100000070125_100000210624 [0,0,0,0,1,0|1,0,0]=2 3707 B15R2.7688 CC(C)COc1ccc2occc2c1 7a_100000070125_100000210760 [0,0,0,0,1,0|1,0,0]=2 3708 B15R2.7688 CC(C)COc1ccc2sccc2c1 34a_100012180905_100000210624 [0,0,0,0,1,0|1,0,0]=2 3709 B15R2.7688 CC(C)COc1ccc2sccc2c1 7a_100012180905_100000210760 [0,0,0,0,1,0|1,0,0]=2 3710 B15R2.7688 CC(C)COc1ccc2scnc2c1 34a_200009850626_100000210624 [0,0,0,0,1,0|2,0,0]=3 3711 B15R2.7688 CC(C)COc1ccc2scnc2c1 7a_200009850626_100000210760 [0,0,0,0,1,0|2,0,0]=3 3712 B15R2.7688 CC(C)COc1ccn2ccnc2c1 34a_100009863278_100000210624 [0,0,0,0,1,0|2,0,0]=3 3713 B15R2.7688 CC(C)COc1cnc2[nH]ccc2c1 34a_100000087691_100000210624 [0,0,0,0,1,0|2,0,0]=3 3714 B15R2.7688 CC(C)CSc1cc2[nH]ccc2cn1 62a_100000210624_100000089685 [0,0,0,0,1,0|2,1,0]=4 3715 B15R2.7688 CC(C)CSc1cc2cc[nH]c2cn1 62a_100000210624_100009864809 [0,0,0,0,1,0|2,1,0]=4 3716 B15R2.7688 CC(C)CSc1cc2sccc2cn1 62a_100000210624_200016184645 [0,0,0,0,1,0|2,1,0]=4 3717 B15R2.7688 CC(C)CSc1ccc2[nH]ccc2c1 62a_100000210624_100000035808 [0,0,0,0,1,0|1,1,0]=3 3718 B15R2.7688 CC(C)CSc1ccc2[nH]ccc2n1 62a_100000210624_100000087148 [0,0,0,0,1,0|2,1,0]=4 3719 B15R2.7688 CC(C)CSc1ccc2[nH]cnc2c1 62a_100000210624_100011265325 [0,0,0,0,1,0|2,1,0]=4 3720 B15R2.7688 CC(C)CSc1ccc2[nH]ncc2c1 62a_100000210624_100000049815 [0,0,0,0,1,0|2,1,0]=4 3721 B15R2.7688 CC(C)CSc1ccc2c(c1)C=CC2 62a_100000210624_100009814306 [0,0,0,0,1,0|0,1,1]=3 3722 B15R2.7688 CC(C)CSc1ccc2c(c1)C=CC2 62a_100009814306_100000210760 [0,0,0,0,1,0|0,1,1]=3 3723 B15R2.7688 CC(C)CSc1ccc2c(c1)CC=C2 62a_100000210624_200009818231 [0,0,0,0,1,0|0,1,1]=3 3724 B15R2.7688 CC(C)CSc1ccc2c(c1)CC=C2 62a_200009818231_100000210760 [0,0,0,0,1,0|0,1,1]=3 3725 B15R2.7688 CC(C)CSc1ccc2cc[nH]c2c1 62a_100000210624_100000743809 [0,0,0,0,1,0|1,1,0]=3 3726 B15R2.7688 CC(C)CSc1ccc2cc[nH]c2n1 62a_100000210624_100009814870 [0,0,0,0,1,0|2,1,0]=4 3727 B15R2.7688 CC(C)CSc1ccc2ccnn2c1 62a_100000210624_100009820231 [0,0,0,0,1,0|2,1,0]=4 3728 B15R2.7688 CC(C)CSc1ccc2ccoc2c1 62a_100000210624_100000759542 [0,0,0,0,1,0|1,1,0]=3 3729 B15R2.7688 CC(C)CSc1ccc2ccsc2c1 62a_100000210624_100009888917 [0,0,0,0,1,0|1,1,0]=3 3730 B15R2.7688 CC(C)CSc1ccc2cn[nH]c2c1 62a_100000210624_100000049514 [0,0,0,0,1,0|2,1,0]=4 3731 B15R2.7688 CC(C)CSc1ccc2cncn2c1 62a_100000210624_100009887162 [0,0,0,0,1,0|2,1,0]=4 3732 B15R2.7688 CC(C)CSc1ccc2cnoc2c1 62a_100000210624_100009817722 [0,0,0,0,1,0|2,1,0]=4 3733 B15R2.7688 CC(C)CSc1ccc2cscc2c1 62a_100000210624_200010760811 [0,0,0,0,1,0|1,1,0]=3 3734 B15R2.7688 CC(C)CSc1ccc2csnc2c1 62a_100000210624_100010170880 [0,0,0,0,1,0|2,1,0]=4 3735 B15R2.7688 CC(C)CSc1ccc2nccn2c1 62a_100000210624_100000746083 [0,0,0,0,1,0|2,1,0]=4 3736 B15R2.7688 CC(C)CSc1ccc2nccn2c1 62a_100000746083_100000210760 [0,0,0,0,1,0|2,1,0]=4 3737 B15R2.7688 CC(C)CSc1ccc2ncoc2c1 62a_100000210624_100009817590 [0,0,0,0,1,0|2,1,0]=4 3738 B15R2.7688 CC(C)CSc1ccc2ncsc2c1 62a_100000210624_100009816678 [0,0,0,0,1,0|2,1,0]=4 3739 B15R2.7688 CC(C)CSc1ccc2ncsc2c1 62a_100009816678_100000210760 [0,0,0,0,1,0|2,1,0]=4 3740 B15R2.7688 CC(C)CSc1ccc2occc2c1 62a_100000210624_100000691453 [0,0,0,0,1,0|1,1,0]=3 3741 B15R2.7688 CC(C)CSc1ccc2occc2n1 62a_100000210624_100009851292 [0,0,0,0,1,0|2,1,0]=4 3742 B15R2.7688 CC(C)CSc1ccc2ocnc2c1 62a_100000210624_100009816175 [0,0,0,0,1,0|2,1,0]=4 3743 B15R2.7688 CC(C)CSc1ccc2oncc2c1 62a_100000210624_100009817723 [0,0,0,0,1,0|2,1,0]=4 3744 B15R2.7688 CC(C)CSc1ccc2sccc2c1 62a_100000210624_100009814439 [0,0,0,0,1,0|1,1,0]=3 3745 B15R2.7688 CC(C)CSc1ccc2sccc2n1 62a_100000210624_100012000956 [0,0,0,0,1,0|2,1,0]=4 3746 B15R2.7688 CC(C)CSc1ccc2scnc2c1 62a_100000210624_100010005895 [0,0,0,0,1,0|2,1,0]=4 3747 B15R2.7688 CC(C)CSc1ccn2ccnc2c1 62a_100000210624_100000087792 [0,0,0,0,1,0|2,1,0]=4 3748 B15R2.7688 CC(C)CSc1ccn2nccc2c1 62a_100000210624_100000763084 [0,0,0,0,1,0|2,1,0]=4 3749 B15R2.7688 CC(C)CSc1cnc2[nH]ccc2c1 62a_100000210624_100000760471 [0,0,0,0,1,0|2,1,0]=4 3750 B15R2.7688 CC(C)CSc1cnc2cc[nH]c2c1 62a_100000210624_100009818992 [0,0,0,0,1,0|2,1,0]=4 3751 B15R2.7688 CC(C)CSc1cnc2sccc2c1 62a_100000210624_100010135160 [0,0,0,0,1,0|2,1,0]=4 3752 B15R2.7688 CC(C)NCc1ccc2[nH]ccc2c1 207a_100138425928_100011197475 [0,0,0,0,1,0|3,0,0]=4 3753 B15R2.7688 CC(C)NCc1ccc2cc[nH]c2c1 207a_100138425928_100011218920 [0,0,0,0,1,0|3,0,0]=4 3754 B15R2.7688 CC(C)NCc1ccc2ccsc2c1 207a_100138425928_100000112508 [0,0,0,0,1,0|3,0,0]=4 3755 B15R2.7688 CC(C)NCc1ccc2occc2c1 207a_100138425928_100000040644 [0,0,0,0,1,0|3,0,0]=4 3756 B15R2.7688 CC(C)NCc1ccc2occc2c1 2230a_100020591328_100000210206 [0,0,0,0,1,0|3,0,0]=4 3757 B15R2.7688 CC(C)NCc1ccc2occc2c1 34a_100020591328_100000210206 [0,0,0,0,1,0|3,0,0]=4 3758 B15R2.7688 CC(C)NCc1ccc2sccc2c1 207a_100138425928_100000050658 [0,0,0,0,1,0|3,0,0]=4 3759 B15R2.7688 CC(C)NCc1ccc2sccc2c1 2230a_100000732457_100000210206 [0,0,0,0,1,0|3,0,0]=4 3760 B15R2.7688 CC(C)NCc1ccc2sccc2c1 34a_100000732457_100000210206 [0,0,0,0,1,0|3,0,0]=4 3761 B15R2.7688 CC(C)OCc1ccc2ccoc2c1 34a_200009859634_100000210206 [0,0,0,0,1,0|3,0,0]=4 3762 B15R2.7688 CC(C)OCc1ccc2ccoc2c1 7a_200009859634_100000210206 [0,0,0,0,1,0|3,0,0]=4 3763 B15R2.7688 CC(C)OCc1ccc2ccsc2c1 34a_100010262773_100000210206 [0,0,0,0,1,0|3,0,0]=4 3764 B15R2.7688 CC(C)OCc1ccc2ccsc2c1 7a_100010262773_100000210206 [0,0,0,0,1,0|3,0,0]=4 3765 B15R2.7688 CC(C)OCc1ccc2occc2c1 34a_100000067418_100000210206 [0,0,0,0,1,0|3,0,0]=4 3766 B15R2.7688 CC(C)OCc1ccc2occc2c1 7a_100000067418_100000210206 [0,0,0,0,1,0|3,0,0]=4 3767 B15R2.7688 CC(C)OCc1ccc2sccc2c1 34a_100000068000_100000210206 [0,0,0,0,1,0|3,0,0]=4 3768 B15R2.7688 CC(C)OCc1ccc2sccc2c1 7a_100000068000_100000210206 [0,0,0,0,1,0|3,0,0]=4 3769 B15R2.7688 CC(O)CNc1ccc2ccoc2c1 34a_100000102395_100011218427 [0,0,0,0,1,0|3,0,0]=4 3770 B15R2.7688 CC(O)CNc1ccc2occc2c1 34a_106430523501_100011218427 [0,0,0,0,1,0|3,0,0]=4 3771 B15R2.7688 CC(O)CNc1ccc2sccc2c1 34a_100000681076_100011218427 [0,0,0,0,1,0|3,0,0]=4 3772 B15R2.7688 CC(O)COc1ccc2[nH]ccc2c1 34a_100000756620_100011218427 [0,0,0,0,1,0|2,0,0]=3 3773 B15R2.7688 CC(O)COc1ccc2cc[nH]c2c1 34a_100000036713_100011218427 [0,0,0,0,1,0|2,0,0]=3 3774 B15R2.7688 CC(O)COc1ccc2ccoc2c1 34a_100000089557_100011218427 [0,0,0,0,1,0|2,0,0]=3 3775 B15R2.7688 CC(O)COc1ccc2ccoc2c1 7a_100000089557_100011218427 [0,0,0,0,1,0|2,0,0]=3 3776 B15R2.7688 CC(O)COc1ccc2cnoc2c1 34a_100000098417_100011218427 [0,0,0,0,1,0|3,0,0]=4 3777 B15R2.7688 CC(O)COc1ccc2cnoc2c1 7a_100000098417_100011218427 [0,0,0,0,1,0|3,0,0]=4 3778 B15R2.7688 CC(O)COc1ccc2ncsc2c1 34a_100011995850_100011218427 [0,0,0,0,1,0|3,0,0]=4 3779 B15R2.7688 CC(O)COc1ccc2ncsc2c1 7a_100011995850_100011218427 [0,0,0,0,1,0|3,0,0]=4 3780 B15R2.7688 CC(O)COc1ccc2occc2c1 34a_100000070125_100011218427 [0,0,0,0,1,0|2,0,0]=3 3781 B15R2.7688 CC(O)COc1ccc2occc2c1 7a_100000070125_100011218427 [0,0,0,0,1,0|2,0,0]=3 3782 B15R2.7688 CC(O)COc1ccc2sccc2c1 34a_100012180905_100011218427 [0,0,0,0,1,0|2,0,0]=3 3783 B15R2.7688 CC(O)COc1ccc2sccc2c1 7a_100012180905_100011218427 [0,0,0,0,1,0|2,0,0]=3 3784 B15R2.7688 CC(O)COc1ccc2scnc2c1 34a_200009850626_100011218427 [0,0,0,0,1,0|3,0,0]=4 3785 B15R2.7688 CC(O)COc1ccc2scnc2c1 7a_200009850626_100011218427 [0,0,0,0,1,0|3,0,0]=4 3786 B15R2.7688 CC(O)COc1ccn2ccnc2c1 34a_100009863278_100011218427 [0,0,0,0,1,0|3,0,0]=4 3787 B15R2.7688 CC(O)COc1cnc2[nH]ccc2c1 34a_100000087691_100011218427 [0,0,0,0,1,0|3,0,0]=4 3788 B15R2.7688 CC(O)CSc1ccc2[nH]ccc2c1 62a_100011218427_100000035808 [0,0,0,0,1,0|2,1,0]=4 3789 B15R2.7688 CC(O)CSc1ccc2c(c1)C=CC2 62a_100009814306_100011218427 [0,0,0,0,1,0|1,1,1]=4 3790 B15R2.7688 CC(O)CSc1ccc2c(c1)C=CC2 62a_100011218427_100009814306 [0,0,0,0,1,0|1,1,1]=4 3791 B15R2.7688 CC(O)CSc1ccc2c(c1)CC=C2 62a_100011218427_200009818231 [0,0,0,0,1,0|1,1,1]=4 3792 B15R2.7688 CC(O)CSc1ccc2c(c1)CC=C2 62a_200009818231_100011218427 [0,0,0,0,1,0|1,1,1]=4 3793 B15R2.7688 CC(O)CSc1ccc2cc[nH]c2c1 62a_100011218427_100000743809 [0,0,0,0,1,0|2,1,0]=4 3794 B15R2.7688 CC(O)CSc1ccc2ccoc2c1 62a_100011218427_100000759542 [0,0,0,0,1,0|2,1,0]=4 3795 B15R2.7688 CC(O)CSc1ccc2ccsc2c1 62a_100011218427_100009888917 [0,0,0,0,1,0|2,1,0]=4 3796 B15R2.7688 CC(O)CSc1ccc2cscc2c1 62a_100011218427_200010760811 [0,0,0,0,1,0|2,1,0]=4 3797 B15R2.7688 CC(O)CSc1ccc2occc2c1 62a_100011218427_100000691453 [0,0,0,0,1,0|2,1,0]=4 3798 B15R2.7688 CC(O)CSc1ccc2sccc2c1 62a_100011218427_100009814439 [0,0,0,0,1,0|2,1,0]=4 3799 B15R2.7688 C[C@@H](O)CNc1ccc2ccoc2c1 34a_100000102395_100009817552 [0,0,0,0,1,0|3,0,0]=4 3800 B15R2.7688 C[C@@H](O)CNc1ccc2occc2c1 34a_106430523501_100009817552 [0,0,0,0,1,0|3,0,0]=4 3801 B15R2.7688 C[C@@H](O)CNc1ccc2sccc2c1 34a_100000681076_100009817552 [0,0,0,0,1,0|3,0,0]=4 3802 B15R2.7688 C[C@@H](O)COc1ccc2[nH]ccc2c1 34a_100000756620_100009817552 [0,0,0,0,1,0|2,0,0]=3 3803 B15R2.7688 C[C@@H](O)COc1ccc2cc[nH]c2c1 34a_100000036713_100009817552 [0,0,0,0,1,0|2,0,0]=3 3804 B15R2.7688 C[C@@H](O)COc1ccc2ccoc2c1 34a_100000089557_100009817552 [0,0,0,0,1,0|2,0,0]=3 3805 B15R2.7688 C[C@@H](O)COc1ccc2ccoc2c1 7a_100000089557_100009817552 [0,0,0,0,1,0|2,0,0]=3 3806 B15R2.7688 C[C@@H](O)COc1ccc2cnoc2c1 34a_100000098417_100009817552 [0,0,0,0,1,0|3,0,0]=4 3807 B15R2.7688 C[C@@H](O)COc1ccc2cnoc2c1 7a_100000098417_100009817552 [0,0,0,0,1,0|3,0,0]=4 3808 B15R2.7688 C[C@@H](O)COc1ccc2ncsc2c1 34a_100011995850_100009817552 [0,0,0,0,1,0|3,0,0]=4 3809 B15R2.7688 C[C@@H](O)COc1ccc2ncsc2c1 7a_100011995850_100009817552 [0,0,0,0,1,0|3,0,0]=4 3810 B15R2.7688 C[C@@H](O)COc1ccc2occc2c1 34a_100000070125_100009817552 [0,0,0,0,1,0|2,0,0]=3 3811 B15R2.7688 C[C@@H](O)COc1ccc2occc2c1 7a_100000070125_100009817552 [0,0,0,0,1,0|2,0,0]=3 3812 B15R2.7688 C[C@@H](O)COc1ccc2sccc2c1 34a_100012180905_100009817552 [0,0,0,0,1,0|2,0,0]=3 3813 B15R2.7688 C[C@@H](O)COc1ccc2sccc2c1 7a_100012180905_100009817552 [0,0,0,0,1,0|2,0,0]=3 3814 B15R2.7688 C[C@@H](O)COc1ccc2scnc2c1 34a_200009850626_100009817552 [0,0,0,0,1,0|3,0,0]=4 3815 B15R2.7688 C[C@@H](O)COc1ccc2scnc2c1 7a_200009850626_100009817552 [0,0,0,0,1,0|3,0,0]=4 3816 B15R2.7688 C[C@@H](O)COc1ccn2ccnc2c1 34a_100009863278_100009817552 [0,0,0,0,1,0|3,0,0]=4 3817 B15R2.7688 C[C@@H](O)COc1cnc2[nH]ccc2c1 34a_100000087691_100009817552 [0,0,0,0,1,0|3,0,0]=4 3818 B15R2.7688 C[C@@H](O)CSc1ccc2[nH]ccc2c1 62a_100009817552_100000035808 [0,0,0,0,1,0|2,1,0]=4 3819 B15R2.7688 C[C@@H](O)CSc1ccc2c(c1)C=CC2 62a_100009814306_100009817552 [0,0,0,0,1,0|1,1,1]=4 3820 B15R2.7688 C[C@@H](O)CSc1ccc2c(c1)C=CC2 62a_100009817552_100009814306 [0,0,0,0,1,0|1,1,1]=4 3821 B15R2.7688 C[C@@H](O)CSc1ccc2c(c1)CC=C2 62a_100009817552_200009818231 [0,0,0,0,1,0|1,1,1]=4 3822 B15R2.7688 C[C@@H](O)CSc1ccc2c(c1)CC=C2 62a_200009818231_100009817552 [0,0,0,0,1,0|1,1,1]=4 3823 B15R2.7688 C[C@@H](O)CSc1ccc2cc[nH]c2c1 62a_100009817552_100000743809 [0,0,0,0,1,0|2,1,0]=4 3824 B15R2.7688 C[C@@H](O)CSc1ccc2ccoc2c1 62a_100009817552_100000759542 [0,0,0,0,1,0|2,1,0]=4 3825 B15R2.7688 C[C@@H](O)CSc1ccc2ccsc2c1 62a_100009817552_100009888917 [0,0,0,0,1,0|2,1,0]=4 3826 B15R2.7688 C[C@@H](O)CSc1ccc2cscc2c1 62a_100009817552_200010760811 [0,0,0,0,1,0|2,1,0]=4 3827 B15R2.7688 C[C@@H](O)CSc1ccc2occc2c1 62a_100009817552_100000691453 [0,0,0,0,1,0|2,1,0]=4 3828 B15R2.7688 C[C@@H](O)CSc1ccc2sccc2c1 62a_100009817552_100009814439 [0,0,0,0,1,0|2,1,0]=4 3829 B15R2.7688 FC(F)COc1ccc2[nH]ccc2c1 34a_100000756620_100011934356 [0,0,0,0,1,0|3,0,0]=4 3830 B15R2.7688 FC(F)COc1ccc2cc[nH]c2c1 34a_100000036713_100011934356 [0,0,0,0,1,0|3,0,0]=4 3831 B15R2.7688 FC(F)COc1ccc2ccoc2c1 34a_100000089557_100011934356 [0,0,0,0,1,0|3,0,0]=4 3832 B15R2.7688 FC(F)COc1ccc2ccoc2c1 7a_100000089557_100011934356 [0,0,0,0,1,0|3,0,0]=4 3833 B15R2.7688 FC(F)COc1ccc2occc2c1 34a_100000070125_100011934356 [0,0,0,0,1,0|3,0,0]=4 3834 B15R2.7688 FC(F)COc1ccc2occc2c1 7a_100000070125_100011934356 [0,0,0,0,1,0|3,0,0]=4 3835 B15R2.7688 FC(F)COc1ccc2sccc2c1 34a_100012180905_100011934356 [0,0,0,0,1,0|3,0,0]=4 3836 B15R2.7688 FC(F)COc1ccc2sccc2c1 7a_100012180905_100011934356 [0,0,0,0,1,0|3,0,0]=4 3837 B17R2.5669 C=C(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000730704 [0,0,0,0,0,1|1,0,2]=4 3838 B17R2.5669 C=C(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000730704 [0,0,0,0,0,1|1,0,2]=4 3839 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000730704 [0,0,0,0,0,1|0,0,2]=3 3840 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000730704 [0,0,0,0,0,1|0,0,2]=3 3841 B17R2.5669 C=C(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000730704 [0,0,0,0,0,1|1,0,2]=4 3842 B17R2.5669 C=C(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000730704 [0,0,0,0,0,1|1,0,2]=4 3843 B17R2.5669 C=C(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000730704 [0,0,0,0,0,1|1,0,2]=4 3844 B17R2.5669 C=C(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000730704 [0,0,0,0,0,1|1,0,2]=4 3845 B17R2.5669 C=C(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000730704 [0,0,0,0,0,1|1,0,2]=4 3846 B17R2.5669 C=C(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000730704 [0,0,0,0,0,1|1,0,2]=4 3847 B17R2.5669 C=C(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000730704 [0,0,0,0,0,1|1,0,2]=4 3848 B17R2.5669 C=C(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000730704 [0,0,0,0,0,1|1,0,2]=4 3849 B17R2.5669 C=C(C)CCSc1ccc2ccccc2c1 62a_100000730704_100000233703 [0,0,0,0,0,1|0,1,2]=4 3850 B17R2.5669 C=C(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000748629 [0,0,0,0,0,1|1,0,2]=4 3851 B17R2.5669 C=C(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000748629 [0,0,0,0,0,1|1,0,2]=4 3852 B17R2.5669 C=C(C)COCc1cc2ccccc2cn1 34a_100000210245_100009869231 [0,0,0,0,0,1|1,0,2]=4 3853 B17R2.5669 C=C(C)COCc1ccc2ccccc2c1 34a_100000210245_100011216711 [0,0,0,0,0,1|0,0,2]=3 3854 B17R2.5669 C=C(C)COCc1ccc2ccccc2c1 34a_100011215330_100000748629 [0,0,0,0,0,1|0,0,2]=3 3855 B17R2.5669 C=C(C)COCc1ccc2ccccc2c1 7a_100011215330_100000748629 [0,0,0,0,0,1|0,0,2]=3 3856 B17R2.5669 C=C(C)COCc1ccc2ccccc2n1 34a_100000210245_100000737579 [0,0,0,0,0,1|1,0,2]=4 3857 B17R2.5669 C=C(C)COCc1ccc2cnccc2c1 34a_100000210245_100020605334 [0,0,0,0,0,1|1,0,2]=4 3858 B17R2.5669 C=C(C)COCc1ccc2ncccc2c1 34a_100000210245_100000703657 [0,0,0,0,0,1|1,0,2]=4 3859 B17R2.5669 C=C(C)COCc1ccc2ncccc2c1 34a_100011315636_100000748629 [0,0,0,0,0,1|1,0,2]=4 3860 B17R2.5669 C=C(C)COCc1cnc2ccccc2c1 34a_100011258773_100000748629 [0,0,0,0,0,1|1,0,2]=4 3861 B17R2.5669 C=C(C)CSCc1ccc2ccccc2c1 62a_100000748629_100011216711 [0,0,0,0,0,1|0,1,2]=4 3862 B17R2.5669 C=C(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000211660 [0,0,0,0,0,1|0,1,2]=4 3863 B17R2.5669 C=C(F)COCc1ccc2ccccc2c1 34a_100011215330_100009893438 [0,0,0,0,0,1|1,0,2]=4 3864 B17R2.5669 C=C(F)COCc1ccc2ccccc2c1 34a_200010262243_100011216711 [0,0,0,0,0,1|1,0,2]=4 3865 B17R2.5669 C=C(F)COCc1ccc2ccccc2c1 7a_100011215330_100000042424 [0,0,0,0,0,1|1,0,2]=4 3866 B17R2.5669 CC(=CCNc1ccc2ccccc2c1)C 34a_100000211940_100000761012 [0,0,0,0,0,1|1,0,1]=3 3867 B17R2.5669 CC(=CCNc1ccc2ccccc2c1)C 7a_100000211940_100000761012 [0,0,0,0,0,1|1,0,1]=3 3868 B17R2.5669 CC(=CCNc1ccc2ccccc2n1)C 27a_100000718196_100011291633 [0,0,0,0,0,1|2,0,1]=4 3869 B17R2.5669 CC(=CCNc1ccc2cccnc2c1)C 34a_100102887122_100000761012 [0,0,0,0,0,1|2,0,1]=4 3870 B17R2.5669 CC(=CCNc1ccc2cnccc2c1)C 34a_100000039641_100000761012 [0,0,0,0,0,1|2,0,1]=4 3871 B17R2.5669 CC(=CCNc1ccc2ncccc2c1)C 34a_100011198106_100000761012 [0,0,0,0,0,1|2,0,1]=4 3872 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 34a_100000185828_100000761012 [0,0,0,0,0,1|0,0,1]=2 3873 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 7a_100000185828_100000761012 [0,0,0,0,0,1|0,0,1]=2 3874 B17R2.5669 CC(=CCOc1ccc2cccnc2c1)C 34a_100011216045_100000761012 [0,0,0,0,0,1|1,0,1]=3 3875 B17R2.5669 CC(=CCOc1ccc2ccncc2c1)C 7a_100000752006_100000761012 [0,0,0,0,0,1|1,0,1]=3 3876 B17R2.5669 CC(=CCOc1ccc2cnccc2c1)C 34a_100000046372_100000761012 [0,0,0,0,0,1|1,0,1]=3 3877 B17R2.5669 CC(=CCOc1ccc2cnccc2c1)C 7a_100000046372_100000761012 [0,0,0,0,0,1|1,0,1]=3 3878 B17R2.5669 CC(=CCOc1ccc2ncccc2c1)C 34a_100011215586_100000761012 [0,0,0,0,0,1|1,0,1]=3 3879 B17R2.5669 CC(=CCOc1ccc2ncccc2c1)C 7a_100011215586_100000761012 [0,0,0,0,0,1|1,0,1]=3 3880 B17R2.5669 CC(=CCOc1ccc2nccnc2c1)C 34a_100000694412_100000761012 [0,0,0,0,0,1|2,0,1]=4 3881 B17R2.5669 CC(=CCOc1cnc2ccccc2c1)C 34a_100011934006_100000761012 [0,0,0,0,0,1|1,0,1]=3 3882 B17R2.5669 CC(=CCOc1cnc2ccccc2c1)C 7a_100011934006_100000761012 [0,0,0,0,0,1|1,0,1]=3 3883 B17R2.5669 CC(=CCSc1cc2ccccc2cn1)C 62a_100000761012_100000047361 [0,0,0,0,0,1|1,1,1]=4 3884 B17R2.5669 CC(=CCSc1cc2ccccc2cn1)C 62a_100009816522_100000761012 [0,0,0,0,0,1|1,1,1]=4 3885 B17R2.5669 CC(=CCSc1ccc2ccccc2c1)C 62a_100000761012_100000233703 [0,0,0,0,0,1|0,1,1]=3 3886 B17R2.5669 CC(=CCSc1ccc2ccccc2n1)C 62a_100000761012_100011291633 [0,0,0,0,0,1|1,1,1]=4 3887 B17R2.5669 CC(=CCSc1ccc2ccccc2n1)C 62a_100011291633_100000761012 [0,0,0,0,0,1|1,1,1]=4 3888 B17R2.5669 CC(=CCSc1ccc2cccnc2c1)C 62a_100000761012_100009816655 [0,0,0,0,0,1|1,1,1]=4 3889 B17R2.5669 CC(=CCSc1ccc2ccncc2c1)C 62a_100000686496_100000761012 [0,0,0,0,0,1|1,1,1]=4 3890 B17R2.5669 CC(=CCSc1ccc2ccncc2c1)C 62a_100000761012_100000686496 [0,0,0,0,0,1|1,1,1]=4 3891 B17R2.5669 CC(=CCSc1ccc2cnccc2c1)C 62a_100000761012_100009816743 [0,0,0,0,0,1|1,1,1]=4 3892 B17R2.5669 CC(=CCSc1ccc2cnccc2c1)C 62a_100009816743_100000761012 [0,0,0,0,0,1|1,1,1]=4 3893 B17R2.5669 CC(=CCSc1ccc2ncccc2c1)C 62a_100000761012_100011215947 [0,0,0,0,0,1|1,1,1]=4 3894 B17R2.5669 CC(=CCSc1ccc2ncccc2c1)C 62a_100011215947_100000761012 [0,0,0,0,0,1|1,1,1]=4 3895 B17R2.5669 CC(=CCSc1cnc2ccccc2c1)C 62a_100000761012_100000737414 [0,0,0,0,0,1|1,1,1]=4 3896 B17R2.5669 CC(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200000210301 [0,0,0,0,0,1|2,0,1]=4 3897 B17R2.5669 CC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000053229 [0,0,0,0,0,1|2,0,1]=4 3898 B17R2.5669 CC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000053229 [0,0,0,0,0,1|1,0,1]=3 3899 B17R2.5669 CC(=O)CCOc1ccc2ccncc2c1 7a_100000752006_100000053229 [0,0,0,0,0,1|2,0,1]=4 3900 B17R2.5669 CC(=O)CCOc1ccc2cnccc2c1 7a_100000046372_100000053229 [0,0,0,0,0,1|2,0,1]=4 3901 B17R2.5669 CC(=O)CCOc1ccc2ncccc2c1 7a_100011215586_100000053229 [0,0,0,0,0,1|2,0,1]=4 3902 B17R2.5669 CC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000053229 [0,0,0,0,0,1|2,0,1]=4 3903 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200000210301 [0,0,0,0,0,1|1,1,1]=4 3904 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 62a_100000053229_100000233703 [0,0,0,0,0,1|1,1,1]=4 3905 B17R2.5669 CC(=O)COCc1cc2ccccc2cn1 34a_100000211253_100009869231 [0,0,0,0,0,1|2,0,1]=4 3906 B17R2.5669 CC(=O)COCc1ccc2ccccc2c1 34a_100000211253_100011216711 [0,0,0,0,0,1|1,0,1]=3 3907 B17R2.5669 CC(=O)COCc1ccc2ccccc2n1 34a_100000211253_100000737579 [0,0,0,0,0,1|2,0,1]=4 3908 B17R2.5669 CC(=O)COCc1ccc2cnccc2c1 34a_100000211253_100020605334 [0,0,0,0,0,1|2,0,1]=4 3909 B17R2.5669 CC(=O)COCc1ccc2ncccc2c1 34a_100000211253_100000703657 [0,0,0,0,0,1|2,0,1]=4 3910 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 11a_100000746582_100015343762 [0,0,0,0,0,1|2,0,1]=4 3911 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 1626a_100000746582_100015343762 [0,0,0,0,0,1|2,0,1]=4 3912 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 240690a_100000746582_100015343762 [0,0,0,0,0,1|2,0,1]=4 3913 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 527a_100000746582_100103153847 [0,0,0,0,0,1|2,0,1]=4 3914 B17R2.5669 CC(=O)OCNc1ccc2ccccc2c1 34a_100000211940_100009813279 [0,0,0,0,0,1|2,0,1]=4 3915 B17R2.5669 CC(=O)OCOc1ccc2ccccc2c1 34a_100000185828_100009813279 [0,0,0,0,0,1|1,0,1]=3 3916 B17R2.5669 CC(=O)OCOc1ccc2cccnc2c1 34a_100011216045_100009813279 [0,0,0,0,0,1|2,0,1]=4 3917 B17R2.5669 CC(=O)OCOc1ccc2cnccc2c1 34a_100000046372_100009813279 [0,0,0,0,0,1|2,0,1]=4 3918 B17R2.5669 CC(=O)OCOc1ccc2ncccc2c1 34a_100011215586_100009813279 [0,0,0,0,0,1|2,0,1]=4 3919 B17R2.5669 CC(=O)OCOc1cnc2ccccc2c1 34a_100011934006_100009813279 [0,0,0,0,0,1|2,0,1]=4 3920 B17R2.5669 CC(=O)OCSc1ccc2ccccc2c1 62a_100000076356_100000233703 [0,0,0,0,0,1|1,1,1]=4 3921 B17R2.5669 CC(Br)COCc1cc2ccccc2cn1 34a_100012180447_100009869231 [0,0,0,0,0,1|2,0,0]=3 3922 B17R2.5669 CC(Br)COCc1ccc2ccccc2c1 34a_100012180447_100011216711 [0,0,0,0,0,1|1,0,0]=2 3923 B17R2.5669 CC(Br)COCc1ccc2ccccc2n1 34a_100012180447_100000737579 [0,0,0,0,0,1|2,0,0]=3 3924 B17R2.5669 CC(Br)COCc1ccc2cnccc2c1 34a_100012180447_100020605334 [0,0,0,0,0,1|2,0,0]=3 3925 B17R2.5669 CC(Br)COCc1ccc2ncccc2c1 34a_100012180447_100000703657 [0,0,0,0,0,1|2,0,0]=3 3926 B17R2.5669 CC(Br)COCc1ncc2ccccc2n1 34a_100012180447_100009868571 [0,0,0,0,0,1|3,0,0]=4 3927 B17R2.5669 CC(C)C=NNc1ccc2ccccc2c1 4a_100016987534_100000210432 [0,0,0,0,0,1|1,0,1]=3 3928 B17R2.5669 CC(C)C=NNc1ccc2ccccc2n1 4a_100000212036_100000210432 [0,0,0,0,0,1|2,0,1]=4 3929 B17R2.5669 CC(C)C=NNc1ccc2cccnc2c1 4a_200016991157_100000210432 [0,0,0,0,0,1|2,0,1]=4 3930 B17R2.5669 CC(C)C=NNc1ccc2ncccc2c1 4a_100025741853_100000210432 [0,0,0,0,0,1|2,0,1]=4 3931 B17R2.5669 CC(C)CC=Cc1cc2ccccc2cn1 271570a_100016259101_100000047361 [0,0,0,0,0,1|2,0,0]=3 3932 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2c1 271570a_100016259101_100000233703 [0,0,0,0,0,1|1,0,0]=2 3933 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2n1 271570a_100016259101_100011291633 [0,0,0,0,0,1|2,0,0]=3 3934 B17R2.5669 CC(C)CC=Cc1ccc2cccnc2c1 271570a_100016259101_100009816655 [0,0,0,0,0,1|2,0,0]=3 3935 B17R2.5669 CC(C)CC=Cc1ccc2cccnc2n1 271570a_100016259101_100009888989 [0,0,0,0,0,1|3,0,0]=4 3936 B17R2.5669 CC(C)CC=Cc1ccc2ccncc2c1 271570a_100016259101_100000686496 [0,0,0,0,0,1|2,0,0]=3 3937 B17R2.5669 CC(C)CC=Cc1ccc2ccncc2n1 271570a_100016259101_100000020162 [0,0,0,0,0,1|3,0,0]=4 3938 B17R2.5669 CC(C)CC=Cc1ccc2cnccc2c1 271570a_100016259101_100009816743 [0,0,0,0,0,1|2,0,0]=3 3939 B17R2.5669 CC(C)CC=Cc1ccc2cncnc2c1 271570a_100016259101_100010185614 [0,0,0,0,0,1|3,0,0]=4 3940 B17R2.5669 CC(C)CC=Cc1ccc2cnncc2c1 271570a_100016259101_100010198781 [0,0,0,0,0,1|3,0,0]=4 3941 B17R2.5669 CC(C)CC=Cc1ccc2ncccc2c1 271570a_100016259101_100000754243 [0,0,0,0,0,1|2,0,0]=3 3942 B17R2.5669 CC(C)CC=Cc1ccc2ncccc2n1 271570a_100016259101_100000073381 [0,0,0,0,0,1|3,0,0]=4 3943 B17R2.5669 CC(C)CC=Cc1ccc2nccnc2c1 271570a_100016259101_100011219451 [0,0,0,0,0,1|3,0,0]=4 3944 B17R2.5669 CC(C)CC=Cc1ccc2ncncc2c1 271570a_100016259101_100009989443 [0,0,0,0,0,1|3,0,0]=4 3945 B17R2.5669 CC(C)CC=Cc1ccc2nnccc2c1 271570a_100016259101_100010209549 [0,0,0,0,0,1|3,0,0]=4 3946 B17R2.5669 CC(C)CC=Cc1cnc2ccccc2c1 271570a_100016259101_100000737414 [0,0,0,0,0,1|2,0,0]=3 3947 B17R2.5669 CC(C)CC=Cc1cnc2ccccc2n1 271570a_100016259101_100000756483 [0,0,0,0,0,1|3,0,0]=4 3948 B17R2.5669 CC(C)CC=Cc1cnc2cccnc2c1 271570a_100016259101_100010246316 [0,0,0,0,0,1|3,0,0]=4 3949 B17R2.5669 CC(C)CC=Cc1ncc2ccccc2n1 271570a_100016259101_100000097389 [0,0,0,0,0,1|3,0,0]=4 3950 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000210312 [0,0,0,0,0,1|1,0,0]=2 3951 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000210626 [0,0,0,0,0,1|1,0,0]=2 3952 B17R2.5669 CC(C)CCNc1ccc2ccccc2n1 27a_100000210545_100011291633 [0,0,0,0,0,1|2,0,0]=3 3953 B17R2.5669 CC(C)CCNc1ccc2cccnc2c1 34a_100102887122_100000210312 [0,0,0,0,0,1|2,0,0]=3 3954 B17R2.5669 CC(C)CCNc1ccc2cccnc2n1 27a_100000210545_100000075685 [0,0,0,0,0,1|3,0,0]=4 3955 B17R2.5669 CC(C)CCNc1ccc2ccncc2n1 27a_100000210545_100000020162 [0,0,0,0,0,1|3,0,0]=4 3956 B17R2.5669 CC(C)CCNc1ccc2cnccc2c1 34a_100000039641_100000210312 [0,0,0,0,0,1|2,0,0]=3 3957 B17R2.5669 CC(C)CCNc1ccc2cncnc2c1 27a_100000210545_100010185614 [0,0,0,0,0,1|3,0,0]=4 3958 B17R2.5669 CC(C)CCNc1ccc2ncccc2c1 34a_100011198106_100000210312 [0,0,0,0,0,1|2,0,0]=3 3959 B17R2.5669 CC(C)CCNc1ccc2ncccc2n1 27a_100000210545_100000073381 [0,0,0,0,0,1|3,0,0]=4 3960 B17R2.5669 CC(C)CCNc1ccc2nccnc2c1 27a_100000210545_100011219451 [0,0,0,0,0,1|3,0,0]=4 3961 B17R2.5669 CC(C)CCNc1ccc2nccnc2c1 34a_100011219565_100000210312 [0,0,0,0,0,1|3,0,0]=4 3962 B17R2.5669 CC(C)CCNc1cnc2ccccc2n1 27a_100000210545_100000756483 [0,0,0,0,0,1|3,0,0]=4 3963 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 27a_100000210545_100000097389 [0,0,0,0,0,1|3,0,0]=4 3964 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000210312 [0,0,0,0,0,1|0,0,0]=1 3965 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000210626 [0,0,0,0,0,1|0,0,0]=1 3966 B17R2.5669 CC(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000210312 [0,0,0,0,0,1|1,0,0]=2 3967 B17R2.5669 CC(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000210626 [0,0,0,0,0,1|1,0,0]=2 3968 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000210312 [0,0,0,0,0,1|1,0,0]=2 3969 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000210626 [0,0,0,0,0,1|1,0,0]=2 3970 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000210312 [0,0,0,0,0,1|1,0,0]=2 3971 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000210626 [0,0,0,0,0,1|1,0,0]=2 3972 B17R2.5669 CC(C)CCOc1ccc2nccnc2c1 34a_100000694412_100000210312 [0,0,0,0,0,1|2,0,0]=3 3973 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000210312 [0,0,0,0,0,1|1,0,0]=2 3974 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000210626 [0,0,0,0,0,1|1,0,0]=2 3975 B17R2.5669 CC(C)CCSc1cc2ccccc2cn1 62a_100000210312_100000047361 [0,0,0,0,0,1|1,1,0]=3 3976 B17R2.5669 CC(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000210312 [0,0,0,0,0,1|1,1,0]=3 3977 B17R2.5669 CC(C)CCSc1ccc2ccccc2c1 62a_100000210312_100000233703 [0,0,0,0,0,1|0,1,0]=2 3978 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100000210312_100011291633 [0,0,0,0,0,1|1,1,0]=3 3979 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000210312 [0,0,0,0,0,1|1,1,0]=3 3980 B17R2.5669 CC(C)CCSc1ccc2cccnc2c1 62a_100000210312_100009816655 [0,0,0,0,0,1|1,1,0]=3 3981 B17R2.5669 CC(C)CCSc1ccc2cccnc2n1 62a_100000075685_100000210312 [0,0,0,0,0,1|2,1,0]=4 3982 B17R2.5669 CC(C)CCSc1ccc2cccnc2n1 62a_100000210312_100000075685 [0,0,0,0,0,1|2,1,0]=4 3983 B17R2.5669 CC(C)CCSc1ccc2ccncc2c1 62a_100000210312_100000686496 [0,0,0,0,0,1|1,1,0]=3 3984 B17R2.5669 CC(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000210312 [0,0,0,0,0,1|1,1,0]=3 3985 B17R2.5669 CC(C)CCSc1ccc2ccncc2n1 62a_100000210312_100000020162 [0,0,0,0,0,1|2,1,0]=4 3986 B17R2.5669 CC(C)CCSc1ccc2cnccc2c1 62a_100000210312_100009816743 [0,0,0,0,0,1|1,1,0]=3 3987 B17R2.5669 CC(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000210312 [0,0,0,0,0,1|1,1,0]=3 3988 B17R2.5669 CC(C)CCSc1ccc2cncnc2c1 62a_100000210312_100010185614 [0,0,0,0,0,1|2,1,0]=4 3989 B17R2.5669 CC(C)CCSc1ccc2cncnc2c1 62a_100010185614_100000210312 [0,0,0,0,0,1|2,1,0]=4 3990 B17R2.5669 CC(C)CCSc1ccc2cnncc2c1 62a_100000210312_100010198781 [0,0,0,0,0,1|2,1,0]=4 3991 B17R2.5669 CC(C)CCSc1ccc2cnncc2c1 62a_100010198781_100000210312 [0,0,0,0,0,1|2,1,0]=4 3992 B17R2.5669 CC(C)CCSc1ccc2ncccc2c1 62a_100000210312_100011215947 [0,0,0,0,0,1|1,1,0]=3 3993 B17R2.5669 CC(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000210312 [0,0,0,0,0,1|1,1,0]=3 3994 B17R2.5669 CC(C)CCSc1ccc2ncccc2n1 62a_100000210312_100000073381 [0,0,0,0,0,1|2,1,0]=4 3995 B17R2.5669 CC(C)CCSc1ccc2nccnc2c1 62a_100000210312_100011219451 [0,0,0,0,0,1|2,1,0]=4 3996 B17R2.5669 CC(C)CCSc1ccc2nccnc2c1 62a_100011219451_100000210312 [0,0,0,0,0,1|2,1,0]=4 3997 B17R2.5669 CC(C)CCSc1ccc2ncncc2c1 62a_100000210312_100009989443 [0,0,0,0,0,1|2,1,0]=4 3998 B17R2.5669 CC(C)CCSc1ccc2ncncc2c1 62a_100009989443_100000210312 [0,0,0,0,0,1|2,1,0]=4 3999 B17R2.5669 CC(C)CCSc1ccc2nnccc2c1 62a_100000210312_100010209549 [0,0,0,0,0,1|2,1,0]=4 4000 B17R2.5669 CC(C)CCSc1ccc2nnccc2c1 62a_100010209549_100000210312 [0,0,0,0,0,1|2,1,0]=4 4001 B17R2.5669 CC(C)CCSc1cnc2ccccc2c1 62a_100000210312_100000737414 [0,0,0,0,0,1|1,1,0]=3 4002 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000210312_100000756483 [0,0,0,0,0,1|2,1,0]=4 4003 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000756483_100000210312 [0,0,0,0,0,1|2,1,0]=4 4004 B17R2.5669 CC(C)CCSc1cnc2cccnc2c1 62a_100000210312_100010246316 [0,0,0,0,0,1|2,1,0]=4 4005 B17R2.5669 CC(C)CCSc1cnc2cccnc2c1 62a_100010246316_100000210312 [0,0,0,0,0,1|2,1,0]=4 4006 B17R2.5669 CC(C)CCSc1ncc2ccccc2n1 62a_100000210312_100000097389 [0,0,0,0,0,1|2,1,0]=4 4007 B17R2.5669 CC(C)CNCC1=Cc2ccccc2OC1 270004a_100000210953_100000013085 [0,0,0,0,0,1|2,0,1]=4 4008 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 207a_100000210953_100000059776 [0,0,0,0,0,1|2,0,0]=3 4009 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 2230a_100000210953_100009869231 [0,0,0,0,0,1|2,0,0]=3 4010 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 270004a_100000210953_100000059776 [0,0,0,0,0,1|2,0,0]=3 4011 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 34a_100000210953_100009869231 [0,0,0,0,0,1|2,0,0]=3 4012 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 207a_100000210953_100000211584 [0,0,0,0,0,1|1,0,0]=2 4013 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000210953_100011216711 [0,0,0,0,0,1|1,0,0]=2 4014 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000210760 [0,0,0,0,0,1|1,0,0]=2 4015 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000210953_100000211584 [0,0,0,0,0,1|1,0,0]=2 4016 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000210432 [0,0,0,0,0,1|1,0,0]=2 4017 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000210953_100011216711 [0,0,0,0,0,1|1,0,0]=2 4018 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000210624 [0,0,0,0,0,1|1,0,0]=2 4019 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 207a_100000210953_100000759686 [0,0,0,0,0,1|2,0,0]=3 4020 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 2230a_100000210953_100000737579 [0,0,0,0,0,1|2,0,0]=3 4021 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 270004a_100000210953_100000759686 [0,0,0,0,0,1|2,0,0]=3 4022 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 34a_100000210953_100000737579 [0,0,0,0,0,1|2,0,0]=3 4023 B17R2.5669 CC(C)CNCc1ccc2cccnc2c1 207a_100000210953_100011784159 [0,0,0,0,0,1|2,0,0]=3 4024 B17R2.5669 CC(C)CNCc1ccc2cccnc2c1 270004a_100000210953_100011784159 [0,0,0,0,0,1|2,0,0]=3 4025 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 207a_100000210953_100000068276 [0,0,0,0,0,1|2,0,0]=3 4026 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 2230a_100000210953_100020605334 [0,0,0,0,0,1|2,0,0]=3 4027 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 270004a_100000210953_100000068276 [0,0,0,0,0,1|2,0,0]=3 4028 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 34a_100000210953_100020605334 [0,0,0,0,0,1|2,0,0]=3 4029 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 207a_100000210953_100000211315 [0,0,0,0,0,1|2,0,0]=3 4030 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 2230a_100000210953_100000703657 [0,0,0,0,0,1|2,0,0]=3 4031 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 270004a_100000210953_100000211315 [0,0,0,0,0,1|2,0,0]=3 4032 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 270004a_100000238500_100000210432 [0,0,0,0,0,1|2,0,0]=3 4033 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 34a_100000210953_100000703657 [0,0,0,0,0,1|2,0,0]=3 4034 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 34a_100000238500_100000210624 [0,0,0,0,0,1|2,0,0]=3 4035 B17R2.5669 CC(C)CNCc1ccc2nccnc2c1 2230a_100000210953_200011762199 [0,0,0,0,0,1|3,0,0]=4 4036 B17R2.5669 CC(C)CNCc1ccc2nccnc2c1 270004a_100000210953_100000239887 [0,0,0,0,0,1|3,0,0]=4 4037 B17R2.5669 CC(C)CNCc1ccc2nccnc2c1 270004a_106354213004_100000210432 [0,0,0,0,0,1|3,0,0]=4 4038 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 207a_100000210953_100000750898 [0,0,0,0,0,1|2,0,0]=3 4039 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 270004a_100000210953_100000750898 [0,0,0,0,0,1|2,0,0]=3 4040 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 270004a_100000742225_100000210432 [0,0,0,0,0,1|2,0,0]=3 4041 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 34a_100000742225_100000210624 [0,0,0,0,0,1|2,0,0]=3 4042 B17R2.5669 CC(C)CNCc1cnc2ccccc2n1 270004a_100000210953_100000204677 [0,0,0,0,0,1|3,0,0]=4 4043 B17R2.5669 CC(C)CNCc1ncc2ccccc2n1 34a_100000210953_100009868571 [0,0,0,0,0,1|3,0,0]=4 4044 B17R2.5669 CC(C)COCc1cc2ccccc2cn1 34a_100000210257_100009869231 [0,0,0,0,0,1|1,0,0]=2 4045 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100000210257_100011216711 [0,0,0,0,0,1|0,0,0]=1 4046 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000210624 [0,0,0,0,0,1|0,0,0]=1 4047 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000210760 [0,0,0,0,0,1|0,0,0]=1 4048 B17R2.5669 CC(C)COCc1ccc2ccccc2n1 34a_100000210257_100000737579 [0,0,0,0,0,1|1,0,0]=2 4049 B17R2.5669 CC(C)COCc1ccc2cnccc2c1 34a_100000210257_100020605334 [0,0,0,0,0,1|1,0,0]=2 4050 B17R2.5669 CC(C)COCc1ccc2ncccc2c1 34a_100000210257_100000703657 [0,0,0,0,0,1|1,0,0]=2 4051 B17R2.5669 CC(C)COCc1ccc2ncccc2c1 34a_100011315636_100000210624 [0,0,0,0,0,1|1,0,0]=2 4052 B17R2.5669 CC(C)COCc1cnc2ccccc2c1 34a_100011258773_100000210624 [0,0,0,0,0,1|1,0,0]=2 4053 B17R2.5669 CC(C)COCc1ncc2ccccc2n1 34a_100000210257_100009868571 [0,0,0,0,0,1|2,0,0]=3 4054 B17R2.5669 CC(C)CSCc1cc2ccccc2cn1 62a_100000210624_100009869231 [0,0,0,0,0,1|1,1,0]=3 4055 B17R2.5669 CC(C)CSCc1cc2ccccc2cn1 62a_100009869231_100000210760 [0,0,0,0,0,1|1,1,0]=3 4056 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100000210624_100011216711 [0,0,0,0,0,1|0,1,0]=2 4057 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000210760 [0,0,0,0,0,1|0,1,0]=2 4058 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000210624_100000737579 [0,0,0,0,0,1|1,1,0]=3 4059 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000210760 [0,0,0,0,0,1|1,1,0]=3 4060 B17R2.5669 CC(C)CSCc1ccc2cnccc2c1 62a_100000210624_100020605334 [0,0,0,0,0,1|1,1,0]=3 4061 B17R2.5669 CC(C)CSCc1ccc2cnccc2c1 62a_100020605334_100000210760 [0,0,0,0,0,1|1,1,0]=3 4062 B17R2.5669 CC(C)CSCc1ccc2ncccc2c1 62a_100000210624_100000703657 [0,0,0,0,0,1|1,1,0]=3 4063 B17R2.5669 CC(C)CSCc1ccc2ncccc2c1 62a_100000703657_100000210760 [0,0,0,0,0,1|1,1,0]=3 4064 B17R2.5669 CC(C)CSCc1ccc2nccnc2c1 62a_100000210624_200011762199 [0,0,0,0,0,1|2,1,0]=4 4065 B17R2.5669 CC(C)CSCc1ccc2nccnc2c1 62a_200011762199_100000210760 [0,0,0,0,0,1|2,1,0]=4 4066 B17R2.5669 CC(C)CSCc1cnc2ccccc2n1 62a_100000210624_200000751123 [0,0,0,0,0,1|2,1,0]=4 4067 B17R2.5669 CC(C)CSCc1cnc2ccccc2n1 62a_200000751123_100000210760 [0,0,0,0,0,1|2,1,0]=4 4068 B17R2.5669 CC(C)CSCc1ncc2ccccc2n1 62a_100000210624_100009868571 [0,0,0,0,0,1|2,1,0]=4 4069 B17R2.5669 CC(C)CSCc1ncc2ccccc2n1 62a_100009868571_100000210760 [0,0,0,0,0,1|2,1,0]=4 4070 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000210206 [0,0,0,0,0,1|1,0,0]=2 4071 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210206 [0,0,0,0,0,1|1,0,0]=2 4072 B17R2.5669 CC(C)NN=Cc1cc2ccccc2cn1 4a_100000741168_100000059776 [0,0,0,0,0,1|3,0,0]=4 4073 B17R2.5669 CC(C)NN=Cc1ccc2ccccc2c1 4a_100000741168_100000211584 [0,0,0,0,0,1|2,0,0]=3 4074 B17R2.5669 CC(C)NN=Cc1ccc2ccccc2n1 4a_100000741168_100000759686 [0,0,0,0,0,1|3,0,0]=4 4075 B17R2.5669 CC(C)NN=Cc1ccc2cccnc2c1 4a_100000741168_100011784159 [0,0,0,0,0,1|3,0,0]=4 4076 B17R2.5669 CC(C)NN=Cc1ccc2cnccc2c1 4a_100000741168_100000068276 [0,0,0,0,0,1|3,0,0]=4 4077 B17R2.5669 CC(C)NN=Cc1ccc2ncccc2c1 4a_100000741168_100000211315 [0,0,0,0,0,1|3,0,0]=4 4078 B17R2.5669 CC(C)NN=Cc1cnc2ccccc2c1 4a_100000741168_100000750898 [0,0,0,0,0,1|3,0,0]=4 4079 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210206 [0,0,0,0,0,1|1,0,0]=2 4080 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000210206 [0,0,0,0,0,1|1,0,0]=2 4081 B17R2.5669 CC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100000210206 [0,0,0,0,0,1|2,0,0]=3 4082 B17R2.5669 CC(C)OCNc1ccc2ccccc2c1 34a_100000211940_100000709892 [0,0,0,0,0,1|1,0,0]=2 4083 B17R2.5669 CC(C)OCNc1ccc2cccnc2c1 34a_100102887122_100000709892 [0,0,0,0,0,1|2,0,0]=3 4084 B17R2.5669 CC(C)OCNc1ccc2cnccc2c1 34a_100000039641_100000709892 [0,0,0,0,0,1|2,0,0]=3 4085 B17R2.5669 CC(C)OCNc1ccc2ncccc2c1 34a_100011198106_100000709892 [0,0,0,0,0,1|2,0,0]=3 4086 B17R2.5669 CC(C)OCNc1ccc2nccnc2c1 34a_100011219565_100000709892 [0,0,0,0,0,1|3,0,0]=4 4087 B17R2.5669 CC(C)OCOc1ccc2ccccc2c1 34a_100000185828_100000709892 [0,0,0,0,0,1|0,0,0]=1 4088 B17R2.5669 CC(C)OCOc1ccc2cccnc2c1 34a_100011216045_100000709892 [0,0,0,0,0,1|1,0,0]=2 4089 B17R2.5669 CC(C)OCOc1ccc2cnccc2c1 34a_100000046372_100000709892 [0,0,0,0,0,1|1,0,0]=2 4090 B17R2.5669 CC(C)OCOc1ccc2ncccc2c1 34a_100011215586_100000709892 [0,0,0,0,0,1|1,0,0]=2 4091 B17R2.5669 CC(C)OCOc1ccc2nccnc2c1 34a_100000694412_100000709892 [0,0,0,0,0,1|2,0,0]=3 4092 B17R2.5669 CC(C)OCOc1cnc2ccccc2c1 34a_100011934006_100000709892 [0,0,0,0,0,1|1,0,0]=2 4093 B17R2.5669 CC(C)OCSc1cc2ccccc2cn1 62a_100000709892_100000047361 [0,0,0,0,0,1|1,1,0]=3 4094 B17R2.5669 CC(C)OCSc1cc2ccccc2cn1 62a_100009816522_100000709892 [0,0,0,0,0,1|1,1,0]=3 4095 B17R2.5669 CC(C)OCSc1ccc2ccccc2c1 62a_100000709892_100000233703 [0,0,0,0,0,1|0,1,0]=2 4096 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100000709892_100011291633 [0,0,0,0,0,1|1,1,0]=3 4097 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100011291633_100000709892 [0,0,0,0,0,1|1,1,0]=3 4098 B17R2.5669 CC(C)OCSc1ccc2cccnc2c1 62a_100000709892_100009816655 [0,0,0,0,0,1|1,1,0]=3 4099 B17R2.5669 CC(C)OCSc1ccc2cccnc2n1 62a_100000075685_100000709892 [0,0,0,0,0,1|2,1,0]=4 4100 B17R2.5669 CC(C)OCSc1ccc2cccnc2n1 62a_100000709892_100000075685 [0,0,0,0,0,1|2,1,0]=4 4101 B17R2.5669 CC(C)OCSc1ccc2ccncc2c1 62a_100000686496_100000709892 [0,0,0,0,0,1|1,1,0]=3 4102 B17R2.5669 CC(C)OCSc1ccc2ccncc2c1 62a_100000709892_100000686496 [0,0,0,0,0,1|1,1,0]=3 4103 B17R2.5669 CC(C)OCSc1ccc2ccncc2n1 62a_100000709892_100000020162 [0,0,0,0,0,1|2,1,0]=4 4104 B17R2.5669 CC(C)OCSc1ccc2cnccc2c1 62a_100000709892_100009816743 [0,0,0,0,0,1|1,1,0]=3 4105 B17R2.5669 CC(C)OCSc1ccc2cnccc2c1 62a_100009816743_100000709892 [0,0,0,0,0,1|1,1,0]=3 4106 B17R2.5669 CC(C)OCSc1ccc2cncnc2c1 62a_100000709892_100010185614 [0,0,0,0,0,1|2,1,0]=4 4107 B17R2.5669 CC(C)OCSc1ccc2cncnc2c1 62a_100010185614_100000709892 [0,0,0,0,0,1|2,1,0]=4 4108 B17R2.5669 CC(C)OCSc1ccc2cnncc2c1 62a_100000709892_100010198781 [0,0,0,0,0,1|2,1,0]=4 4109 B17R2.5669 CC(C)OCSc1ccc2cnncc2c1 62a_100010198781_100000709892 [0,0,0,0,0,1|2,1,0]=4 4110 B17R2.5669 CC(C)OCSc1ccc2ncccc2c1 62a_100000709892_100011215947 [0,0,0,0,0,1|1,1,0]=3 4111 B17R2.5669 CC(C)OCSc1ccc2ncccc2c1 62a_100011215947_100000709892 [0,0,0,0,0,1|1,1,0]=3 4112 B17R2.5669 CC(C)OCSc1ccc2ncccc2n1 62a_100000709892_100000073381 [0,0,0,0,0,1|2,1,0]=4 4113 B17R2.5669 CC(C)OCSc1ccc2nccnc2c1 62a_100000709892_100011219451 [0,0,0,0,0,1|2,1,0]=4 4114 B17R2.5669 CC(C)OCSc1ccc2nccnc2c1 62a_100011219451_100000709892 [0,0,0,0,0,1|2,1,0]=4 4115 B17R2.5669 CC(C)OCSc1ccc2ncncc2c1 62a_100000709892_100009989443 [0,0,0,0,0,1|2,1,0]=4 4116 B17R2.5669 CC(C)OCSc1ccc2ncncc2c1 62a_100009989443_100000709892 [0,0,0,0,0,1|2,1,0]=4 4117 B17R2.5669 CC(C)OCSc1ccc2nnccc2c1 62a_100000709892_100010209549 [0,0,0,0,0,1|2,1,0]=4 4118 B17R2.5669 CC(C)OCSc1ccc2nnccc2c1 62a_100010209549_100000709892 [0,0,0,0,0,1|2,1,0]=4 4119 B17R2.5669 CC(C)OCSc1cnc2ccccc2c1 62a_100000709892_100000737414 [0,0,0,0,0,1|1,1,0]=3 4120 B17R2.5669 CC(C)OCSc1cnc2ccccc2n1 62a_100000709892_100000756483 [0,0,0,0,0,1|2,1,0]=4 4121 B17R2.5669 CC(C)OCSc1cnc2ccccc2n1 62a_100000756483_100000709892 [0,0,0,0,0,1|2,1,0]=4 4122 B17R2.5669 CC(C)OCSc1cnc2cccnc2c1 62a_100000709892_100010246316 [0,0,0,0,0,1|2,1,0]=4 4123 B17R2.5669 CC(C)OCSc1cnc2cccnc2c1 62a_100010246316_100000709892 [0,0,0,0,0,1|2,1,0]=4 4124 B17R2.5669 CC(C)OCSc1ncc2ccccc2n1 62a_100000709892_100000097389 [0,0,0,0,0,1|2,1,0]=4 4125 B17R2.5669 CC(F)COCc1cc2ccccc2cn1 34a_100015925927_100009869231 [0,0,0,0,0,1|2,0,0]=3 4126 B17R2.5669 CC(F)COCc1ccc2ccccc2c1 34a_100015925927_100011216711 [0,0,0,0,0,1|1,0,0]=2 4127 B17R2.5669 CC(F)COCc1ccc2ccccc2n1 34a_100015925927_100000737579 [0,0,0,0,0,1|2,0,0]=3 4128 B17R2.5669 CC(F)COCc1ccc2cnccc2c1 34a_100015925927_100020605334 [0,0,0,0,0,1|2,0,0]=3 4129 B17R2.5669 CC(F)COCc1ccc2ncccc2c1 34a_100015925927_100000703657 [0,0,0,0,0,1|2,0,0]=3 4130 B17R2.5669 CC(F)COCc1ncc2ccccc2n1 34a_100015925927_100009868571 [0,0,0,0,0,1|3,0,0]=4 4131 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 34a_100000211940_100012276601 [0,0,0,0,0,1|2,0,0]=3 4132 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 7a_100000211940_100012276601 [0,0,0,0,0,1|2,0,0]=3 4133 B17R2.5669 CC(O)CCNc1ccc2ccccc2n1 27a_200000755665_100011291633 [0,0,0,0,0,1|3,0,0]=4 4134 B17R2.5669 CC(O)CCNc1ccc2cccnc2c1 34a_100102887122_100012276601 [0,0,0,0,0,1|3,0,0]=4 4135 B17R2.5669 CC(O)CCNc1ccc2cnccc2c1 34a_100000039641_100012276601 [0,0,0,0,0,1|3,0,0]=4 4136 B17R2.5669 CC(O)CCNc1ccc2ncccc2c1 34a_100011198106_100012276601 [0,0,0,0,0,1|3,0,0]=4 4137 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 34a_100000185828_100012276601 [0,0,0,0,0,1|1,0,0]=2 4138 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 7a_100000185828_100012276601 [0,0,0,0,0,1|1,0,0]=2 4139 B17R2.5669 CC(O)CCOc1ccc2cccnc2c1 34a_100011216045_100012276601 [0,0,0,0,0,1|2,0,0]=3 4140 B17R2.5669 CC(O)CCOc1ccc2ccncc2c1 7a_100000752006_100012276601 [0,0,0,0,0,1|2,0,0]=3 4141 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 34a_100000046372_100012276601 [0,0,0,0,0,1|2,0,0]=3 4142 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 7a_100000046372_100012276601 [0,0,0,0,0,1|2,0,0]=3 4143 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 34a_100011215586_100012276601 [0,0,0,0,0,1|2,0,0]=3 4144 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 7a_100011215586_100012276601 [0,0,0,0,0,1|2,0,0]=3 4145 B17R2.5669 CC(O)CCOc1ccc2nccnc2c1 34a_100000694412_100012276601 [0,0,0,0,0,1|3,0,0]=4 4146 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 34a_100011934006_100012276601 [0,0,0,0,0,1|2,0,0]=3 4147 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 7a_100011934006_100012276601 [0,0,0,0,0,1|2,0,0]=3 4148 B17R2.5669 CC(O)CCSc1cc2ccccc2cn1 62a_100009816522_100012276601 [0,0,0,0,0,1|2,1,0]=4 4149 B17R2.5669 CC(O)CCSc1cc2ccccc2cn1 62a_100012276601_100000047361 [0,0,0,0,0,1|2,1,0]=4 4150 B17R2.5669 CC(O)CCSc1ccc2ccccc2c1 62a_100012276601_100000233703 [0,0,0,0,0,1|1,1,0]=3 4151 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100011291633_100012276601 [0,0,0,0,0,1|2,1,0]=4 4152 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100012276601_100011291633 [0,0,0,0,0,1|2,1,0]=4 4153 B17R2.5669 CC(O)CCSc1ccc2cccnc2c1 62a_100012276601_100009816655 [0,0,0,0,0,1|2,1,0]=4 4154 B17R2.5669 CC(O)CCSc1ccc2ccncc2c1 62a_100000686496_100012276601 [0,0,0,0,0,1|2,1,0]=4 4155 B17R2.5669 CC(O)CCSc1ccc2ccncc2c1 62a_100012276601_100000686496 [0,0,0,0,0,1|2,1,0]=4 4156 B17R2.5669 CC(O)CCSc1ccc2cnccc2c1 62a_100009816743_100012276601 [0,0,0,0,0,1|2,1,0]=4 4157 B17R2.5669 CC(O)CCSc1ccc2cnccc2c1 62a_100012276601_100009816743 [0,0,0,0,0,1|2,1,0]=4 4158 B17R2.5669 CC(O)CCSc1ccc2ncccc2c1 62a_100011215947_100012276601 [0,0,0,0,0,1|2,1,0]=4 4159 B17R2.5669 CC(O)CCSc1ccc2ncccc2c1 62a_100012276601_100011215947 [0,0,0,0,0,1|2,1,0]=4 4160 B17R2.5669 CC(O)CCSc1cnc2ccccc2c1 62a_100012276601_100000737414 [0,0,0,0,0,1|2,1,0]=4 4161 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 207a_100000210904_100000059776 [0,0,0,0,0,1|3,0,0]=4 4162 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 2230a_100000210904_100009869231 [0,0,0,0,0,1|3,0,0]=4 4163 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 270004a_100000210904_100000059776 [0,0,0,0,0,1|3,0,0]=4 4164 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 34a_100000210904_100009869231 [0,0,0,0,0,1|3,0,0]=4 4165 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 207a_100000210904_100000211584 [0,0,0,0,0,1|2,0,0]=3 4166 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 2230a_100000210904_100011216711 [0,0,0,0,0,1|2,0,0]=3 4167 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 2230a_100000739491_100011218427 [0,0,0,0,0,1|2,0,0]=3 4168 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 270004a_100000210904_100000211584 [0,0,0,0,0,1|2,0,0]=3 4169 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 34a_100000210904_100011216711 [0,0,0,0,0,1|2,0,0]=3 4170 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 34a_100000739491_100011218427 [0,0,0,0,0,1|2,0,0]=3 4171 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 207a_100000210904_100000759686 [0,0,0,0,0,1|3,0,0]=4 4172 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 2230a_100000210904_100000737579 [0,0,0,0,0,1|3,0,0]=4 4173 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 270004a_100000210904_100000759686 [0,0,0,0,0,1|3,0,0]=4 4174 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 34a_100000210904_100000737579 [0,0,0,0,0,1|3,0,0]=4 4175 B17R2.5669 CC(O)CNCc1ccc2cccnc2c1 207a_100000210904_100011784159 [0,0,0,0,0,1|3,0,0]=4 4176 B17R2.5669 CC(O)CNCc1ccc2cccnc2c1 270004a_100000210904_100011784159 [0,0,0,0,0,1|3,0,0]=4 4177 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 207a_100000210904_100000068276 [0,0,0,0,0,1|3,0,0]=4 4178 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 2230a_100000210904_100020605334 [0,0,0,0,0,1|3,0,0]=4 4179 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 270004a_100000210904_100000068276 [0,0,0,0,0,1|3,0,0]=4 4180 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 34a_100000210904_100020605334 [0,0,0,0,0,1|3,0,0]=4 4181 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 207a_100000210904_100000211315 [0,0,0,0,0,1|3,0,0]=4 4182 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 2230a_100000210904_100000703657 [0,0,0,0,0,1|3,0,0]=4 4183 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 270004a_100000210904_100000211315 [0,0,0,0,0,1|3,0,0]=4 4184 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 34a_100000210904_100000703657 [0,0,0,0,0,1|3,0,0]=4 4185 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 34a_100000238500_100011218427 [0,0,0,0,0,1|3,0,0]=4 4186 B17R2.5669 CC(O)CNCc1cnc2ccccc2c1 207a_100000210904_100000750898 [0,0,0,0,0,1|3,0,0]=4 4187 B17R2.5669 CC(O)CNCc1cnc2ccccc2c1 270004a_100000210904_100000750898 [0,0,0,0,0,1|3,0,0]=4 4188 B17R2.5669 CC(O)CNCc1cnc2ccccc2c1 34a_100000742225_100011218427 [0,0,0,0,0,1|3,0,0]=4 4189 B17R2.5669 CC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011218427 [0,0,0,0,0,1|1,0,0]=2 4190 B17R2.5669 CC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011218427 [0,0,0,0,0,1|1,0,0]=2 4191 B17R2.5669 CC(O)COCc1ccc2ncccc2c1 34a_100011315636_100011218427 [0,0,0,0,0,1|2,0,0]=3 4192 B17R2.5669 CC(O)COCc1cnc2ccccc2c1 34a_100011258773_100011218427 [0,0,0,0,0,1|2,0,0]=3 4193 B17R2.5669 CC(O)CSCc1cc2ccccc2cn1 62a_100009869231_100011218427 [0,0,0,0,0,1|2,1,0]=4 4194 B17R2.5669 CC(O)CSCc1cc2ccccc2cn1 62a_100011218427_100009869231 [0,0,0,0,0,1|2,1,0]=4 4195 B17R2.5669 CC(O)CSCc1ccc2ccccc2c1 62a_100011216711_100011218427 [0,0,0,0,0,1|1,1,0]=3 4196 B17R2.5669 CC(O)CSCc1ccc2ccccc2c1 62a_100011218427_100011216711 [0,0,0,0,0,1|1,1,0]=3 4197 B17R2.5669 CC(O)CSCc1ccc2ccccc2n1 62a_100000737579_100011218427 [0,0,0,0,0,1|2,1,0]=4 4198 B17R2.5669 CC(O)CSCc1ccc2ccccc2n1 62a_100011218427_100000737579 [0,0,0,0,0,1|2,1,0]=4 4199 B17R2.5669 CC(O)CSCc1ccc2cnccc2c1 62a_100011218427_100020605334 [0,0,0,0,0,1|2,1,0]=4 4200 B17R2.5669 CC(O)CSCc1ccc2cnccc2c1 62a_100020605334_100011218427 [0,0,0,0,0,1|2,1,0]=4 4201 B17R2.5669 CC(O)CSCc1ccc2ncccc2c1 62a_100000703657_100011218427 [0,0,0,0,0,1|2,1,0]=4 4202 B17R2.5669 CC(O)CSCc1ccc2ncccc2c1 62a_100011218427_100000703657 [0,0,0,0,0,1|2,1,0]=4 4203 B17R2.5669 CN(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755713 [0,0,0,0,0,1|2,0,0]=3 4204 B17R2.5669 CN(C)CCNc1ccc2ccccc2n1 27a_100000210585_100011291633 [0,0,0,0,0,1|3,0,0]=4 4205 B17R2.5669 CN(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755713 [0,0,0,0,0,1|1,0,0]=2 4206 B17R2.5669 CN(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755713 [0,0,0,0,0,1|2,0,0]=3 4207 B17R2.5669 CN(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755713 [0,0,0,0,0,1|2,0,0]=3 4208 B17R2.5669 CN(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755713 [0,0,0,0,0,1|2,0,0]=3 4209 B17R2.5669 CN(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755713 [0,0,0,0,0,1|2,0,0]=3 4210 B17R2.5669 CN(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000755713 [0,0,0,0,0,1|2,1,0]=4 4211 B17R2.5669 CN(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755713 [0,0,0,0,0,1|2,1,0]=4 4212 B17R2.5669 CN(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000755713 [0,0,0,0,0,1|2,1,0]=4 4213 B17R2.5669 CN(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000755713 [0,0,0,0,0,1|2,1,0]=4 4214 B17R2.5669 CN(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000755713 [0,0,0,0,0,1|2,1,0]=4 4215 B17R2.5669 C[C@@H](Cl)COCc1cc2ccccc2cn1 34a_100016084084_100009869231 [0,0,0,0,0,1|2,0,0]=3 4216 B17R2.5669 C[C@@H](Cl)COCc1ccc2ccccc2c1 34a_100016084084_100011216711 [0,0,0,0,0,1|1,0,0]=2 4217 B17R2.5669 C[C@@H](Cl)COCc1ccc2ccccc2n1 34a_100016084084_100000737579 [0,0,0,0,0,1|2,0,0]=3 4218 B17R2.5669 C[C@@H](Cl)COCc1ccc2cnccc2c1 34a_100016084084_100020605334 [0,0,0,0,0,1|2,0,0]=3 4219 B17R2.5669 C[C@@H](Cl)COCc1ccc2ncccc2c1 34a_100016084084_100000703657 [0,0,0,0,0,1|2,0,0]=3 4220 B17R2.5669 C[C@@H](Cl)COCc1ncc2ccccc2n1 34a_100016084084_100009868571 [0,0,0,0,0,1|3,0,0]=4 4221 B17R2.5669 C[C@@H](N)COCc1cc2ccccc2cn1 34a_100000737577_100009869231 [0,0,0,0,0,1|2,0,0]=3 4222 B17R2.5669 C[C@@H](N)COCc1ccc2ccccc2c1 34a_100000737577_100011216711 [0,0,0,0,0,1|1,0,0]=2 4223 B17R2.5669 C[C@@H](N)COCc1ccc2ccccc2n1 34a_100000737577_100000737579 [0,0,0,0,0,1|2,0,0]=3 4224 B17R2.5669 C[C@@H](N)COCc1ccc2cnccc2c1 34a_100000737577_100020605334 [0,0,0,0,0,1|2,0,0]=3 4225 B17R2.5669 C[C@@H](N)COCc1ccc2ncccc2c1 34a_100000737577_100000703657 [0,0,0,0,0,1|2,0,0]=3 4226 B17R2.5669 C[C@@H](N)COCc1ncc2ccccc2n1 34a_100000737577_100009868571 [0,0,0,0,0,1|3,0,0]=4 4227 B17R2.5669 C[C@@H](O)CNCc1ccc2ccccc2c1 2230a_100000739491_100009817552 [0,0,0,0,0,1|2,0,0]=3 4228 B17R2.5669 C[C@@H](O)CNCc1ccc2ccccc2c1 34a_100000739491_100009817552 [0,0,0,0,0,1|2,0,0]=3 4229 B17R2.5669 C[C@@H](O)CNCc1ccc2ncccc2c1 34a_100000238500_100009817552 [0,0,0,0,0,1|3,0,0]=4 4230 B17R2.5669 C[C@@H](O)CNCc1cnc2ccccc2c1 34a_100000742225_100009817552 [0,0,0,0,0,1|3,0,0]=4 4231 B17R2.5669 C[C@@H](O)COCc1ccc2ccccc2c1 34a_100011215330_100009817552 [0,0,0,0,0,1|1,0,0]=2 4232 B17R2.5669 C[C@@H](O)COCc1ccc2ccccc2c1 7a_100011215330_100009817552 [0,0,0,0,0,1|1,0,0]=2 4233 B17R2.5669 C[C@@H](O)COCc1ccc2ncccc2c1 34a_100011315636_100009817552 [0,0,0,0,0,1|2,0,0]=3 4234 B17R2.5669 C[C@@H](O)COCc1cnc2ccccc2c1 34a_100011258773_100009817552 [0,0,0,0,0,1|2,0,0]=3 4235 B17R2.5669 C[C@@H](O)CSCc1cc2ccccc2cn1 62a_100009817552_100009869231 [0,0,0,0,0,1|2,1,0]=4 4236 B17R2.5669 C[C@@H](O)CSCc1cc2ccccc2cn1 62a_100009869231_100009817552 [0,0,0,0,0,1|2,1,0]=4 4237 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2c1 62a_100009817552_100011216711 [0,0,0,0,0,1|1,1,0]=3 4238 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2c1 62a_100011216711_100009817552 [0,0,0,0,0,1|1,1,0]=3 4239 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2n1 62a_100000737579_100009817552 [0,0,0,0,0,1|2,1,0]=4 4240 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2n1 62a_100009817552_100000737579 [0,0,0,0,0,1|2,1,0]=4 4241 B17R2.5669 C[C@@H](O)CSCc1ccc2cnccc2c1 62a_100009817552_100020605334 [0,0,0,0,0,1|2,1,0]=4 4242 B17R2.5669 C[C@@H](O)CSCc1ccc2cnccc2c1 62a_100020605334_100009817552 [0,0,0,0,0,1|2,1,0]=4 4243 B17R2.5669 C[C@@H](O)CSCc1ccc2ncccc2c1 62a_100000703657_100009817552 [0,0,0,0,0,1|2,1,0]=4 4244 B17R2.5669 C[C@@H](O)CSCc1ccc2ncccc2c1 62a_100009817552_100000703657 [0,0,0,0,0,1|2,1,0]=4 4245 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 207a_100000765723_100000211584 [0,0,0,0,0,1|3,0,0]=4 4246 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 2230a_100000739491_100011934356 [0,0,0,0,0,1|3,0,0]=4 4247 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 270004a_100000765723_100000211584 [0,0,0,0,0,1|3,0,0]=4 4248 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 34a_100000739491_100011934356 [0,0,0,0,0,1|3,0,0]=4 4249 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 34a_100000765723_100011216711 [0,0,0,0,0,1|3,0,0]=4 4250 B17R2.5669 FC(F)COCc1cc2ccccc2cn1 34a_100000743014_100009869231 [0,0,0,0,0,1|3,0,0]=4 4251 B17R2.5669 FC(F)COCc1ccc2ccccc2c1 34a_100000743014_100011216711 [0,0,0,0,0,1|2,0,0]=3 4252 B17R2.5669 FC(F)COCc1ccc2ccccc2c1 34a_100011215330_100011934356 [0,0,0,0,0,1|2,0,0]=3 4253 B17R2.5669 FC(F)COCc1ccc2ccccc2c1 7a_100011215330_100011934356 [0,0,0,0,0,1|2,0,0]=3 4254 B17R2.5669 FC(F)COCc1ccc2ccccc2n1 34a_100000743014_100000737579 [0,0,0,0,0,1|3,0,0]=4 4255 B17R2.5669 FC(F)COCc1ccc2cnccc2c1 34a_100000743014_100020605334 [0,0,0,0,0,1|3,0,0]=4 4256 B17R2.5669 FC(F)COCc1ccc2ncccc2c1 34a_100000743014_100000703657 [0,0,0,0,0,1|3,0,0]=4 4257 B17R2.5669 FC(F)COCc1ccc2ncccc2c1 34a_100011315636_100011934356 [0,0,0,0,0,1|3,0,0]=4 4258 B17R2.5669 FC(F)COCc1cnc2ccccc2c1 34a_100011258773_100011934356 [0,0,0,0,0,1|3,0,0]=4 4259 B17R2.5669 FC(F)CSCc1ccc2ccccc2c1 62a_100011216711_100011934356 [0,0,0,0,0,1|2,1,0]=4 4260 B17R2.5669 FC(F)CSCc1ccc2ccccc2c1 62a_100011934356_100011216711 [0,0,0,0,0,1|2,1,0]=4 4261 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000731001 [0,0,0,0,0,1|2,0,1]=4 4262 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000744528 [0,0,0,0,0,1|2,0,1]=4 4263 B17R2.5669 NC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000187820 [0,0,0,0,0,1|2,0,1]=4 4264 B17R2.5669 NC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000187820 [0,0,0,0,0,1|2,0,1]=4 4265 B17R2.5669 O=C([O-])COCc1ccc2ccccc2c1 34a_100011215330_100020667443 [0,0,0,0,0,1|2,0,1]=4 4266 B17R2.5669 O=[N+]([O-])COCc1ccc2ccccc2c1 34a_100011215330_100000761209 [0,0,0,0,0,1|3,0,0]=4 4267 B17R2.5669 [13CH3]C(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200025704644 [0,0,0,0,0,1|2,0,1]=4 4268 B17R2.5669 [13CH3]C(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200025704644 [0,0,0,0,0,1|1,1,1]=4 4269 B14R1.70 C=CCNc1ccc(cc1)OCCC 34a_100000748631_100015514636 [1,0,1,0,0,0|1,0,1]=4 4270 B14R1.70 C=CCOc1ccc(cc1)OCCC 34a_100000185468_100015514636 [1,0,1,0,0,0|1,0,1]=4 4271 B14R1.70 C=CCOc1ccc(cc1)OCCC 7a_100000185468_100015514636 [1,0,1,0,0,0|1,0,1]=4 4272 B14R1.70 C=CCSc1ccc(cc1)OCCC 62a_100000169948_100000210623 [1,0,1,0,0,0|1,0,1]=4 4273 B14R1.70 C=CCSc1ccc(cc1)OCCC 62a_100000210623_100000169948 [1,0,1,0,0,0|1,0,1]=4 4274 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100000210303_100016291818 [1,0,1,0,0,0|1,1,0]=4 4275 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210303 [1,0,1,0,0,0|1,1,0]=4 4276 B14R1.142 C/C=C/c1ccc(cc1)SCC(C)C 62a_100000210624_100016259036 [1,0,1,0,0,0|0,1,1]=4 4277 B14R1.142 C/C=C/c1ccc(cc1)SCC(C)C 62a_100016259036_100000210760 [1,0,1,0,0,0|0,1,1]=4 4278 B14R1.142 C=C=Cc1ccc(cc1)NCC(C)C 271570a_100015277604_200011231703 [1,0,1,0,0,0|1,0,1]=4 4279 B14R1.142 C=C=Cc1ccc(cc1)OCC(C)C 271570a_100015277604_200000169949 [1,0,1,0,0,0|0,0,1]=3 4280 B14R1.142 C=CCc1ccc(cc1)OCC(C)C 34a_100000078792_100000210624 [1,0,1,0,0,0|0,0,1]=3 4281 B14R1.142 C=CCc1ccc(cc1)OCC(C)C 7a_100000078792_100000210760 [1,0,1,0,0,0|0,0,1]=3 4282 B14R1.142 C=CCc1ccc(cc1)OCC(C)O 34a_100000078792_100011218427 [1,0,1,0,0,0|1,0,1]=4 4283 B14R1.142 C=CCc1ccc(cc1)OCC(C)O 7a_100000078792_100011218427 [1,0,1,0,0,0|1,0,1]=4 4284 B14R1.142 C=CCc1ccc(cc1)OC[C@@H](C)O 34a_100000078792_100009817552 [1,0,1,0,0,0|1,0,1]=4 4285 B14R1.142 C=CCc1ccc(cc1)OC[C@@H](C)O 7a_100000078792_100009817552 [1,0,1,0,0,0|1,0,1]=4 4286 B14R1.142 C=COc1ccc(cc1)SCC(C)C 62a_100000210624_100000704263 [1,0,1,0,0,0|1,1,0]=4 4287 B14R1.142 C=COc1ccc(cc1)SCC(C)C 62a_100000704263_100000210760 [1,0,1,0,0,0|1,1,0]=4 4288 B14R1.142 CC(C)CSc1ccc(cc1)/C=C/Br 62a_100000210624_200016255901 [1,0,1,0,0,0|1,1,0]=4 4289 B14R1.142 CC(C)CSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210760 [1,0,1,0,0,0|1,1,0]=4 4290 B14R1.142 CC=Cc1ccc(cc1)NCC(C)C 271570a_100016259895_200011231703 [1,0,1,0,0,0|1,0,1]=4 4291 B14R1.142 CC=Cc1ccc(cc1)OCC(C)C 271570a_100016259895_200000169949 [1,0,1,0,0,0|0,0,1]=3 4292 B14R1.476 C=Cc1ccccc1C=NNCCC 4a_100000740057_200011996377 [1,0,1,0,0,0|2,0,0]=4 4293 B14R1.476 CCCCC=Cc1ccccc1C=O 271570a_100016275911_100000211189 [1,0,1,0,0,0|2,0,0]=4 4294 B14R1.422 CC(Br)COC/C=C/c1ccccc1 34a_100012180447_100016265936 [1,0,1,0,0,0|1,0,1]=4 4295 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100000210953_100016265936 [1,0,1,0,0,0|1,0,1]=4 4296 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000210760 [1,0,1,0,0,0|1,0,1]=4 4297 B14R1.422 CC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000210432 [1,0,1,0,0,0|1,0,1]=4 4298 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100000210953_100016265936 [1,0,1,0,0,0|1,0,1]=4 4299 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000210624 [1,0,1,0,0,0|1,0,1]=4 4300 B14R1.422 CC(C)CNCC=Cc1ccccc1 270004a_100000210953_100000210105 [1,0,1,0,0,0|1,0,1]=4 4301 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210256_100000210624 [1,0,1,0,0,0|0,0,1]=3 4302 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210257_100016265936 [1,0,1,0,0,0|0,0,1]=3 4303 B14R1.422 CC(C)COC/C=C/c1cccnc1 34a_200102594124_100000210624 [1,0,1,0,0,0|1,0,1]=4 4304 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100000210624_100016265936 [1,0,1,0,0,0|0,1,1]=4 4305 B14R1.422 CC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000210760 [1,0,1,0,0,0|0,1,1]=4 4306 B14R1.422 CC(C)NN=CC=Cc1ccccc1 4a_100000741168_100000210105 [1,0,1,0,0,0|2,0,0]=4 4307 B14R1.422 CC(F)COC/C=C/c1ccccc1 34a_100015925927_100016265936 [1,0,1,0,0,0|1,0,1]=4 4308 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [1,0,1,0,0,0|1,0,1]=4 4309 B14R1.422 C[C@@H](Cl)COC/C=C/c1ccccc1 34a_100016084084_100016265936 [1,0,1,0,0,0|1,0,1]=4 4310 B14R1.422 C[C@@H](N)COC/C=C/c1ccccc1 34a_100000737577_100016265936 [1,0,1,0,0,0|1,0,1]=4 4311 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [1,0,1,0,0,0|1,0,1]=4 4312 B14R1.42 C=Cc1cc(ccc1F)SCC(C)C 62a_100000210624_100000688377 [1,0,1,0,0,0|1,1,0]=4 4313 B14R1.42 C=Cc1cc(ccc1F)SCC(C)C 62a_100000688377_100000210760 [1,0,1,0,0,0|1,1,0]=4 4314 B14R1.468 C=C=Cc1cccc(c1)OCC(C)C 271570a_100015277604_200000170005 [1,0,1,0,0,0|0,0,1]=3 4315 B14R1.468 C=CCc1cccc(c1)SCC(C)C 62a_100000210624_100009816576 [1,0,1,0,0,0|0,1,1]=4 4316 B14R1.468 C=CCc1cccc(c1)SCC(C)C 62a_100009816576_100000210760 [1,0,1,0,0,0|0,1,1]=4 4317 B14R1.468 CC=Cc1cccc(c1)OCC(C)C 271570a_100016259895_200000170005 [1,0,1,0,0,0|0,0,1]=3 4318 B14R1.779 C=CCOc1cccc(c1)OCCC 34a_100000748497_100015514636 [1,0,1,0,0,0|1,0,1]=4 4319 B14R1.779 C=CCOc1cccc(c1)OCCC 7a_100000748497_100015514636 [1,0,1,0,0,0|1,0,1]=4 4320 B14R1.779 C=CCSc1cccc(c1)OCCC 62a_100000170004_100000210623 [1,0,1,0,0,0|1,0,1]=4 4321 B14R1.779 C=CCSc1cccc(c1)OCCC 62a_100000210623_100000170004 [1,0,1,0,0,0|1,0,1]=4 4322 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [1,0,1,0,0,0|2,0,0]=4 4323 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [1,0,1,0,0,0|2,0,0]=4 4324 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [1,0,1,0,0,0|2,0,0]=4 4325 B14R1.795 C=C=Cc1ccc(cc1C)OCCC 271570a_100015277604_200012361509 [1,0,1,0,0,0|0,0,2]=4 4326 B14R1.795 C=C=Cc1ccc(cc1F)OCCC 271570a_100015277604_200012236930 [1,0,1,0,0,0|1,0,1]=4 4327 B14R1.795 CC=Cc1ccc(cc1C)OCCC 271570a_100016259895_200012361509 [1,0,1,0,0,0|0,0,2]=4 4328 B14R1.795 CC=Cc1ccc(cc1F)OCCC 271570a_100016259895_200012236930 [1,0,1,0,0,0|1,0,1]=4 4329 B14R1.3653 C=Cc1ccc(cc1Br)OCC(C)C 271570a_100011290941_201991077984 [1,0,1,0,0,0|1,0,0]=3 4330 B14R1.3653 C=Cc1ccc(cc1F)SCC(C)C 62a_100000210624_100011935271 [1,0,1,0,0,0|1,1,0]=4 4331 B14R1.3653 C=Cc1ccc(cc1F)SCC(C)C 62a_100011935271_100000210760 [1,0,1,0,0,0|1,1,0]=4 4332 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [2,0,0,0,0,0|0,0,2]=4 4333 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [2,0,0,0,0,0|1,0,0]=3 4334 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [2,0,0,0,0,0|1,0,0]=3 4335 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [2,0,0,0,0,0|2,0,0]=4 4336 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [2,0,0,0,0,0|2,0,0]=4 4337 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [2,0,0,0,0,0|2,0,0]=4 4338 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [2,0,0,0,0,0|2,0,0]=4 4339 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [2,0,0,0,0,0|0,0,0]=2 4340 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [2,0,0,0,0,0|0,0,0]=2 4341 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [2,0,0,0,0,0|1,0,0]=3 4342 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [2,0,0,0,0,0|1,0,0]=3 4343 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [2,0,0,0,0,0|1,0,0]=3 4344 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [2,0,0,0,0,0|1,0,0]=3 4345 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [2,0,0,0,0,0|1,0,0]=3 4346 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [2,0,0,0,0,0|1,0,0]=3 4347 B14R2.112 CCOc1ccc2nccnc2c1 34a_100000694412_100000210202 [2,0,0,0,0,0|2,0,0]=4 4348 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [2,0,0,0,0,0|1,0,0]=3 4349 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [2,0,0,0,0,0|1,0,0]=3 4350 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [2,0,0,0,0,0|1,1,0]=4 4351 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [2,0,0,0,0,0|1,1,0]=4 4352 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [2,0,0,0,0,0|0,1,0]=3 4353 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [2,0,0,0,0,0|1,1,0]=4 4354 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [2,0,0,0,0,0|1,1,0]=4 4355 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [2,0,0,0,0,0|1,1,0]=4 4356 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000210202_100000686496 [2,0,0,0,0,0|1,1,0]=4 4357 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000686496_100000210202 [2,0,0,0,0,0|1,1,0]=4 4358 B14R2.112 CCSc1ccc2cnccc2c1 62a_100000210202_100009816743 [2,0,0,0,0,0|1,1,0]=4 4359 B14R2.112 CCSc1ccc2cnccc2c1 62a_100009816743_100000210202 [2,0,0,0,0,0|1,1,0]=4 4360 B14R2.112 CCSc1ccc2ncccc2c1 62a_100000210202_100011215947 [2,0,0,0,0,0|1,1,0]=4 4361 B14R2.112 CCSc1ccc2ncccc2c1 62a_100011215947_100000210202 [2,0,0,0,0,0|1,1,0]=4 4362 B14R2.112 CCSc1cnc2ccccc2c1 62a_100000210202_100000737414 [2,0,0,0,0,0|1,1,0]=4 4363 B14R2.112 CNCc1cc2ccccc2cn1 207a_100102657272_100000059776 [2,0,0,0,0,0|2,0,0]=4 4364 B14R2.112 CNCc1cc2ccccc2cn1 2230a_106832991635_100009869231 [2,0,0,0,0,0|2,0,0]=4 4365 B14R2.112 CNCc1cc2ccccc2cn1 270004a_106832991635_100000059776 [2,0,0,0,0,0|2,0,0]=4 4366 B14R2.112 CNCc1cc2ccccc2cn1 34a_100102657272_100009869231 [2,0,0,0,0,0|2,0,0]=4 4367 B14R2.112 CNCc1cc2ccccc2cn1 7a_106832991635_100009869231 [2,0,0,0,0,0|2,0,0]=4 4368 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [2,0,0,0,0,0|1,0,0]=3 4369 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [2,0,0,0,0,0|1,0,0]=3 4370 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [2,0,0,0,0,0|1,0,0]=3 4371 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [2,0,0,0,0,0|1,0,0]=3 4372 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [2,0,0,0,0,0|1,0,0]=3 4373 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [2,0,0,0,0,0|1,0,0]=3 4374 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [2,0,0,0,0,0|1,0,0]=3 4375 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [2,0,0,0,0,0|2,0,0]=4 4376 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [2,0,0,0,0,0|2,0,0]=4 4377 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [2,0,0,0,0,0|2,0,0]=4 4378 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [2,0,0,0,0,0|2,0,0]=4 4379 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [2,0,0,0,0,0|2,0,0]=4 4380 B14R2.112 CNCc1ccc2cccnc2c1 207a_100102657272_100011784159 [2,0,0,0,0,0|2,0,0]=4 4381 B14R2.112 CNCc1ccc2cccnc2c1 270004a_106832991635_100011784159 [2,0,0,0,0,0|2,0,0]=4 4382 B14R2.112 CNCc1ccc2cnccc2c1 207a_100102657272_100000068276 [2,0,0,0,0,0|2,0,0]=4 4383 B14R2.112 CNCc1ccc2cnccc2c1 2230a_106832991635_100020605334 [2,0,0,0,0,0|2,0,0]=4 4384 B14R2.112 CNCc1ccc2cnccc2c1 270004a_106832991635_100000068276 [2,0,0,0,0,0|2,0,0]=4 4385 B14R2.112 CNCc1ccc2cnccc2c1 34a_100102657272_100020605334 [2,0,0,0,0,0|2,0,0]=4 4386 B14R2.112 CNCc1ccc2cnccc2c1 7a_106832991635_100020605334 [2,0,0,0,0,0|2,0,0]=4 4387 B14R2.112 CNCc1ccc2ncccc2c1 207a_100102657272_100000211315 [2,0,0,0,0,0|2,0,0]=4 4388 B14R2.112 CNCc1ccc2ncccc2c1 2230a_106832991635_100000703657 [2,0,0,0,0,0|2,0,0]=4 4389 B14R2.112 CNCc1ccc2ncccc2c1 270004a_106832991635_100000211315 [2,0,0,0,0,0|2,0,0]=4 4390 B14R2.112 CNCc1ccc2ncccc2c1 34a_100000238500_200000210301 [2,0,0,0,0,0|2,0,0]=4 4391 B14R2.112 CNCc1ccc2ncccc2c1 34a_100102657272_100000703657 [2,0,0,0,0,0|2,0,0]=4 4392 B14R2.112 CNCc1ccc2ncccc2c1 7a_106832991635_100000703657 [2,0,0,0,0,0|2,0,0]=4 4393 B14R2.112 CNCc1cnc2ccccc2c1 207a_100102657272_100000750898 [2,0,0,0,0,0|2,0,0]=4 4394 B14R2.112 CNCc1cnc2ccccc2c1 270004a_106832991635_100000750898 [2,0,0,0,0,0|2,0,0]=4 4395 B14R2.112 CNCc1cnc2ccccc2c1 34a_100000742225_200000210301 [2,0,0,0,0,0|2,0,0]=4 4396 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [2,0,0,0,0,0|2,0,0]=4 4397 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [2,0,0,0,0,0|1,0,0]=3 4398 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [2,0,0,0,0,0|1,0,0]=3 4399 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [2,0,0,0,0,0|1,0,0]=3 4400 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [2,0,0,0,0,0|2,0,0]=4 4401 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [2,0,0,0,0,0|2,0,0]=4 4402 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [2,0,0,0,0,0|2,0,0]=4 4403 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [2,0,0,0,0,0|2,0,0]=4 4404 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [2,0,0,0,0,0|2,0,0]=4 4405 B14R2.112 CSCc1cc2ccccc2cn1 62a_100009869231_200000210301 [2,0,0,0,0,0|2,0,0]=4 4406 B14R2.112 CSCc1cc2ccccc2cn1 62a_200000210301_100009869231 [2,0,0,0,0,0|2,0,0]=4 4407 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [2,0,0,0,0,0|1,0,0]=3 4408 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [2,0,0,0,0,0|1,0,0]=3 4409 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [2,0,0,0,0,0|2,0,0]=4 4410 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [2,0,0,0,0,0|2,0,0]=4 4411 B14R2.112 CSCc1ccc2cnccc2c1 62a_100020605334_200000210301 [2,0,0,0,0,0|2,0,0]=4 4412 B14R2.112 CSCc1ccc2cnccc2c1 62a_200000210301_100020605334 [2,0,0,0,0,0|2,0,0]=4 4413 B14R2.112 CSCc1ccc2ncccc2c1 62a_100000703657_200000210301 [2,0,0,0,0,0|2,0,0]=4 4414 B14R2.112 CSCc1ccc2ncccc2c1 62a_200000210301_100000703657 [2,0,0,0,0,0|2,0,0]=4 4415 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [2,0,0,0,0,0|2,0,0]=4 4416 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [2,0,0,0,0,0|2,0,0]=4 4417 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [2,0,0,0,0,0|1,0,0]=3 4418 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [2,0,0,0,0,0|1,0,0]=3 4419 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [2,0,0,0,0,0|2,0,0]=4 4420 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [2,0,0,0,0,0|2,0,0]=4 4421 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [2,0,0,0,0,0|2,0,0]=4 4422 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [2,0,0,0,0,0|2,0,0]=4 4423 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [2,0,0,0,0,0|2,0,0]=4 4424 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [2,0,0,0,0,0|2,0,0]=4 4425 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [2,0,0,0,0,0|2,0,0]=4 4426 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [2,0,0,0,0,0|2,0,0]=4 4427 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [2,0,0,0,0,0|1,1,0]=4 4428 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [2,0,0,0,0,0|1,0,0]=3 4429 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [2,0,0,0,0,0|1,0,0]=3 4430 B14R2.112 [13CH3]NCc1ccc2ncccc2c1 34a_100000238500_200025704644 [2,0,0,0,0,0|2,0,0]=4 4431 B14R2.112 [13CH3]NCc1cnc2ccccc2c1 34a_100000742225_200025704644 [2,0,0,0,0,0|2,0,0]=4 4432 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [2,0,0,0,0,0|1,0,0]=3 4433 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [2,0,0,0,0,0|1,0,0]=3 4434 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [2,0,0,0,0,0|2,0,0]=4 4435 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [2,0,0,0,0,0|2,0,0]=4 4436 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_100009869231_200025704644 [2,0,0,0,0,0|2,0,0]=4 4437 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_200025704644_100009869231 [2,0,0,0,0,0|2,0,0]=4 4438 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [2,0,0,0,0,0|1,0,0]=3 4439 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [2,0,0,0,0,0|1,0,0]=3 4440 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [2,0,0,0,0,0|2,0,0]=4 4441 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [2,0,0,0,0,0|2,0,0]=4 4442 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_100020605334_200025704644 [2,0,0,0,0,0|2,0,0]=4 4443 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_200025704644_100020605334 [2,0,0,0,0,0|2,0,0]=4 4444 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_100000703657_200025704644 [2,0,0,0,0,0|2,0,0]=4 4445 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_200025704644_100000703657 [2,0,0,0,0,0|2,0,0]=4 4446 B16R1.71 CCC(C)CSc1ccc(cc1)/C=C/C=O 62a_100000748023_100016291818 [0,1,1,0,0,0|1,1,0]=4 4447 B16R1.71 CCC(C)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000748023 [0,1,1,0,0,0|1,1,0]=4 4448 B16R1.71 CC[C@H](C)CSc1ccc(cc1)/C=C/C=O 62a_100009816398_100016291818 [0,1,1,0,0,0|1,1,0]=4 4449 B16R1.71 CC[C@H](C)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100009816398 [0,1,1,0,0,0|1,1,0]=4 4450 B16R1.71 C[C@@H](CO)CSc1ccc(cc1)/C=C/C=O 62a_100000059175_100016291818 [0,1,1,0,0,0|1,1,0]=4 4451 B16R1.71 C[C@@H](CO)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000059175 [0,1,1,0,0,0|1,1,0]=4 4452 B16R1.603 C=C(C)CNc1ccc(cc1)OCC(C)C 27a_100000765925_200000169949 [0,1,1,0,0,0|1,0,1]=4 4453 B16R1.603 C=C(C)CNc1ccc(cc1)OCC(C)C 34a_200000243789_100000748629 [0,1,1,0,0,0|1,0,1]=4 4454 B16R1.603 C=C(C)CSc1ccc(cc1)OCC(C)C 62a_100000748629_200000169949 [0,1,1,0,0,0|1,0,1]=4 4455 B16R1.603 C=C(C)CSc1ccc(cc1)OCC(C)C 62a_200000169949_100000211660 [0,1,1,0,0,0|1,0,1]=4 4456 B16R1.603 C=C(F)CNc1ccc(cc1)OCC(C)C 34a_200000243789_100009893438 [0,1,1,0,0,0|1,0,1]=4 4457 B16R1.603 C=C(F)CSc1ccc(cc1)OCC(C)C 62a_100000042424_200000169949 [0,1,1,0,0,0|1,0,1]=4 4458 B16R1.603 C=C(F)CSc1ccc(cc1)OCC(C)C 62a_200000169949_100000042424 [0,1,1,0,0,0|1,0,1]=4 4459 B16R1.603 CC(=O)/C=C/c1ccc(cc1)OCC(C)C 34a_100000189429_100000210624 [0,1,1,0,0,0|0,0,1]=3 4460 B16R1.603 CC(=O)/C=C/c1ccc(cc1)OCC(C)O 34a_100000189429_100011218427 [0,1,1,0,0,0|1,0,1]=4 4461 B16R1.603 CC(=O)/C=C/c1ccc(cc1)OC[C@@H](C)O 34a_100000189429_100009817552 [0,1,1,0,0,0|1,0,1]=4 4462 B16R1.603 CC(=O)/C=C/c1ccc(cc1)SCC(C)C 62a_100000210624_200016259395 [0,1,1,0,0,0|0,1,1]=4 4463 B16R1.603 CC(=O)/C=C/c1ccc(cc1)SCC(C)C 62a_200016259395_100000210760 [0,1,1,0,0,0|0,1,1]=4 4464 B16R1.603 CC(=O)C=Cc1ccc(cc1)OCC(C)C 1458a_200011253214_200000210301 [0,1,1,0,0,0|0,0,1]=3 4465 B16R1.603 CC(C)C=Cc1ccc(cc1)OCC(C)C 271570a_100016257149_200000169949 [0,1,1,0,0,0|0,0,2]=4 4466 B16R1.603 CC(C)COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210624 [0,1,1,0,0,0|2,0,0]=4 4467 B16R1.603 CC(C)COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_200011253214_200025704644 [0,1,1,0,0,0|0,0,1]=3 4468 B16R1.603 CC(O)C=Cc1ccc(cc1)OCC(C)C 271570a_200011019289_200000169949 [0,1,1,0,0,0|0,0,2]=4 4469 B16R1.666 C/C=C/CNc1ccc(cc1)OCC(C)C 34a_200000243789_100102629194 [0,1,1,0,0,0|0,0,2]=4 4470 B16R1.666 C/C=C/CSc1ccc(cc1)OCC(C)C 62a_100102629194_200000169949 [0,1,1,0,0,0|0,0,2]=4 4471 B16R1.666 C/C=C/CSc1ccc(cc1)OCC(C)C 62a_200000169949_100102629194 [0,1,1,0,0,0|0,0,2]=4 4472 B16R1.666 C=CCCNc1ccc(cc1)OCC(C)C 27a_100015191253_200000169949 [0,1,1,0,0,0|0,0,2]=4 4473 B16R1.666 C=CCCNc1ccc(cc1)OCC(C)C 34a_200000243789_100000754431 [0,1,1,0,0,0|0,0,2]=4 4474 B16R1.666 C=CCCSc1ccc(cc1)OCC(C)C 62a_100000754431_200000169949 [0,1,1,0,0,0|0,0,2]=4 4475 B16R1.666 C=CCCSc1ccc(cc1)OCC(C)C 62a_200000169949_100000754431 [0,1,1,0,0,0|0,0,2]=4 4476 B16R1.666 C=CCNCc1ccc(cc1)OCC(C)C 270004a_100020586998_100000169839 [0,1,1,0,0,0|0,0,2]=4 4477 B16R1.666 C=CCNCc1ccc(cc1)OCC(C)C 34a_100103151094_100015514636 [0,1,1,0,0,0|0,0,2]=4 4478 B16R1.666 CC=CCNc1ccc(cc1)OCC(C)C 34a_200000243789_100000070051 [0,1,1,0,0,0|0,0,2]=4 4479 B16R1.666 CC=CCSc1ccc(cc1)OCC(C)C 62a_100000070051_200000169949 [0,1,1,0,0,0|0,0,2]=4 4480 B16R1.666 CC=CCSc1ccc(cc1)OCC(C)C 62a_200000169949_100000070051 [0,1,1,0,0,0|0,0,2]=4 4481 B16R1.666 CCCC=Cc1ccc(cc1)OCC(C)C 271570a_100016258520_200000169949 [0,1,1,0,0,0|0,0,2]=4 4482 B16R1.666 CCOC=Cc1ccc(cc1)OCC(C)C 271570a_100016256518_200000169949 [0,1,1,0,0,0|0,0,2]=4 4483 B16R1.666 COCC=Cc1ccc(cc1)OCC(C)C 271570a_100016286323_200000169949 [0,1,1,0,0,0|0,0,2]=4 4484 B16R1.907 C=CCC(=O)c1ccc(cc1)OCC(C)C 1458a_100000182900_100000210623 [0,1,1,0,0,0|0,0,1]=3 4485 B16R1.907 CC(C)CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_100000210624_200020603514 [0,1,1,0,0,0|1,1,0]=4 4486 B16R1.907 CC(C)CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_100000210760 [0,1,1,0,0,0|1,1,0]=4 4487 B16R1.2915 C=CC(=O)Nc1ccc(cc1)OCC(C)C 1626a_200000243789_100000185746 [0,1,1,0,0,0|1,0,0]=3 4488 B16R1.2915 C=CC(=O)Nc1ccc(cc1)OCC(C)C 22a_200000243789_100000185746 [0,1,1,0,0,0|1,0,0]=3 4489 B16R1.2915 C=CC(=O)Nc1ccc(cc1)OCC(C)C 34a_100011235904_100000210624 [0,1,1,0,0,0|1,0,0]=3 4490 B16R1.2915 C=CC(=O)Nc1ccc(cc1)OCC(C)O 34a_100011235904_100011218427 [0,1,1,0,0,0|2,0,0]=4 4491 B16R1.2915 C=CC(=O)Nc1ccc(cc1)OC[C@@H](C)O 34a_100011235904_100009817552 [0,1,1,0,0,0|2,0,0]=4 4492 B16R1.2915 C=CC(C)Sc1ccc(cc1)OCC(C)C 62a_100011215867_200000169949 [0,1,1,0,0,0|1,0,1]=4 4493 B16R1.2915 CC(=Cc1ccc(cc1)OCC(C)C)C#N 6a_100000169839_200000212204 [0,1,1,0,0,0|1,0,1]=4 4494 B16R1.2915 CC(C)COc1ccc(cc1)C=C(F)C#N 6a_100000169839_200000032654 [0,1,1,0,0,0|1,0,1]=4 4495 B16R1.5161 C=CCNc1ccc(cc1)OCC(C)(C)C 27a_100020586998_200010229346 [0,1,1,0,0,0|1,0,1]=4 4496 B16R1.5161 C=CCSc1ccc(cc1)OCC(C)(C)C 62a_100000210623_200010229346 [0,1,1,0,0,0|1,0,1]=4 4497 B16R1.5161 C=CCSc1ccc(cc1)OCC(C)(C)C 62a_200010229346_100000210623 [0,1,1,0,0,0|1,0,1]=4 4498 B16R1.5161 CC(C)(C)CSc1ccc(cc1)/C=C/C=O 62a_100011219605_100016291818 [0,1,1,0,0,0|1,1,0]=4 4499 B16R1.5161 CC(C)(C)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011219605 [0,1,1,0,0,0|1,1,0]=4 4500 B16R1.5161 CC(C)(F)CSc1ccc(cc1)/C=C/C=O 62a_100011997219_100016291818 [0,1,1,0,0,0|1,1,0]=4 4501 B16R1.5161 CC(C)(F)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011997219 [0,1,1,0,0,0|1,1,0]=4 4502 B16R1.5161 CC(C)(O)CSc1ccc(cc1)/C=C/C=O 62a_100000764493_100016291818 [0,1,1,0,0,0|1,1,0]=4 4503 B16R1.5161 CC(C)(O)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000764493 [0,1,1,0,0,0|1,1,0]=4 4504 B16R1.17855 C=CCNc1ccc(cc1Br)OCC(C)C 27a_100020586998_201991077984 [0,1,1,0,0,0|1,0,1]=4 4505 B16R1.17855 C=CCSc1ccc(cc1Br)OCC(C)C 62a_100000210623_201991077984 [0,1,1,0,0,0|1,0,1]=4 4506 B16R1.17855 C=CCSc1ccc(cc1Br)OCC(C)C 62a_201991077984_100000210623 [0,1,1,0,0,0|1,0,1]=4 4507 B16R1.1369 C=Cc1ccccc1NC(=O)CCC(C)C 11a_100012022501_100000181311 [0,1,1,0,0,0|2,0,0]=4 4508 B16R1.1369 C=Cc1ccccc1NC(=O)CCC(C)C 1626a_100012022501_100000181311 [0,1,1,0,0,0|2,0,0]=4 4509 B16R1.1369 C=Cc1ccccc1NC(=O)CCC(C)C 22a_100012022501_100000181311 [0,1,1,0,0,0|2,0,0]=4 4510 B16R1.1369 C=Cc1ccccc1NC(=O)NCC(C)C 2430a_100012022501_100000210953 [0,1,1,0,0,0|2,0,0]=4 4511 B16R1.18704 C=Cc1ccccc1C(=O)CCCC(C)C 1458a_100011830265_100011214892 [0,1,1,0,0,0|1,0,1]=4 4512 B16R1.18704 C=Cc1ccccc1C(=O)NCCC(C)C 1626a_100000210545_100011830265 [0,1,1,0,0,0|2,0,0]=4 4513 B16R1.18704 C=Cc1ccccc1C(=O)NNCC(C)C 22a_100000696102_100011830265 [0,1,1,0,0,0|2,0,0]=4 4514 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210312 [0,1,1,0,0,0|2,0,0]=4 4515 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210312 [0,1,1,0,0,0|2,0,0]=4 4516 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210312 [0,1,1,0,0,0|2,0,0]=4 4517 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210312 [0,1,1,0,0,0|2,0,0]=4 4518 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 11a_100000210953_100000719032 [0,1,1,0,0,0|2,0,0]=4 4519 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000210953_100000719032 [0,1,1,0,0,0|2,0,0]=4 4520 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000210953_100000719032 [0,1,1,0,0,0|2,0,0]=4 4521 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000210953_100000720304 [0,1,1,0,0,0|2,0,0]=4 4522 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000210953_100000720304 [0,1,1,0,0,0|2,0,0]=4 4523 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210953_100000720304 [0,1,1,0,0,0|2,0,0]=4 4524 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 11a_100000210953_100016256065 [0,1,1,0,0,0|2,0,0]=4 4525 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 1626a_100000210953_100016256065 [0,1,1,0,0,0|2,0,0]=4 4526 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 240690a_100000210953_100016256065 [0,1,1,0,0,0|2,0,0]=4 4527 B16R1.400 Cc1ccccc1C=CC(=O)NCC(C)C 1626a_100000210953_100016266485 [0,1,1,0,0,0|1,0,1]=4 4528 B16R1.937 C=CCC(=O)c1cccc(c1)OCC(C)C 1458a_100000185228_100000210623 [0,1,1,0,0,0|0,0,1]=3 4529 B16R1.1408 C/C=C/CSc1cccc(c1)OCC(C)C 62a_100102629194_200000170005 [0,1,1,0,0,0|0,0,2]=4 4530 B16R1.1408 C/C=C/CSc1cccc(c1)OCC(C)C 62a_200000170005_100102629194 [0,1,1,0,0,0|0,0,2]=4 4531 B16R1.1408 C=CCCNc1cccc(c1)OCC(C)C 27a_100015191253_200000170005 [0,1,1,0,0,0|0,0,2]=4 4532 B16R1.1408 C=CCCSc1cccc(c1)OCC(C)C 62a_100000754431_200000170005 [0,1,1,0,0,0|0,0,2]=4 4533 B16R1.1408 C=CCCSc1cccc(c1)OCC(C)C 62a_200000170005_100000754431 [0,1,1,0,0,0|0,0,2]=4 4534 B16R1.1408 C=CCNCc1cccc(c1)OCC(C)C 270004a_100020586998_100000170242 [0,1,1,0,0,0|0,0,2]=4 4535 B16R1.1408 CC=CCSc1cccc(c1)OCC(C)C 62a_100000070051_200000170005 [0,1,1,0,0,0|0,0,2]=4 4536 B16R1.1408 CC=CCSc1cccc(c1)OCC(C)C 62a_200000170005_100000070051 [0,1,1,0,0,0|0,0,2]=4 4537 B16R1.1408 CCCC=Cc1cccc(c1)OCC(C)C 271570a_100016258520_200000170005 [0,1,1,0,0,0|0,0,2]=4 4538 B16R1.1408 CCOC=Cc1cccc(c1)OCC(C)C 271570a_100016256518_200000170005 [0,1,1,0,0,0|0,0,2]=4 4539 B16R1.1408 COCC=Cc1cccc(c1)OCC(C)C 271570a_100016286323_200000170005 [0,1,1,0,0,0|0,0,2]=4 4540 B16R1.4401 C=CC(=O)Nc1cccc(c1)NCC(C)C 34a_100012282147_100000210624 [0,1,1,0,0,0|2,0,0]=4 4541 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(C)C 34a_100011235909_100000210624 [0,1,1,0,0,0|1,0,0]=3 4542 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(C)C 7a_100011235909_100000210760 [0,1,1,0,0,0|1,0,0]=3 4543 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(C)O 34a_100011235909_100011218427 [0,1,1,0,0,0|2,0,0]=4 4544 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(C)O 7a_100011235909_100011218427 [0,1,1,0,0,0|2,0,0]=4 4545 B16R1.4401 C=CC(=O)Nc1cccc(c1)OC[C@@H](C)O 34a_100011235909_100009817552 [0,1,1,0,0,0|2,0,0]=4 4546 B16R1.4401 C=CC(=O)Nc1cccc(c1)OC[C@@H](C)O 7a_100011235909_100009817552 [0,1,1,0,0,0|2,0,0]=4 4547 B16R1.4401 C=CC(C)Sc1cccc(c1)OCC(C)C 62a_100011215867_200000170005 [0,1,1,0,0,0|1,0,1]=4 4548 B16R1.4401 CC(=Cc1cccc(c1)OCC(C)C)C#N 6a_100000170242_200000212204 [0,1,1,0,0,0|1,0,1]=4 4549 B16R1.4401 CC(C)COc1cccc(c1)C=C(F)C#N 6a_100000170242_200000032654 [0,1,1,0,0,0|1,0,1]=4 4550 B16R1.12300 C=C(C)CNc1cccc(c1)OCC(C)C 27a_100000765925_200000170005 [0,1,1,0,0,0|1,0,1]=4 4551 B16R1.12300 C=C(C)CSc1cccc(c1)OCC(C)C 62a_100000748629_200000170005 [0,1,1,0,0,0|1,0,1]=4 4552 B16R1.12300 C=C(C)CSc1cccc(c1)OCC(C)C 62a_200000170005_100000211660 [0,1,1,0,0,0|1,0,1]=4 4553 B16R1.12300 C=C(F)CSc1cccc(c1)OCC(C)C 62a_100000042424_200000170005 [0,1,1,0,0,0|1,0,1]=4 4554 B16R1.12300 C=C(F)CSc1cccc(c1)OCC(C)C 62a_200000170005_100000042424 [0,1,1,0,0,0|1,0,1]=4 4555 B16R1.12300 CC(=O)/C=C/c1cccc(c1)SCC(C)C 62a_100000210624_200016266566 [0,1,1,0,0,0|0,1,1]=4 4556 B16R1.12300 CC(=O)/C=C/c1cccc(c1)SCC(C)C 62a_200016266566_100000210760 [0,1,1,0,0,0|0,1,1]=4 4557 B16R1.12300 CC(C)C=Cc1cccc(c1)OCC(C)C 271570a_100016257149_200000170005 [0,1,1,0,0,0|0,0,2]=4 4558 B16R1.12300 CC(O)C=Cc1cccc(c1)OCC(C)C 271570a_200011019289_200000170005 [0,1,1,0,0,0|0,0,2]=4 4559 B16R1.17744 C=CCNc1cccc(c1)OCC(C)(C)C 27a_100020586998_200010229345 [0,1,1,0,0,0|1,0,1]=4 4560 B16R1.17744 C=CCSc1cccc(c1)OCC(C)(C)C 62a_100000210623_200010229345 [0,1,1,0,0,0|1,0,1]=4 4561 B16R1.17744 C=CCSc1cccc(c1)OCC(C)(C)C 62a_200010229345_100000210623 [0,1,1,0,0,0|1,0,1]=4 4562 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210312 [0,1,1,0,0,0|2,0,0]=4 4563 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210476 [0,1,1,0,0,0|2,0,0]=4 4564 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210312 [0,1,1,0,0,0|2,0,0]=4 4565 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210312 [0,1,1,0,0,0|2,0,0]=4 4566 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210476 [0,1,1,0,0,0|2,0,0]=4 4567 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210312 [0,1,1,0,0,0|2,0,0]=4 4568 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210476 [0,1,1,0,0,0|2,0,0]=4 4569 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210953_100016267368 [0,1,1,0,0,0|2,0,0]=4 4570 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210953_100016267368 [0,1,1,0,0,0|2,0,0]=4 4571 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210953_100000184863 [0,1,1,0,0,0|2,0,0]=4 4572 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210953_100000184863 [0,1,1,0,0,0|2,0,0]=4 4573 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210953_100000184863 [0,1,1,0,0,0|2,0,0]=4 4574 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210953_100000182136 [0,1,1,0,0,0|2,0,0]=4 4575 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000210953_100000182136 [0,1,1,0,0,0|2,0,0]=4 4576 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210953_100000182136 [0,1,1,0,0,0|2,0,0]=4 4577 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210953_100102526154 [0,1,1,0,0,0|2,0,0]=4 4578 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000210953_100102526154 [0,1,1,0,0,0|2,0,0]=4 4579 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210953_100102526154 [0,1,1,0,0,0|2,0,0]=4 4580 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210953_100016269017 [0,1,1,0,0,0|2,0,0]=4 4581 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000716854_100000210312 [0,1,1,0,0,0|2,0,0]=4 4582 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100000716854 [0,1,1,0,0,0|2,0,0]=4 4583 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100000716854 [0,1,1,0,0,0|2,0,0]=4 4584 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 240690a_100000210953_100000716854 [0,1,1,0,0,0|2,0,0]=4 4585 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)C 1458a_100016990649_100000210312 [0,1,1,0,0,0|2,0,0]=4 4586 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 11a_100000210953_100016990649 [0,1,1,0,0,0|2,0,0]=4 4587 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 1626a_100000210953_100016990649 [0,1,1,0,0,0|2,0,0]=4 4588 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 527a_100000210953_100016990649 [0,1,1,0,0,0|2,0,0]=4 4589 B16R1.1284 CC(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210312 [0,1,1,0,0,0|2,0,0]=4 4590 B16R1.1284 CC(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210312 [0,1,1,0,0,0|2,0,0]=4 4591 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210953_200020598536 [0,1,1,0,0,0|2,0,0]=4 4592 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000210953_200020598536 [0,1,1,0,0,0|2,0,0]=4 4593 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210953_200020598536 [0,1,1,0,0,0|2,0,0]=4 4594 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210953_200020598536 [0,1,1,0,0,0|2,0,0]=4 4595 B16R1.1284 CC(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000210953_100020889036 [0,1,1,0,0,0|2,0,0]=4 4596 B16R1.1284 CC(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000210953_100020889036 [0,1,1,0,0,0|2,0,0]=4 4597 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 11a_100020588543_100000210462 [0,1,1,0,0,0|2,0,0]=4 4598 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 1626a_100020588543_100000210462 [0,1,1,0,0,0|2,0,0]=4 4599 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 11a_100020591295_100000210462 [0,1,1,0,0,0|2,0,0]=4 4600 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 1626a_100020591295_100000210462 [0,1,1,0,0,0|2,0,0]=4 4601 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 11a_100000211541_100000210462 [0,1,1,0,0,0|2,0,0]=4 4602 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 1626a_100000211541_100000210462 [0,1,1,0,0,0|2,0,0]=4 4603 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000731052 [0,1,1,0,0,0|2,0,0]=4 4604 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000747067_100000210462 [0,1,1,0,0,0|2,0,0]=4 4605 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000747067_100000210462 [0,1,1,0,0,0|2,0,0]=4 4606 B16R1.7611 CC(=CC(=O)CCC(C)C)c1ccccc1 1458a_100000743005_100000210312 [0,1,1,0,0,0|2,0,0]=4 4607 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 11a_100000210953_100000743005 [0,1,1,0,0,0|2,0,0]=4 4608 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000743005 [0,1,1,0,0,0|2,0,0]=4 4609 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 240690a_100000210953_100000743005 [0,1,1,0,0,0|2,0,0]=4 4610 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 527a_100000210953_100000743005 [0,1,1,0,0,0|2,0,0]=4 4611 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210312 [0,1,1,0,0,0|2,0,0]=4 4612 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210476 [0,1,1,0,0,0|2,0,0]=4 4613 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210312 [0,1,1,0,0,0|2,0,0]=4 4614 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210312 [0,1,1,0,0,0|2,0,0]=4 4615 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210476 [0,1,1,0,0,0|2,0,0]=4 4616 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210312 [0,1,1,0,0,0|2,0,0]=4 4617 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210476 [0,1,1,0,0,0|2,0,0]=4 4618 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210953_100016258244 [0,1,1,0,0,0|2,0,0]=4 4619 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000210953_100016258244 [0,1,1,0,0,0|2,0,0]=4 4620 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210953_100016258244 [0,1,1,0,0,0|2,0,0]=4 4621 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210953_100000184502 [0,1,1,0,0,0|2,0,0]=4 4622 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210953_100000184502 [0,1,1,0,0,0|2,0,0]=4 4623 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210953_100000184502 [0,1,1,0,0,0|2,0,0]=4 4624 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000210953_100000718793 [0,1,1,0,0,0|2,0,0]=4 4625 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000210953_100000718793 [0,1,1,0,0,0|2,0,0]=4 4626 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210953_100000718793 [0,1,1,0,0,0|2,0,0]=4 4627 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000210953_100020647043 [0,1,1,0,0,0|2,0,0]=4 4628 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000210953_100020647043 [0,1,1,0,0,0|2,0,0]=4 4629 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210953_100020647043 [0,1,1,0,0,0|2,0,0]=4 4630 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)C 1458a_100000690095_100000210312 [0,1,1,0,0,0|2,0,0]=4 4631 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 11a_100000210953_100000690095 [0,1,1,0,0,0|2,0,0]=4 4632 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 1626a_100000210953_100000690095 [0,1,1,0,0,0|2,0,0]=4 4633 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 240690a_100000210953_100000690095 [0,1,1,0,0,0|2,0,0]=4 4634 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755188 [0,1,1,0,0,0|2,0,0]=4 4635 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 11a_100000743828_100000210462 [0,1,1,0,0,0|2,0,0]=4 4636 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100000743828_100000210462 [0,1,1,0,0,0|2,0,0]=4 4637 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 11a_100020643315_100000210462 [0,1,1,0,0,0|2,0,0]=4 4638 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 1626a_100020643315_100000210462 [0,1,1,0,0,0|2,0,0]=4 4639 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccc1 1626a_100000751335_100000210462 [0,1,1,0,0,0|2,0,0]=4 4640 B16R1.6700 CC(=Cc1ccc(cc1Br)OCC(C)C)C 271570a_100102525489_201991077984 [0,1,1,0,0,0|1,0,1]=4 4641 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210303 [1,1,0,0,0,0|1,0,0]=3 4642 B16R2.767 CCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210303 [1,1,0,0,0,0|2,0,0]=4 4643 B16R2.767 CCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210303 [1,1,0,0,0,0|2,0,0]=4 4644 B16R2.767 CCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210303 [1,1,0,0,0,0|2,0,0]=4 4645 B16R2.767 CCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210303 [1,1,0,0,0,0|2,0,0]=4 4646 B16R2.767 CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210303 [1,1,0,0,0,0|1,0,0]=3 4647 B16R2.767 CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210303 [1,1,0,0,0,0|1,0,0]=3 4648 B16R2.767 CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210303 [1,1,0,0,0,0|1,0,0]=3 4649 B16R2.767 CCCN(C)c1ccc2ccccc2n1 27a_100000747261_100011291633 [1,1,0,0,0,0|2,0,0]=4 4650 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 11a_100015525214_100000210637 [1,1,0,0,0,0|2,0,0]=4 4651 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 240690a_100015525214_100000210637 [1,1,0,0,0,0|2,0,0]=4 4652 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 527a_100015525214_100000210637 [1,1,0,0,0,0|2,0,0]=4 4653 B16R2.767 CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210202 [1,1,0,0,0,0|2,0,0]=4 4654 B16R2.767 CCNC(C)c1ccc2ccccc2c1 269862a_100015525214_100000210793 [1,1,0,0,0,0|2,0,0]=4 4655 B16R2.767 CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000210202 [1,1,0,0,0,0|2,0,0]=4 4656 B16R2.767 CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000210202 [1,1,0,0,0,0|2,0,0]=4 4657 B16R2.767 CN(CCF)c1ccc2ccccc2c1 2230a_100000181211_100011217306 [1,1,0,0,0,0|2,0,0]=4 4658 B16R2.767 CN(CCF)c1ccc2ccccc2c1 269982a_100000181211_100011217306 [1,1,0,0,0,0|2,0,0]=4 4659 B16R2.767 CN(CCF)c1ccc2ccccc2c1 34a_100000181211_100011217306 [1,1,0,0,0,0|2,0,0]=4 4660 B16R2.767 CN(CCO)c1ccc2ccccc2c1 2230a_100000181211_100000211926 [1,1,0,0,0,0|2,0,0]=4 4661 B16R2.767 CN(CCO)c1ccc2ccccc2c1 269982a_100000181211_100000211926 [1,1,0,0,0,0|2,0,0]=4 4662 B16R2.767 CN(CCO)c1ccc2ccccc2c1 34a_100000181211_100000211926 [1,1,0,0,0,0|2,0,0]=4 4663 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 2230a_106832991635_100000211431 [1,1,0,0,0,0|2,0,0]=4 4664 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 7a_106832991635_100000211431 [1,1,0,0,0,0|2,0,0]=4 4665 B16R2.767 CNCC(O)c1ccc2ccccc2c1 2230a_100000754022_200000210301 [1,1,0,0,0,0|2,0,0]=4 4666 B16R2.767 CNCC(O)c1ccc2ccccc2c1 34a_100000754022_200000210301 [1,1,0,0,0,0|2,0,0]=4 4667 B16R2.767 COCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000766300 [1,1,0,0,0,0|2,0,0]=4 4668 B16R2.767 COCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000766300 [1,1,0,0,0,0|2,0,0]=4 4669 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_100000211431_200000210301 [1,1,0,0,0,0|2,0,0]=4 4670 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_200000210301_100000211431 [1,1,0,0,0,0|2,0,0]=4 4671 B16R2.767 CSCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218213 [1,1,0,0,0,0|2,0,0]=4 4672 B16R2.767 CSCN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218213 [1,1,0,0,0,0|2,0,0]=4 4673 B16R2.767 CSCN(C)c1ccc2ccccc2c1 34a_100000181211_100011218213 [1,1,0,0,0,0|2,0,0]=4 4674 B16R2.767 O=C(CCF)c1ccc2ccccc2c1 1458a_100000210637_100011217306 [1,1,0,0,0,0|2,0,0]=4 4675 B16R2.767 O=C(CCO)c1ccc2ccccc2c1 1458a_100000210637_100000211926 [1,1,0,0,0,0|2,0,0]=4 4676 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 2230a_100000754022_200025704644 [1,1,0,0,0,0|2,0,0]=4 4677 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 34a_100000754022_200025704644 [1,1,0,0,0,0|2,0,0]=4 4678 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_100000211431_200025704644 [1,1,0,0,0,0|2,0,0]=4 4679 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_200025704644_100000211431 [1,1,0,0,0,0|2,0,0]=4 4680 B16R2.1054 C#CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000184674 [1,1,0,0,0,0|0,0,2]=4 4681 B16R2.1054 C#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000038162 [1,1,0,0,0,0|0,0,2]=4 4682 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015514636 [1,1,0,0,0,0|0,0,2]=4 4683 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015514636 [1,1,0,0,0,0|0,0,2]=4 4684 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [1,1,0,0,0,0|2,0,0]=4 4685 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [1,1,0,0,0,0|1,0,0]=3 4686 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [1,1,0,0,0,0|1,0,0]=3 4687 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [1,1,0,0,0,0|2,0,0]=4 4688 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [1,1,0,0,0,0|2,0,0]=4 4689 B16R2.1054 CCCCc1cc(c2cccnc2c1)N 271570a_100020621405_200010263263 [1,1,0,0,0,0|2,0,0]=4 4690 B16R2.1054 CCCCc1cc(c2cnccc2c1)F 271570a_100020621405_100011068762 [1,1,0,0,0,0|2,0,0]=4 4691 B16R2.1054 CCCCc1cc(c2ncccc2c1)C 271570a_100020621405_100010130319 [1,1,0,0,0,0|2,0,0]=4 4692 B16R2.1054 CCCCc1cc(c2ncccc2c1)Cl 271570a_100020621405_200010369337 [1,1,0,0,0,0|2,0,0]=4 4693 B16R2.1054 CCCCc1cc(c2ncccc2c1)F 271570a_100020621405_100010234705 [1,1,0,0,0,0|2,0,0]=4 4694 B16R2.1054 CCCCc1cc(c2ncccc2c1)N 271570a_100020621405_100009814519 [1,1,0,0,0,0|2,0,0]=4 4695 B16R2.1054 CCCCc1cc(c2ncccc2c1)O 271570a_100020621405_100010248853 [1,1,0,0,0,0|2,0,0]=4 4696 B16R2.1054 CCCCc1cc2ccccc2[n+](c1)[O-] 271570a_100020621405_200010000521 [1,1,0,0,0,0|2,0,0]=4 4697 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [1,1,0,0,0,0|2,0,0]=4 4698 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [1,1,0,0,0,0|1,0,0]=3 4699 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [1,1,0,0,0,0|1,0,0]=3 4700 B16R2.1054 CCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210303 [1,1,0,0,0,0|2,0,0]=4 4701 B16R2.1054 CCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210303 [1,1,0,0,0,0|2,0,0]=4 4702 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210303 [1,1,0,0,0,0|0,0,0]=2 4703 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210303 [1,1,0,0,0,0|0,0,0]=2 4704 B16R2.1054 CCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210303 [1,1,0,0,0,0|1,0,0]=3 4705 B16R2.1054 CCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210303 [1,1,0,0,0,0|1,0,0]=3 4706 B16R2.1054 CCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210303 [1,1,0,0,0,0|1,0,0]=3 4707 B16R2.1054 CCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210303 [1,1,0,0,0,0|1,0,0]=3 4708 B16R2.1054 CCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210303 [1,1,0,0,0,0|1,0,0]=3 4709 B16R2.1054 CCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210303 [1,1,0,0,0,0|1,0,0]=3 4710 B16R2.1054 CCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210303 [1,1,0,0,0,0|1,0,0]=3 4711 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [1,1,0,0,0,0|1,1,0]=4 4712 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100000210303_100010171453 [1,1,0,0,0,0|0,1,0]=3 4713 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210303 [1,1,0,0,0,0|0,1,0]=3 4714 B16R2.1054 CCCSc1cc(c2ccccc2c1)O 62a_100000210303_100010089979 [1,1,0,0,0,0|0,1,0]=3 4715 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100000210303_100000184993 [1,1,0,0,0,0|1,1,0]=4 4716 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210303 [1,1,0,0,0,0|1,1,0]=4 4717 B16R2.1054 CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210303 [1,1,0,0,0,0|1,1,0]=4 4718 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_100000210303_200010263263 [1,1,0,0,0,0|1,1,0]=4 4719 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210303 [1,1,0,0,0,0|1,1,0]=4 4720 B16R2.1054 CCCSc1cc(c2cnccc2c1)F 62a_100000210303_100011068762 [1,1,0,0,0,0|1,1,0]=4 4721 B16R2.1054 CCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210303 [1,1,0,0,0,0|1,1,0]=4 4722 B16R2.1054 CCCSc1cc(c2ncccc2c1)C 62a_100000210303_100010130319 [1,1,0,0,0,0|1,1,0]=4 4723 B16R2.1054 CCCSc1cc(c2ncccc2c1)Cl 62a_100000210303_200010369337 [1,1,0,0,0,0|1,1,0]=4 4724 B16R2.1054 CCCSc1cc(c2ncccc2c1)F 62a_100000210303_100010234705 [1,1,0,0,0,0|1,1,0]=4 4725 B16R2.1054 CCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210303 [1,1,0,0,0,0|1,1,0]=4 4726 B16R2.1054 CCCSc1cc(c2ncccc2c1)N 62a_100000210303_100009814519 [1,1,0,0,0,0|1,1,0]=4 4727 B16R2.1054 CCCSc1cc(c2ncccc2c1)O 62a_100000210303_100010248853 [1,1,0,0,0,0|1,1,0]=4 4728 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [1,1,0,0,0,0|1,1,0]=4 4729 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100000210303_100009957331 [1,1,0,0,0,0|1,1,0]=4 4730 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210303 [1,1,0,0,0,0|1,1,0]=4 4731 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100000766300_100010171453 [1,1,0,0,0,0|1,1,0]=4 4732 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100010171453_100000766300 [1,1,0,0,0,0|1,1,0]=4 4733 B16R2.1054 COCSc1cc(c2ccccc2c1)O 62a_100000766300_100010089979 [1,1,0,0,0,0|1,1,0]=4 4734 B16R2.1054 CSCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011218213 [1,1,0,0,0,0|2,0,0]=4 4735 B16R2.1054 CSCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011218213 [1,1,0,0,0,0|1,0,0]=3 4736 B16R2.1054 CSCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011218213 [1,1,0,0,0,0|2,0,0]=4 4737 B16R2.1054 CSCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011218213 [1,1,0,0,0,0|2,0,0]=4 4738 B16R2.1054 CSCOc1cc(c2ncccc2c1)F 34a_100009888031_100011218213 [1,1,0,0,0,0|2,0,0]=4 4739 B16R2.1054 CSCOc1cc(c2ncccc2c1)N 34a_100000083691_100011218213 [1,1,0,0,0,0|2,0,0]=4 4740 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100010171453_100011218213 [1,1,0,0,0,0|1,1,0]=4 4741 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100011218213_100010171453 [1,1,0,0,0,0|1,1,0]=4 4742 B16R2.1054 CSCSc1cc(c2ccccc2c1)O 62a_100011218213_100010089979 [1,1,0,0,0,0|1,1,0]=4 4743 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011217306 [1,1,0,0,0,0|2,0,0]=4 4744 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011217306 [1,1,0,0,0,0|2,0,0]=4 4745 B16R2.1054 FCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011217306 [1,1,0,0,0,0|1,0,0]=3 4746 B16R2.1054 FCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011217306 [1,1,0,0,0,0|1,0,0]=3 4747 B16R2.1054 FCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011217306 [1,1,0,0,0,0|2,0,0]=4 4748 B16R2.1054 FCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011217306 [1,1,0,0,0,0|2,0,0]=4 4749 B16R2.1054 FCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011217306 [1,1,0,0,0,0|2,0,0]=4 4750 B16R2.1054 FCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011217306 [1,1,0,0,0,0|2,0,0]=4 4751 B16R2.1054 FCCOc1cc(c2ncccc2c1)F 34a_100009888031_100011217306 [1,1,0,0,0,0|2,0,0]=4 4752 B16R2.1054 FCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011217306 [1,1,0,0,0,0|2,0,0]=4 4753 B16R2.1054 N#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215382 [1,1,0,0,0,0|1,0,1]=4 4754 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100010171453_100011217306 [1,1,0,0,0,0|1,1,0]=4 4755 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010171453 [1,1,0,0,0,0|1,1,0]=4 4756 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100000211926_100010171453 [1,1,0,0,0,0|1,1,0]=4 4757 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100010171453_100000211926 [1,1,0,0,0,0|1,1,0]=4 4758 B16R2.1054 Nc1cc(cc2c1nccc2)OCCF 34a_100000083691_100011217306 [1,1,0,0,0,0|2,0,0]=4 4759 B16R2.1054 Nc1cc(cc2c1nccc2)OCCO 34a_100000083691_100000211926 [1,1,0,0,0,0|2,0,0]=4 4760 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_200009817547 [1,1,0,0,0,0|1,0,1]=4 4761 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_200015260668 [1,1,0,0,0,0|1,0,1]=4 4762 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000211926 [1,1,0,0,0,0|2,0,0]=4 4763 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000211926 [1,1,0,0,0,0|2,0,0]=4 4764 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000211926 [1,1,0,0,0,0|1,0,0]=3 4765 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000211926 [1,1,0,0,0,0|1,0,0]=3 4766 B16R2.1054 OCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000211926 [1,1,0,0,0,0|2,0,0]=4 4767 B16R2.1054 OCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000211926 [1,1,0,0,0,0|2,0,0]=4 4768 B16R2.1054 OCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000211926 [1,1,0,0,0,0|2,0,0]=4 4769 B16R2.1054 OCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000211926 [1,1,0,0,0,0|2,0,0]=4 4770 B16R2.1054 OCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000211926 [1,1,0,0,0,0|2,0,0]=4 4771 B16R2.1054 OCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000211926 [1,1,0,0,0,0|2,0,0]=4 4772 B16R2.1054 OCCSc1cc(c2ccccc2c1)O 62a_100000211926_100010089979 [1,1,0,0,0,0|1,1,0]=4 4773 B16R2.1054 Oc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010089979 [1,1,0,0,0,0|1,1,0]=4 4774 B16R2.1056 C#CCOc1cc2ccccc2cc1Br 34a_100009817189_100000184674 [1,1,0,0,0,0|0,0,2]=4 4775 B16R2.1056 C#CCOc1cc2ccccc2cc1Br 7a_100009817189_100000038162 [1,1,0,0,0,0|0,0,2]=4 4776 B16R2.1056 C#CCOc1cc2ccccc2cc1C 34a_100000091601_100000184674 [1,1,0,0,0,0|0,0,2]=4 4777 B16R2.1056 C#CCOc1cc2ccccc2cc1C 7a_100000091601_100000038162 [1,1,0,0,0,0|0,0,2]=4 4778 B16R2.1056 C#CCOc1cc2ccccc2cc1N 34a_106744474703_100000184674 [1,1,0,0,0,0|0,0,2]=4 4779 B16R2.1056 C#CCOc1cc2ccccc2cc1N 7a_106744474703_100000038162 [1,1,0,0,0,0|0,0,2]=4 4780 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 34a_100009817189_100015514636 [1,1,0,0,0,0|0,0,2]=4 4781 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 7a_100009817189_100015514636 [1,1,0,0,0,0|0,0,2]=4 4782 B16R2.1056 C=CCOc1cc2ccccc2cc1C 34a_100000091601_100015514636 [1,1,0,0,0,0|0,0,2]=4 4783 B16R2.1056 C=CCOc1cc2ccccc2cc1C 7a_100000091601_100015514636 [1,1,0,0,0,0|0,0,2]=4 4784 B16R2.1056 C=CCOc1cc2ccccc2cc1N 34a_106744474703_100015514636 [1,1,0,0,0,0|0,0,2]=4 4785 B16R2.1056 C=CCOc1cc2ccccc2cc1N 7a_106744474703_100015514636 [1,1,0,0,0,0|0,0,2]=4 4786 B16R2.1056 CCCCc1cc2ccccc2cc1Br 271570a_100020621405_200010169544 [1,1,0,0,0,0|1,0,0]=3 4787 B16R2.1056 CCCCc1cc2ccccc2cc1Cl 271570a_100020621405_100010152806 [1,1,0,0,0,0|1,0,0]=3 4788 B16R2.1056 CCCCc1cc2ccccc2cc1N 271570a_100020621405_100009991566 [1,1,0,0,0,0|1,0,0]=3 4789 B16R2.1056 CCCCc1cc2ccccc2cc1O 271570a_100020621405_100009817189 [1,1,0,0,0,0|1,0,0]=3 4790 B16R2.1056 CCCCc1cc2ccccc2nc1Cl 271570a_100020621405_100010220712 [1,1,0,0,0,0|2,0,0]=4 4791 B16R2.1056 CCCCc1cc2ccccc2nc1F 271570a_100020621405_100011158909 [1,1,0,0,0,0|2,0,0]=4 4792 B16R2.1056 CCCCc1cc2ccccc2nc1N 271570a_100020621405_100010135404 [1,1,0,0,0,0|2,0,0]=4 4793 B16R2.1056 CCCCc1cc2ccccc2nc1O 271570a_100020621405_200009820883 [1,1,0,0,0,0|2,0,0]=4 4794 B16R2.1056 CCCCc1cc2ccccc2oc1=O 271570a_100020621405_200000187772 [1,1,0,0,0,0|2,0,0]=4 4795 B16R2.1056 CCCCc1cc2cccnc2cc1C 271570a_100020621405_100010137429 [1,1,0,0,0,0|2,0,0]=4 4796 B16R2.1056 CCCCc1cc2cccnc2cc1F 271570a_100020621405_100009854028 [1,1,0,0,0,0|2,0,0]=4 4797 B16R2.1056 CCCCc1cc2ccncc2cc1F 271570a_100020621405_100011105921 [1,1,0,0,0,0|2,0,0]=4 4798 B16R2.1056 CCCCc1cc2cnccc2cc1F 271570a_100020621405_100010244713 [1,1,0,0,0,0|2,0,0]=4 4799 B16R2.1056 CCCCc1cc2ncccc2cc1O 271570a_100020621405_200010153759 [1,1,0,0,0,0|2,0,0]=4 4800 B16R2.1056 CCCCc1nc2ccccc2cc1Br 271570a_100020621405_100010072790 [1,1,0,0,0,0|2,0,0]=4 4801 B16R2.1056 CCCCc1nc2ccccc2cc1C 271570a_100020621405_100000751756 [1,1,0,0,0,0|2,0,0]=4 4802 B16R2.1056 CCCCc1nc2ccccc2cc1O 271570a_100020621405_200000100762 [1,1,0,0,0,0|2,0,0]=4 4803 B16R2.1056 CCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210303 [1,1,0,0,0,0|1,0,0]=3 4804 B16R2.1056 CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210303 [1,1,0,0,0,0|1,0,0]=3 4805 B16R2.1056 CCCOc1cc2ccccc2cc1Br 34a_100009817189_100000210303 [1,1,0,0,0,0|0,0,0]=2 4806 B16R2.1056 CCCOc1cc2ccccc2cc1Br 7a_100009817189_100000210303 [1,1,0,0,0,0|0,0,0]=2 4807 B16R2.1056 CCCOc1cc2ccccc2cc1C 34a_100000091601_100000210303 [1,1,0,0,0,0|0,0,0]=2 4808 B16R2.1056 CCCOc1cc2ccccc2cc1C 7a_100000091601_100000210303 [1,1,0,0,0,0|0,0,0]=2 4809 B16R2.1056 CCCOc1cc2ccccc2cc1N 34a_106744474703_100000210303 [1,1,0,0,0,0|0,0,0]=2 4810 B16R2.1056 CCCOc1cc2ccccc2cc1N 7a_106744474703_100000210303 [1,1,0,0,0,0|0,0,0]=2 4811 B16R2.1056 CCCOc1cc2ccccc2nc1C 34a_200000079175_100000210303 [1,1,0,0,0,0|1,0,0]=3 4812 B16R2.1056 CCCOc1cc2ccccc2nc1C 7a_200000079175_100000210303 [1,1,0,0,0,0|1,0,0]=3 4813 B16R2.1056 CCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210303 [1,1,0,0,0,0|1,0,0]=3 4814 B16R2.1056 CCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210303 [1,1,0,0,0,0|1,0,0]=3 4815 B16R2.1056 CCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210303 [1,1,0,0,0,0|1,0,0]=3 4816 B16R2.1056 CCCOc1cc2cccnc2cc1Br 34a_200010153759_100000210303 [1,1,0,0,0,0|1,0,0]=3 4817 B16R2.1056 CCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210303 [1,1,0,0,0,0|1,0,0]=3 4818 B16R2.1056 CCCSc1cc2ccccc2cc1N 62a_100000210303_100009991566 [1,1,0,0,0,0|0,1,0]=3 4819 B16R2.1056 CCCSc1cc2ccccc2cc1N 62a_100009991566_100000210303 [1,1,0,0,0,0|0,1,0]=3 4820 B16R2.1056 CCCSc1cc2ccccc2cc1O 62a_100000210303_100009817189 [1,1,0,0,0,0|0,1,0]=3 4821 B16R2.1056 CCCSc1cc2ccccc2nc1Cl 62a_100000210303_100010220712 [1,1,0,0,0,0|1,1,0]=4 4822 B16R2.1056 CCCSc1cc2ccccc2nc1F 62a_100000210303_100011158909 [1,1,0,0,0,0|1,1,0]=4 4823 B16R2.1056 CCCSc1cc2ccccc2nc1F 62a_100011158909_100000210303 [1,1,0,0,0,0|1,1,0]=4 4824 B16R2.1056 CCCSc1cc2ccccc2nc1N 62a_100010135404_100000210303 [1,1,0,0,0,0|1,1,0]=4 4825 B16R2.1056 CCCSc1cc2ccccc2nc1O 62a_100000210303_200009820883 [1,1,0,0,0,0|1,1,0]=4 4826 B16R2.1056 CCCSc1cc2ccccc2oc1=O 62a_100000210303_200000187772 [1,1,0,0,0,0|1,1,0]=4 4827 B16R2.1056 CCCSc1cc2cccnc2cc1C 62a_100000210303_100010137429 [1,1,0,0,0,0|1,1,0]=4 4828 B16R2.1056 CCCSc1cc2cccnc2cc1C 62a_100010137429_100000210303 [1,1,0,0,0,0|1,1,0]=4 4829 B16R2.1056 CCCSc1cc2cccnc2cc1F 62a_100000210303_100009854028 [1,1,0,0,0,0|1,1,0]=4 4830 B16R2.1056 CCCSc1cc2cccnc2cc1F 62a_100009854028_100000210303 [1,1,0,0,0,0|1,1,0]=4 4831 B16R2.1056 CCCSc1cc2ccncc2cc1F 62a_100000210303_100011105921 [1,1,0,0,0,0|1,1,0]=4 4832 B16R2.1056 CCCSc1cc2ccncc2cc1F 62a_100011105921_100000210303 [1,1,0,0,0,0|1,1,0]=4 4833 B16R2.1056 CCCSc1cc2cnccc2cc1F 62a_100000210303_100010244713 [1,1,0,0,0,0|1,1,0]=4 4834 B16R2.1056 CCCSc1cc2cnccc2cc1F 62a_100010244713_100000210303 [1,1,0,0,0,0|1,1,0]=4 4835 B16R2.1056 CCCSc1cc2ncccc2cc1O 62a_100000210303_200010153759 [1,1,0,0,0,0|1,1,0]=4 4836 B16R2.1056 CCCSc1nc2ccccc2cc1Br 62a_100000210303_100010072790 [1,1,0,0,0,0|1,1,0]=4 4837 B16R2.1056 CCCSc1nc2ccccc2cc1Br 62a_100010072790_100000210303 [1,1,0,0,0,0|1,1,0]=4 4838 B16R2.1056 CCCSc1nc2ccccc2cc1C 62a_100000210303_100000751756 [1,1,0,0,0,0|1,1,0]=4 4839 B16R2.1056 CCCSc1nc2ccccc2cc1O 62a_100000210303_200000100762 [1,1,0,0,0,0|1,1,0]=4 4840 B16R2.1056 COCSc1cc2ccccc2cc1Br 62a_100000766300_200010169544 [1,1,0,0,0,0|1,1,0]=4 4841 B16R2.1056 COCSc1cc2ccccc2cc1Br 62a_200010169544_100000766300 [1,1,0,0,0,0|1,1,0]=4 4842 B16R2.1056 COCSc1cc2ccccc2cc1Cl 62a_100000766300_100010152806 [1,1,0,0,0,0|1,1,0]=4 4843 B16R2.1056 COCSc1cc2ccccc2cc1Cl 62a_100010152806_100000766300 [1,1,0,0,0,0|1,1,0]=4 4844 B16R2.1056 COCSc1cc2ccccc2cc1N 62a_100000766300_100009991566 [1,1,0,0,0,0|1,1,0]=4 4845 B16R2.1056 COCSc1cc2ccccc2cc1N 62a_100009991566_100000766300 [1,1,0,0,0,0|1,1,0]=4 4846 B16R2.1056 COCSc1cc2ccccc2cc1O 62a_100000766300_100009817189 [1,1,0,0,0,0|1,1,0]=4 4847 B16R2.1056 CSCNc1cc2ccccc2cc1Br 34a_100009991566_100011218213 [1,1,0,0,0,0|2,0,0]=4 4848 B16R2.1056 CSCOc1cc2ccccc2cc1Br 34a_100009817189_100011218213 [1,1,0,0,0,0|1,0,0]=3 4849 B16R2.1056 CSCOc1cc2ccccc2cc1C 34a_100000091601_100011218213 [1,1,0,0,0,0|1,0,0]=3 4850 B16R2.1056 CSCOc1cc2ccccc2cc1N 34a_106744474703_100011218213 [1,1,0,0,0,0|1,0,0]=3 4851 B16R2.1056 CSCOc1cc2ccccc2nc1C 34a_200000079175_100011218213 [1,1,0,0,0,0|2,0,0]=4 4852 B16R2.1056 CSCOc1cc2ccccc2nc1Cl 34a_200000100762_100011218213 [1,1,0,0,0,0|2,0,0]=4 4853 B16R2.1056 CSCOc1cc2cccnc2cc1Br 34a_200010153759_100011218213 [1,1,0,0,0,0|2,0,0]=4 4854 B16R2.1056 CSCSc1cc2ccccc2cc1Cl 62a_100010152806_100011218213 [1,1,0,0,0,0|1,1,0]=4 4855 B16R2.1056 CSCSc1cc2ccccc2cc1Cl 62a_100011218213_100010152806 [1,1,0,0,0,0|1,1,0]=4 4856 B16R2.1056 CSCSc1cc2ccccc2cc1N 62a_100009991566_100011218213 [1,1,0,0,0,0|1,1,0]=4 4857 B16R2.1056 CSCSc1cc2ccccc2cc1N 62a_100011218213_100009991566 [1,1,0,0,0,0|1,1,0]=4 4858 B16R2.1056 CSCSc1cc2ccccc2cc1O 62a_100011218213_100009817189 [1,1,0,0,0,0|1,1,0]=4 4859 B16R2.1056 Cc1cc2ccccc2cc1OCC#N 7a_100000091601_100011215382 [1,1,0,0,0,0|1,0,1]=4 4860 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 34a_100000091601_200009817547 [1,1,0,0,0,0|1,0,1]=4 4861 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 7a_100000091601_200015260668 [1,1,0,0,0,0|1,0,1]=4 4862 B16R2.1056 Cc1cc2ccccc2cc1OCCF 34a_100000091601_100011217306 [1,1,0,0,0,0|1,0,0]=3 4863 B16R2.1056 Cc1cc2ccccc2cc1OCCF 7a_100000091601_100011217306 [1,1,0,0,0,0|1,0,0]=3 4864 B16R2.1056 Cc1cc2ccccc2cc1OCCO 34a_100000091601_100000211926 [1,1,0,0,0,0|1,0,0]=3 4865 B16R2.1056 Cc1cc2ccccc2cc1OCCO 7a_100000091601_100000211926 [1,1,0,0,0,0|1,0,0]=3 4866 B16R2.1056 Cc1nc2ccccc2cc1OCCF 34a_200000079175_100011217306 [1,1,0,0,0,0|2,0,0]=4 4867 B16R2.1056 Cc1nc2ccccc2cc1OCCF 7a_200000079175_100011217306 [1,1,0,0,0,0|2,0,0]=4 4868 B16R2.1056 Cc1nc2ccccc2cc1OCCO 34a_200000079175_100000211926 [1,1,0,0,0,0|2,0,0]=4 4869 B16R2.1056 Cc1nc2ccccc2cc1OCCO 7a_200000079175_100000211926 [1,1,0,0,0,0|2,0,0]=4 4870 B16R2.1056 FCCNc1cc2ccccc2cc1Br 34a_100009991566_100011217306 [1,1,0,0,0,0|2,0,0]=4 4871 B16R2.1056 FCCNc1cc2ccccc2cc1Br 7a_100009991566_100011217306 [1,1,0,0,0,0|2,0,0]=4 4872 B16R2.1056 FCCOc1cc2ccccc2cc1Br 34a_100009817189_100011217306 [1,1,0,0,0,0|1,0,0]=3 4873 B16R2.1056 FCCOc1cc2ccccc2cc1Br 7a_100009817189_100011217306 [1,1,0,0,0,0|1,0,0]=3 4874 B16R2.1056 FCCOc1cc2ccccc2nc1Cl 34a_200000100762_100011217306 [1,1,0,0,0,0|2,0,0]=4 4875 B16R2.1056 FCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011217306 [1,1,0,0,0,0|2,0,0]=4 4876 B16R2.1056 FCCOc1cc2cccnc2cc1Br 34a_200010153759_100011217306 [1,1,0,0,0,0|2,0,0]=4 4877 B16R2.1056 FCCOc1cc2cccnc2cc1Br 7a_200010153759_100011217306 [1,1,0,0,0,0|2,0,0]=4 4878 B16R2.1056 FCCSc1cc2ccccc2cc1Br 62a_100011217306_200010169544 [1,1,0,0,0,0|1,1,0]=4 4879 B16R2.1056 FCCSc1cc2ccccc2cc1Br 62a_200010169544_100011217306 [1,1,0,0,0,0|1,1,0]=4 4880 B16R2.1056 FCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011217306 [1,1,0,0,0,0|1,1,0]=4 4881 B16R2.1056 FCCSc1cc2ccccc2cc1Cl 62a_100011217306_100010152806 [1,1,0,0,0,0|1,1,0]=4 4882 B16R2.1056 N#CCOc1cc2ccccc2cc1Br 7a_100009817189_100011215382 [1,1,0,0,0,0|1,0,1]=4 4883 B16R2.1056 N#CCOc1cc2ccccc2cc1N 7a_106744474703_100011215382 [1,1,0,0,0,0|1,0,1]=4 4884 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 34a_106744474703_200009817547 [1,1,0,0,0,0|1,0,1]=4 4885 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 7a_106744474703_200015260668 [1,1,0,0,0,0|1,0,1]=4 4886 B16R2.1056 Nc1cc2ccccc2cc1OCCF 34a_106744474703_100011217306 [1,1,0,0,0,0|1,0,0]=3 4887 B16R2.1056 Nc1cc2ccccc2cc1OCCF 7a_106744474703_100011217306 [1,1,0,0,0,0|1,0,0]=3 4888 B16R2.1056 Nc1cc2ccccc2cc1OCCO 34a_106744474703_100000211926 [1,1,0,0,0,0|1,0,0]=3 4889 B16R2.1056 Nc1cc2ccccc2cc1OCCO 7a_106744474703_100000211926 [1,1,0,0,0,0|1,0,0]=3 4890 B16R2.1056 Nc1cc2ccccc2cc1SCCF 62a_100009991566_100011217306 [1,1,0,0,0,0|1,1,0]=4 4891 B16R2.1056 Nc1cc2ccccc2cc1SCCF 62a_100011217306_100009991566 [1,1,0,0,0,0|1,1,0]=4 4892 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100000211926_100009991566 [1,1,0,0,0,0|1,1,0]=4 4893 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100009991566_100000211926 [1,1,0,0,0,0|1,1,0]=4 4894 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 34a_100009817189_200009817547 [1,1,0,0,0,0|1,0,1]=4 4895 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 7a_100009817189_200015260668 [1,1,0,0,0,0|1,0,1]=4 4896 B16R2.1056 O=c1oc2ccccc2cc1OCCF 7a_100000061252_100011217306 [1,1,0,0,0,0|2,0,0]=4 4897 B16R2.1056 O=c1oc2ccccc2cc1OCCO 7a_100000061252_100000211926 [1,1,0,0,0,0|2,0,0]=4 4898 B16R2.1056 OCCNc1cc2ccccc2cc1Br 34a_100009991566_100000211926 [1,1,0,0,0,0|2,0,0]=4 4899 B16R2.1056 OCCNc1cc2ccccc2cc1Br 7a_100009991566_100000211926 [1,1,0,0,0,0|2,0,0]=4 4900 B16R2.1056 OCCOc1cc2ccccc2cc1Br 34a_100009817189_100000211926 [1,1,0,0,0,0|1,0,0]=3 4901 B16R2.1056 OCCOc1cc2ccccc2cc1Br 7a_100009817189_100000211926 [1,1,0,0,0,0|1,0,0]=3 4902 B16R2.1056 OCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000211926 [1,1,0,0,0,0|2,0,0]=4 4903 B16R2.1056 OCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000211926 [1,1,0,0,0,0|2,0,0]=4 4904 B16R2.1056 OCCOc1cc2cccnc2cc1Br 34a_200010153759_100000211926 [1,1,0,0,0,0|2,0,0]=4 4905 B16R2.1056 OCCOc1cc2cccnc2cc1Br 7a_200010153759_100000211926 [1,1,0,0,0,0|2,0,0]=4 4906 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_100000211926_200010169544 [1,1,0,0,0,0|1,1,0]=4 4907 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_200010169544_100000211926 [1,1,0,0,0,0|1,1,0]=4 4908 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100000211926_100010152806 [1,1,0,0,0,0|1,1,0]=4 4909 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000211926 [1,1,0,0,0,0|1,1,0]=4 4910 B16R2.1056 OCCSc1cc2ccccc2cc1O 62a_100000211926_100009817189 [1,1,0,0,0,0|1,1,0]=4 4911 B16R2.1056 Oc1cc2ccccc2cc1SCCF 62a_100011217306_100009817189 [1,1,0,0,0,0|1,1,0]=4 4912 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000184674 [1,1,0,0,0,0|0,0,2]=4 4913 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000038162 [1,1,0,0,0,0|0,0,2]=4 4914 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000184674 [1,1,0,0,0,0|0,0,2]=4 4915 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000038162 [1,1,0,0,0,0|0,0,2]=4 4916 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000184674 [1,1,0,0,0,0|0,0,2]=4 4917 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000038162 [1,1,0,0,0,0|0,0,2]=4 4918 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015514636 [1,1,0,0,0,0|0,0,2]=4 4919 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015514636 [1,1,0,0,0,0|0,0,2]=4 4920 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100015514636 [1,1,0,0,0,0|0,0,2]=4 4921 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100015514636 [1,1,0,0,0,0|0,0,2]=4 4922 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100015514636 [1,1,0,0,0,0|0,0,2]=4 4923 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100015514636 [1,1,0,0,0,0|0,0,2]=4 4924 B16R2.1285 CCCCc1cc2cc(ccc2cn1)F 271570a_100020621405_100009828686 [1,1,0,0,0,0|2,0,0]=4 4925 B16R2.1285 CCCCc1ccc2cc[n+](cc2c1)[O-] 271570a_100020621405_100009816120 [1,1,0,0,0,0|2,0,0]=4 4926 B16R2.1285 CCCCc1ccc2ccc(=O)oc2c1 271570a_100020621405_100009993525 [1,1,0,0,0,0|2,0,0]=4 4927 B16R2.1285 CCCCc1ccc2ccc(cc2c1)N 271570a_100020621405_100010090036 [1,1,0,0,0,0|1,0,0]=3 4928 B16R2.1285 CCCCc1ccc2ccc(cc2c1)O 271570a_100020621405_100009816537 [1,1,0,0,0,0|1,0,0]=3 4929 B16R2.1285 CCCCc1ccc2ccc(cc2n1)O 271570a_100020621405_100000079174 [1,1,0,0,0,0|2,0,0]=4 4930 B16R2.1285 CCCCc1ccc2ccc(nc2c1)C 271570a_100020621405_100009817087 [1,1,0,0,0,0|2,0,0]=4 4931 B16R2.1285 CCCCc1ccc2ccc(nc2c1)N 271570a_100020621405_100010187616 [1,1,0,0,0,0|2,0,0]=4 4932 B16R2.1285 CCCCc1ccc2ccc(nc2c1)O 271570a_100020621405_100000690401 [1,1,0,0,0,0|2,0,0]=4 4933 B16R2.1285 CCCCc1ccc2cnc(cc2c1)F 271570a_100020621405_100010291885 [1,1,0,0,0,0|2,0,0]=4 4934 B16R2.1285 CCCCc1ccc2cnc(cc2c1)N 271570a_100020621405_100009817123 [1,1,0,0,0,0|2,0,0]=4 4935 B16R2.1285 CCCCc1ccc2cnc(cc2c1)O 271570a_100020621405_100009817130 [1,1,0,0,0,0|2,0,0]=4 4936 B16R2.1285 CCCCc1ccc2ncc(cc2c1)Br 271570a_100020621405_200010254249 [1,1,0,0,0,0|2,0,0]=4 4937 B16R2.1285 CCCCc1ccc2ncc(cc2c1)C 271570a_100020621405_100009817055 [1,1,0,0,0,0|2,0,0]=4 4938 B16R2.1285 CCCCc1ccc2ncc(cc2c1)O 271570a_100020621405_100000703654 [1,1,0,0,0,0|2,0,0]=4 4939 B16R2.1285 CCCCc1cnc2ccc(cc2c1)Br 271570a_100020621405_100010740133 [1,1,0,0,0,0|2,0,0]=4 4940 B16R2.1285 CCCCc1cnc2ccc(cc2c1)C 271570a_100020621405_100015841224 [1,1,0,0,0,0|2,0,0]=4 4941 B16R2.1285 CCCCc1cnc2ccc(cc2c1)Cl 271570a_100020621405_100015929906 [1,1,0,0,0,0|2,0,0]=4 4942 B16R2.1285 CCCCc1cnc2ccc(cc2c1)N 271570a_100020621405_100009888932 [1,1,0,0,0,0|2,0,0]=4 4943 B16R2.1285 CCCCc1cnc2ccc(cc2c1)O 271570a_100020621405_100010137430 [1,1,0,0,0,0|2,0,0]=4 4944 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210303 [1,1,0,0,0,0|1,0,0]=3 4945 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210303 [1,1,0,0,0,0|1,0,0]=3 4946 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210303 [1,1,0,0,0,0|1,0,0]=3 4947 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210303 [1,1,0,0,0,0|1,0,0]=3 4948 B16R2.1285 CCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210303 [1,1,0,0,0,0|2,0,0]=4 4949 B16R2.1285 CCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210303 [1,1,0,0,0,0|1,0,0]=3 4950 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210303 [1,1,0,0,0,0|1,0,0]=3 4951 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210303 [1,1,0,0,0,0|1,0,0]=3 4952 B16R2.1285 CCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210303 [1,1,0,0,0,0|0,0,0]=2 4953 B16R2.1285 CCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210303 [1,1,0,0,0,0|0,0,0]=2 4954 B16R2.1285 CCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210303 [1,1,0,0,0,0|0,0,0]=2 4955 B16R2.1285 CCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210303 [1,1,0,0,0,0|0,0,0]=2 4956 B16R2.1285 CCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210303 [1,1,0,0,0,0|0,0,0]=2 4957 B16R2.1285 CCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210303 [1,1,0,0,0,0|0,0,0]=2 4958 B16R2.1285 CCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210303 [1,1,0,0,0,0|1,0,0]=3 4959 B16R2.1285 CCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210303 [1,1,0,0,0,0|1,0,0]=3 4960 B16R2.1285 CCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210303 [1,1,0,0,0,0|1,0,0]=3 4961 B16R2.1285 CCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210303 [1,1,0,0,0,0|1,0,0]=3 4962 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210303 [1,1,0,0,0,0|1,0,0]=3 4963 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210303 [1,1,0,0,0,0|1,0,0]=3 4964 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210303 [1,1,0,0,0,0|1,0,0]=3 4965 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210303 [1,1,0,0,0,0|1,0,0]=3 4966 B16R2.1285 CCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210303 [1,1,0,0,0,0|1,0,0]=3 4967 B16R2.1285 CCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210303 [1,1,0,0,0,0|1,0,0]=3 4968 B16R2.1285 CCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210303 [1,1,0,0,0,0|2,0,0]=4 4969 B16R2.1285 CCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210303 [1,1,0,0,0,0|1,0,0]=3 4970 B16R2.1285 CCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210303 [1,1,0,0,0,0|1,0,0]=3 4971 B16R2.1285 CCCSc1cc2cc(ccc2cn1)F 62a_100000210303_100009828686 [1,1,0,0,0,0|1,1,0]=4 4972 B16R2.1285 CCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210303 [1,1,0,0,0,0|1,1,0]=4 4973 B16R2.1285 CCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210303_100009816120 [1,1,0,0,0,0|1,1,0]=4 4974 B16R2.1285 CCCSc1ccc2ccc(=O)oc2c1 62a_100000210303_100009993525 [1,1,0,0,0,0|1,1,0]=4 4975 B16R2.1285 CCCSc1ccc2ccc(cc2c1)N 62a_100000210303_100010090036 [1,1,0,0,0,0|0,1,0]=3 4976 B16R2.1285 CCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210303 [1,1,0,0,0,0|0,1,0]=3 4977 B16R2.1285 CCCSc1ccc2ccc(cc2c1)O 62a_100000210303_100009816537 [1,1,0,0,0,0|0,1,0]=3 4978 B16R2.1285 CCCSc1ccc2ccc(cc2n1)O 62a_100000210303_100000079174 [1,1,0,0,0,0|1,1,0]=4 4979 B16R2.1285 CCCSc1ccc2ccc(nc2c1)C 62a_100000210303_100009817087 [1,1,0,0,0,0|1,1,0]=4 4980 B16R2.1285 CCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000210303 [1,1,0,0,0,0|1,1,0]=4 4981 B16R2.1285 CCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210303 [1,1,0,0,0,0|1,1,0]=4 4982 B16R2.1285 CCCSc1ccc2ccc(nc2c1)O 62a_100000210303_100000690401 [1,1,0,0,0,0|1,1,0]=4 4983 B16R2.1285 CCCSc1ccc2cnc(cc2c1)F 62a_100000210303_100010291885 [1,1,0,0,0,0|1,1,0]=4 4984 B16R2.1285 CCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210303 [1,1,0,0,0,0|1,1,0]=4 4985 B16R2.1285 CCCSc1ccc2cnc(cc2c1)N 62a_100000210303_100009817123 [1,1,0,0,0,0|1,1,0]=4 4986 B16R2.1285 CCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210303 [1,1,0,0,0,0|1,1,0]=4 4987 B16R2.1285 CCCSc1ccc2cnc(cc2c1)O 62a_100000210303_100009817130 [1,1,0,0,0,0|1,1,0]=4 4988 B16R2.1285 CCCSc1ccc2ncc(cc2c1)Br 62a_100000210303_200010254249 [1,1,0,0,0,0|1,1,0]=4 4989 B16R2.1285 CCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210303 [1,1,0,0,0,0|1,1,0]=4 4990 B16R2.1285 CCCSc1ccc2ncc(cc2c1)C 62a_100000210303_100009817055 [1,1,0,0,0,0|1,1,0]=4 4991 B16R2.1285 CCCSc1ccc2ncc(cc2c1)O 62a_100000210303_100000703654 [1,1,0,0,0,0|1,1,0]=4 4992 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Br 62a_100000210303_100010740133 [1,1,0,0,0,0|1,1,0]=4 4993 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210303 [1,1,0,0,0,0|1,1,0]=4 4994 B16R2.1285 CCCSc1cnc2ccc(cc2c1)C 62a_100000210303_100015841224 [1,1,0,0,0,0|1,1,0]=4 4995 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Cl 62a_100000210303_100015929906 [1,1,0,0,0,0|1,1,0]=4 4996 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210303 [1,1,0,0,0,0|1,1,0]=4 4997 B16R2.1285 CCCSc1cnc2ccc(cc2c1)N 62a_100000210303_100009888932 [1,1,0,0,0,0|1,1,0]=4 4998 B16R2.1285 CCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210303 [1,1,0,0,0,0|1,1,0]=4 4999 B16R2.1285 CCCSc1cnc2ccc(cc2c1)O 62a_100000210303_100010137430 [1,1,0,0,0,0|1,1,0]=4 5000 B16R2.1285 CCNCc1ccc2ccc(cc2c1)Br 207a_100015525214_100010200085 [1,1,0,0,0,0|2,0,0]=4 5001 B16R2.1285 CCNCc1ccc2ccc(cc2c1)Br 270004a_100015525214_100010200085 [1,1,0,0,0,0|2,0,0]=4 5002 B16R2.1285 COCSc1ccc2ccc(cc2c1)N 62a_100000766300_100010090036 [1,1,0,0,0,0|1,1,0]=4 5003 B16R2.1285 COCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000766300 [1,1,0,0,0,0|1,1,0]=4 5004 B16R2.1285 COCSc1ccc2ccc(cc2c1)O 62a_100000766300_100009816537 [1,1,0,0,0,0|1,1,0]=4 5005 B16R2.1285 CSCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011218213 [1,1,0,0,0,0|2,0,0]=4 5006 B16R2.1285 CSCNc1ccc2ccc(cc2c1)O 34a_100015378740_100011218213 [1,1,0,0,0,0|2,0,0]=4 5007 B16R2.1285 CSCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011218213 [1,1,0,0,0,0|2,0,0]=4 5008 B16R2.1285 CSCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100011218213 [1,1,0,0,0,0|2,0,0]=4 5009 B16R2.1285 CSCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218213 [1,1,0,0,0,0|1,0,0]=3 5010 B16R2.1285 CSCOc1ccc2ccc(cc2c1)C 34a_100000091598_100011218213 [1,1,0,0,0,0|1,0,0]=3 5011 B16R2.1285 CSCOc1ccc2ccc(cc2c1)N 34a_100015378740_100011218213 [1,1,0,0,0,0|1,0,0]=3 5012 B16R2.1285 CSCOc1ccc2ccc(nc2c1)C 34a_100009867695_100011218213 [1,1,0,0,0,0|2,0,0]=4 5013 B16R2.1285 CSCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011218213 [1,1,0,0,0,0|2,0,0]=4 5014 B16R2.1285 CSCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011218213 [1,1,0,0,0,0|2,0,0]=4 5015 B16R2.1285 CSCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011218213 [1,1,0,0,0,0|2,0,0]=4 5016 B16R2.1285 CSCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011218213 [1,1,0,0,0,0|2,0,0]=4 5017 B16R2.1285 CSCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011218213 [1,1,0,0,0,0|2,0,0]=4 5018 B16R2.1285 CSCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011218213 [1,1,0,0,0,0|1,1,0]=4 5019 B16R2.1285 CSCSc1ccc2ccc(cc2c1)N 62a_100011218213_100010090036 [1,1,0,0,0,0|1,1,0]=4 5020 B16R2.1285 CSCSc1ccc2ccc(cc2c1)O 62a_100011218213_100009816537 [1,1,0,0,0,0|1,1,0]=4 5021 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC#N 7a_100000091598_100011215382 [1,1,0,0,0,0|1,0,1]=4 5022 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 34a_100000091598_200009817547 [1,1,0,0,0,0|1,0,1]=4 5023 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 7a_100000091598_200015260668 [1,1,0,0,0,0|1,0,1]=4 5024 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCF 34a_100000091598_100011217306 [1,1,0,0,0,0|1,0,0]=3 5025 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCF 7a_100000091598_100011217306 [1,1,0,0,0,0|1,0,0]=3 5026 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 34a_100000091598_100000211926 [1,1,0,0,0,0|1,0,0]=3 5027 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 7a_100000091598_100000211926 [1,1,0,0,0,0|1,0,0]=3 5028 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCF 34a_100009867695_100011217306 [1,1,0,0,0,0|2,0,0]=4 5029 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCF 7a_100009867695_100011217306 [1,1,0,0,0,0|2,0,0]=4 5030 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCO 34a_100009867695_100000211926 [1,1,0,0,0,0|2,0,0]=4 5031 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCO 7a_100009867695_100000211926 [1,1,0,0,0,0|2,0,0]=4 5032 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011217306 [1,1,0,0,0,0|2,0,0]=4 5033 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011217306 [1,1,0,0,0,0|2,0,0]=4 5034 B16R2.1285 FCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011217306 [1,1,0,0,0,0|2,0,0]=4 5035 B16R2.1285 FCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011217306 [1,1,0,0,0,0|1,0,0]=3 5036 B16R2.1285 FCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011217306 [1,1,0,0,0,0|1,0,0]=3 5037 B16R2.1285 FCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011217306 [1,1,0,0,0,0|2,0,0]=4 5038 B16R2.1285 FCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011217306 [1,1,0,0,0,0|2,0,0]=4 5039 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011217306 [1,1,0,0,0,0|2,0,0]=4 5040 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011217306 [1,1,0,0,0,0|2,0,0]=4 5041 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011217306 [1,1,0,0,0,0|2,0,0]=4 5042 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011217306 [1,1,0,0,0,0|2,0,0]=4 5043 B16R2.1285 FCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011217306 [1,1,0,0,0,0|2,0,0]=4 5044 B16R2.1285 FCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011217306 [1,1,0,0,0,0|2,0,0]=4 5045 B16R2.1285 FCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011217306 [1,1,0,0,0,0|2,0,0]=4 5046 B16R2.1285 FCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011217306 [1,1,0,0,0,0|2,0,0]=4 5047 B16R2.1285 N#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215382 [1,1,0,0,0,0|1,0,1]=4 5048 B16R2.1285 N#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100011215382 [1,1,0,0,0,0|1,0,1]=4 5049 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 34a_100015378740_200009817547 [1,1,0,0,0,0|1,0,1]=4 5050 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 7a_100015378740_200015260668 [1,1,0,0,0,0|1,0,1]=4 5051 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCF 34a_100015378740_100011217306 [1,1,0,0,0,0|1,0,0]=3 5052 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCF 7a_100015378740_100011217306 [1,1,0,0,0,0|1,0,0]=3 5053 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 34a_100015378740_100000211926 [1,1,0,0,0,0|1,0,0]=3 5054 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 7a_100015378740_100000211926 [1,1,0,0,0,0|1,0,0]=3 5055 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCF 62a_100010090036_100011217306 [1,1,0,0,0,0|1,1,0]=4 5056 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCF 62a_100011217306_100010090036 [1,1,0,0,0,0|1,1,0]=4 5057 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100000211926_100010090036 [1,1,0,0,0,0|1,1,0]=4 5058 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100010090036_100000211926 [1,1,0,0,0,0|1,1,0]=4 5059 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_200009817547 [1,1,0,0,0,0|1,0,1]=4 5060 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200015260668 [1,1,0,0,0,0|1,0,1]=4 5061 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCF 34a_100000185914_100011217306 [1,1,0,0,0,0|2,0,0]=4 5062 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCF 7a_100000185914_100011217306 [1,1,0,0,0,0|2,0,0]=4 5063 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCO 34a_100000185914_100000211926 [1,1,0,0,0,0|2,0,0]=4 5064 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCO 7a_100000185914_100000211926 [1,1,0,0,0,0|2,0,0]=4 5065 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000211926 [1,1,0,0,0,0|2,0,0]=4 5066 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000211926 [1,1,0,0,0,0|2,0,0]=4 5067 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000211926 [1,1,0,0,0,0|2,0,0]=4 5068 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000211926 [1,1,0,0,0,0|2,0,0]=4 5069 B16R2.1285 OCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000211926 [1,1,0,0,0,0|2,0,0]=4 5070 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000211926 [1,1,0,0,0,0|1,0,0]=3 5071 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000211926 [1,1,0,0,0,0|1,0,0]=3 5072 B16R2.1285 OCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000211926 [1,1,0,0,0,0|2,0,0]=4 5073 B16R2.1285 OCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000211926 [1,1,0,0,0,0|2,0,0]=4 5074 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000211926 [1,1,0,0,0,0|2,0,0]=4 5075 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000211926 [1,1,0,0,0,0|2,0,0]=4 5076 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000211926 [1,1,0,0,0,0|2,0,0]=4 5077 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000211926 [1,1,0,0,0,0|2,0,0]=4 5078 B16R2.1285 OCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000211926 [1,1,0,0,0,0|2,0,0]=4 5079 B16R2.1285 OCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000211926 [1,1,0,0,0,0|2,0,0]=4 5080 B16R2.1285 OCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000211926 [1,1,0,0,0,0|2,0,0]=4 5081 B16R2.1285 OCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000211926 [1,1,0,0,0,0|2,0,0]=4 5082 B16R2.1285 OCCSc1ccc2ccc(cc2c1)O 62a_100000211926_100009816537 [1,1,0,0,0,0|1,1,0]=4 5083 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 34a_100015378740_100011217306 [1,1,0,0,0,0|2,0,0]=4 5084 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 7a_100015378740_100011217306 [1,1,0,0,0,0|2,0,0]=4 5085 B16R2.1285 Oc1ccc2ccc(cc2c1)SCCF 62a_100011217306_100009816537 [1,1,0,0,0,0|1,1,0]=4 5086 B16R2.1293 C#CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000184674 [1,1,0,0,0,0|0,0,2]=4 5087 B16R2.1293 C#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000038162 [1,1,0,0,0,0|0,0,2]=4 5088 B16R2.1293 C#CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000184674 [1,1,0,0,0,0|0,0,2]=4 5089 B16R2.1293 C#CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000038162 [1,1,0,0,0,0|0,0,2]=4 5090 B16R2.1293 C#CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000184674 [1,1,0,0,0,0|0,0,2]=4 5091 B16R2.1293 C#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000038162 [1,1,0,0,0,0|0,0,2]=4 5092 B16R2.1293 C#CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000184674 [1,1,0,0,0,0|0,0,2]=4 5093 B16R2.1293 C#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000038162 [1,1,0,0,0,0|0,0,2]=4 5094 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015514636 [1,1,0,0,0,0|0,0,2]=4 5095 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015514636 [1,1,0,0,0,0|0,0,2]=4 5096 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 34a_200000091600_100015514636 [1,1,0,0,0,0|0,0,2]=4 5097 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 7a_200000091600_100015514636 [1,1,0,0,0,0|0,0,2]=4 5098 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 34a_100000091619_100015514636 [1,1,0,0,0,0|0,0,2]=4 5099 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 7a_100000091619_100015514636 [1,1,0,0,0,0|0,0,2]=4 5100 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 34a_100000034012_100015514636 [1,1,0,0,0,0|0,0,2]=4 5101 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 7a_100000034012_100015514636 [1,1,0,0,0,0|0,0,2]=4 5102 B16R2.1293 CCCCc1ccc2[nH]ccc(=O)c2c1 271570a_100020621405_100000746092 [1,1,0,0,0,0|2,0,0]=4 5103 B16R2.1293 CCCCc1ccc2cccc(c2c1)C 271570a_100020621405_100010089936 [1,1,0,0,0,0|1,0,0]=3 5104 B16R2.1293 CCCCc1ccc2cccc(c2c1)N 271570a_100020621405_100010090012 [1,1,0,0,0,0|1,0,0]=3 5105 B16R2.1293 CCCCc1ccc2cccc(c2c1)O 271570a_100020621405_100010089991 [1,1,0,0,0,0|1,0,0]=3 5106 B16R2.1293 CCCCc1ccc2cccc(c2n1)C 271570a_100020621405_100012002297 [1,1,0,0,0,0|2,0,0]=4 5107 B16R2.1293 CCCCc1ccc2cccc(c2n1)F 271570a_100020621405_100012017632 [1,1,0,0,0,0|2,0,0]=4 5108 B16R2.1293 CCCCc1ccc2cccc(c2n1)O 271570a_100020621405_100010153751 [1,1,0,0,0,0|2,0,0]=4 5109 B16R2.1293 CCCCc1ccc2ccnc(c2c1)C 271570a_100020621405_200010739692 [1,1,0,0,0,0|2,0,0]=4 5110 B16R2.1293 CCCCc1ccc2ccnc(c2c1)N 271570a_100020621405_100012352255 [1,1,0,0,0,0|2,0,0]=4 5111 B16R2.1293 CCCCc1ccc2ccnc(c2c1)O 271570a_100020621405_100000010956 [1,1,0,0,0,0|2,0,0]=4 5112 B16R2.1293 CCCCc1ccc2cncc(c2c1)O 271570a_100020621405_100010136424 [1,1,0,0,0,0|2,0,0]=4 5113 B16R2.1293 CCCCc1ccc2nccc(c2c1)C 271570a_100020621405_100009817033 [1,1,0,0,0,0|2,0,0]=4 5114 B16R2.1293 CCCCc1ccc2nccc(c2c1)Cl 271570a_100020621405_100011310491 [1,1,0,0,0,0|2,0,0]=4 5115 B16R2.1293 CCCCc1ccc2nccc(c2c1)N 271570a_100020621405_100011620571 [1,1,0,0,0,0|2,0,0]=4 5116 B16R2.1293 CCCCc1ccc2occc(=O)c2c1 271570a_100020621405_100009813387 [1,1,0,0,0,0|2,0,0]=4 5117 B16R2.1293 CCCCc1cnc2cccc(c2c1)N 271570a_100020621405_100010264086 [1,1,0,0,0,0|2,0,0]=4 5118 B16R2.1293 CCCCc1cnc2cccc(c2c1)O 271570a_100020621405_200010153752 [1,1,0,0,0,0|2,0,0]=4 5119 B16R2.1293 CCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210303 [1,1,0,0,0,0|1,0,0]=3 5120 B16R2.1293 CCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210303 [1,1,0,0,0,0|2,0,0]=4 5121 B16R2.1293 CCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210303 [1,1,0,0,0,0|2,0,0]=4 5122 B16R2.1293 CCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210303 [1,1,0,0,0,0|2,0,0]=4 5123 B16R2.1293 CCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210303 [1,1,0,0,0,0|0,0,0]=2 5124 B16R2.1293 CCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210303 [1,1,0,0,0,0|0,0,0]=2 5125 B16R2.1293 CCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210303 [1,1,0,0,0,0|0,0,0]=2 5126 B16R2.1293 CCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210303 [1,1,0,0,0,0|0,0,0]=2 5127 B16R2.1293 CCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210303 [1,1,0,0,0,0|0,0,0]=2 5128 B16R2.1293 CCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210303 [1,1,0,0,0,0|0,0,0]=2 5129 B16R2.1293 CCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210303 [1,1,0,0,0,0|0,0,0]=2 5130 B16R2.1293 CCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210303 [1,1,0,0,0,0|0,0,0]=2 5131 B16R2.1293 CCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210303 [1,1,0,0,0,0|1,0,0]=3 5132 B16R2.1293 CCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210303 [1,1,0,0,0,0|1,0,0]=3 5133 B16R2.1293 CCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210303 [1,1,0,0,0,0|2,0,0]=4 5134 B16R2.1293 CCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210303 [1,1,0,0,0,0|1,0,0]=3 5135 B16R2.1293 CCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210303 [1,1,0,0,0,0|1,0,0]=3 5136 B16R2.1293 CCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210303 [1,1,0,0,0,0|1,0,0]=3 5137 B16R2.1293 CCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210303 [1,1,0,0,0,0|1,0,0]=3 5138 B16R2.1293 CCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210303_100000746092 [1,1,0,0,0,0|1,1,0]=4 5139 B16R2.1293 CCCSc1ccc2cccc(c2c1)C 62a_100000210303_100010089936 [1,1,0,0,0,0|0,1,0]=3 5140 B16R2.1293 CCCSc1ccc2cccc(c2c1)N 62a_100000210303_100010090012 [1,1,0,0,0,0|0,1,0]=3 5141 B16R2.1293 CCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210303 [1,1,0,0,0,0|0,1,0]=3 5142 B16R2.1293 CCCSc1ccc2cccc(c2c1)O 62a_100000210303_100010089991 [1,1,0,0,0,0|0,1,0]=3 5143 B16R2.1293 CCCSc1ccc2cccc(c2n1)C 62a_100000210303_100012002297 [1,1,0,0,0,0|1,1,0]=4 5144 B16R2.1293 CCCSc1ccc2cccc(c2n1)F 62a_100000210303_100012017632 [1,1,0,0,0,0|1,1,0]=4 5145 B16R2.1293 CCCSc1ccc2cccc(c2n1)O 62a_100000210303_100000013812 [1,1,0,0,0,0|1,1,0]=4 5146 B16R2.1293 CCCSc1ccc2ccnc(c2c1)C 62a_100000210303_200010739692 [1,1,0,0,0,0|1,1,0]=4 5147 B16R2.1293 CCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000210303 [1,1,0,0,0,0|1,1,0]=4 5148 B16R2.1293 CCCSc1ccc2ccnc(c2c1)N 62a_100000210303_100012352255 [1,1,0,0,0,0|1,1,0]=4 5149 B16R2.1293 CCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210303 [1,1,0,0,0,0|1,1,0]=4 5150 B16R2.1293 CCCSc1ccc2ccnc(c2c1)O 62a_100000210303_100000010956 [1,1,0,0,0,0|1,1,0]=4 5151 B16R2.1293 CCCSc1ccc2cncc(c2c1)O 62a_100000210303_100010136424 [1,1,0,0,0,0|1,1,0]=4 5152 B16R2.1293 CCCSc1ccc2nccc(c2c1)C 62a_100000210303_100009817033 [1,1,0,0,0,0|1,1,0]=4 5153 B16R2.1293 CCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210303 [1,1,0,0,0,0|1,1,0]=4 5154 B16R2.1293 CCCSc1ccc2nccc(c2c1)Cl 62a_100000210303_100011310491 [1,1,0,0,0,0|1,1,0]=4 5155 B16R2.1293 CCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210303 [1,1,0,0,0,0|1,1,0]=4 5156 B16R2.1293 CCCSc1ccc2nccc(c2c1)N 62a_100000210303_100011620571 [1,1,0,0,0,0|1,1,0]=4 5157 B16R2.1293 CCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210303 [1,1,0,0,0,0|1,1,0]=4 5158 B16R2.1293 CCCSc1ccc2occc(=O)c2c1 62a_100000210303_100009813387 [1,1,0,0,0,0|1,1,0]=4 5159 B16R2.1293 CCCSc1cnc2cccc(c2c1)N 62a_100000210303_100010264086 [1,1,0,0,0,0|1,1,0]=4 5160 B16R2.1293 CCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210303 [1,1,0,0,0,0|1,1,0]=4 5161 B16R2.1293 CCCSc1cnc2cccc(c2c1)O 62a_100000210303_200010153752 [1,1,0,0,0,0|1,1,0]=4 5162 B16R2.1293 COCSc1ccc2cccc(c2c1)C 62a_100000766300_100010089936 [1,1,0,0,0,0|1,1,0]=4 5163 B16R2.1293 COCSc1ccc2cccc(c2c1)N 62a_100000766300_100010090012 [1,1,0,0,0,0|1,1,0]=4 5164 B16R2.1293 COCSc1ccc2cccc(c2c1)N 62a_100010090012_100000766300 [1,1,0,0,0,0|1,1,0]=4 5165 B16R2.1293 COCSc1ccc2cccc(c2c1)O 62a_100000766300_100010089991 [1,1,0,0,0,0|1,1,0]=4 5166 B16R2.1293 CSCNc1ccc2cccc(c2c1)O 34a_100132313934_100011218213 [1,1,0,0,0,0|2,0,0]=4 5167 B16R2.1293 CSCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011218213 [1,1,0,0,0,0|1,0,0]=3 5168 B16R2.1293 CSCOc1ccc2cccc(c2c1)C 34a_200000091600_100011218213 [1,1,0,0,0,0|1,0,0]=3 5169 B16R2.1293 CSCOc1ccc2cccc(c2c1)F 34a_100000091619_100011218213 [1,1,0,0,0,0|1,0,0]=3 5170 B16R2.1293 CSCOc1ccc2cccc(c2c1)N 34a_100000034012_100011218213 [1,1,0,0,0,0|1,0,0]=3 5171 B16R2.1293 CSCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011218213 [1,1,0,0,0,0|2,0,0]=4 5172 B16R2.1293 CSCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011218213 [1,1,0,0,0,0|2,0,0]=4 5173 B16R2.1293 CSCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011218213 [1,1,0,0,0,0|2,0,0]=4 5174 B16R2.1293 CSCSc1ccc2cccc(c2c1)C 62a_100011218213_100010089936 [1,1,0,0,0,0|1,1,0]=4 5175 B16R2.1293 CSCSc1ccc2cccc(c2c1)N 62a_100010090012_100011218213 [1,1,0,0,0,0|1,1,0]=4 5176 B16R2.1293 CSCSc1ccc2cccc(c2c1)N 62a_100011218213_100010090012 [1,1,0,0,0,0|1,1,0]=4 5177 B16R2.1293 CSCSc1ccc2cccc(c2c1)O 62a_100011218213_100010089991 [1,1,0,0,0,0|1,1,0]=4 5178 B16R2.1293 Cc1cccc2c1cc(cc2)OCC#N 7a_200000091600_100011215382 [1,1,0,0,0,0|1,0,1]=4 5179 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 34a_200000091600_200009817547 [1,1,0,0,0,0|1,0,1]=4 5180 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 7a_200000091600_200015260668 [1,1,0,0,0,0|1,0,1]=4 5181 B16R2.1293 Cc1cccc2c1cc(cc2)OCCF 34a_200000091600_100011217306 [1,1,0,0,0,0|1,0,0]=3 5182 B16R2.1293 Cc1cccc2c1cc(cc2)OCCF 7a_200000091600_100011217306 [1,1,0,0,0,0|1,0,0]=3 5183 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 34a_200000091600_100000211926 [1,1,0,0,0,0|1,0,0]=3 5184 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 7a_200000091600_100000211926 [1,1,0,0,0,0|1,0,0]=3 5185 B16R2.1293 Cc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010089936 [1,1,0,0,0,0|1,1,0]=4 5186 B16R2.1293 Cc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010089936 [1,1,0,0,0,0|1,1,0]=4 5187 B16R2.1293 FCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011217306 [1,1,0,0,0,0|1,0,0]=3 5188 B16R2.1293 FCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011217306 [1,1,0,0,0,0|1,0,0]=3 5189 B16R2.1293 FCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011217306 [1,1,0,0,0,0|1,0,0]=3 5190 B16R2.1293 FCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011217306 [1,1,0,0,0,0|1,0,0]=3 5191 B16R2.1293 FCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011217306 [1,1,0,0,0,0|2,0,0]=4 5192 B16R2.1293 FCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011217306 [1,1,0,0,0,0|2,0,0]=4 5193 B16R2.1293 FCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011217306 [1,1,0,0,0,0|2,0,0]=4 5194 B16R2.1293 FCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011217306 [1,1,0,0,0,0|2,0,0]=4 5195 B16R2.1293 FCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011217306 [1,1,0,0,0,0|2,0,0]=4 5196 B16R2.1293 FCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011217306 [1,1,0,0,0,0|2,0,0]=4 5197 B16R2.1293 N#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215382 [1,1,0,0,0,0|1,0,1]=4 5198 B16R2.1293 N#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215382 [1,1,0,0,0,0|1,0,1]=4 5199 B16R2.1293 N#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100011215382 [1,1,0,0,0,0|1,0,1]=4 5200 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 34a_100000034012_200009817547 [1,1,0,0,0,0|1,0,1]=4 5201 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 7a_100000034012_200015260668 [1,1,0,0,0,0|1,0,1]=4 5202 B16R2.1293 Nc1cccc2c1cc(cc2)OCCF 34a_100000034012_100011217306 [1,1,0,0,0,0|1,0,0]=3 5203 B16R2.1293 Nc1cccc2c1cc(cc2)OCCF 7a_100000034012_100011217306 [1,1,0,0,0,0|1,0,0]=3 5204 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 34a_100000034012_100000211926 [1,1,0,0,0,0|1,0,0]=3 5205 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 7a_100000034012_100000211926 [1,1,0,0,0,0|1,0,0]=3 5206 B16R2.1293 Nc1cccc2c1cc(cc2)SCCF 62a_100010090012_100011217306 [1,1,0,0,0,0|1,1,0]=4 5207 B16R2.1293 Nc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010090012 [1,1,0,0,0,0|1,1,0]=4 5208 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010090012 [1,1,0,0,0,0|1,1,0]=4 5209 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100010090012_100000211926 [1,1,0,0,0,0|1,1,0]=4 5210 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_200009817547 [1,1,0,0,0,0|1,0,1]=4 5211 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_200015260668 [1,1,0,0,0,0|1,0,1]=4 5212 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 34a_100000091619_200009817547 [1,1,0,0,0,0|1,0,1]=4 5213 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 7a_100000091619_200015260668 [1,1,0,0,0,0|1,0,1]=4 5214 B16R2.1293 OCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000211926 [1,1,0,0,0,0|2,0,0]=4 5215 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000211926 [1,1,0,0,0,0|1,0,0]=3 5216 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000211926 [1,1,0,0,0,0|1,0,0]=3 5217 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000211926 [1,1,0,0,0,0|1,0,0]=3 5218 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000211926 [1,1,0,0,0,0|1,0,0]=3 5219 B16R2.1293 OCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000211926 [1,1,0,0,0,0|2,0,0]=4 5220 B16R2.1293 OCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000211926 [1,1,0,0,0,0|2,0,0]=4 5221 B16R2.1293 OCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000211926 [1,1,0,0,0,0|2,0,0]=4 5222 B16R2.1293 OCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000211926 [1,1,0,0,0,0|2,0,0]=4 5223 B16R2.1293 OCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000211926 [1,1,0,0,0,0|2,0,0]=4 5224 B16R2.1293 OCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000211926 [1,1,0,0,0,0|2,0,0]=4 5225 B16R2.1293 OCCSc1ccc2cccc(c2c1)O 62a_100000211926_100010089991 [1,1,0,0,0,0|1,1,0]=4 5226 B16R2.1293 Oc1cccc2c1cc(cc2)NCCF 34a_100132313934_100011217306 [1,1,0,0,0,0|2,0,0]=4 5227 B16R2.1293 Oc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010089991 [1,1,0,0,0,0|1,1,0]=4 5228 B16R2.2441 BrCCOCc1cc2ccccc2cn1 34a_100000211926_100009869231 [1,1,0,0,0,0|2,0,0]=4 5229 B16R2.2441 BrCCOCc1ccc2ccccc2c1 34a_100000211926_100011216711 [1,1,0,0,0,0|1,0,0]=3 5230 B16R2.2441 BrCCOCc1ccc2ccccc2n1 34a_100000211926_100000737579 [1,1,0,0,0,0|2,0,0]=4 5231 B16R2.2441 BrCCOCc1ccc2cnccc2c1 34a_100000211926_100020605334 [1,1,0,0,0,0|2,0,0]=4 5232 B16R2.2441 BrCCOCc1ccc2ncccc2c1 34a_100000211926_100000703657 [1,1,0,0,0,0|2,0,0]=4 5233 B16R2.2441 C#CCCNc1ccc2ccccc2c1 34a_100000211940_100000688953 [1,1,0,0,0,0|1,0,1]=4 5234 B16R2.2441 C#CCCNc1ccc2ccccc2c1 7a_100000211940_100000688953 [1,1,0,0,0,0|1,0,1]=4 5235 B16R2.2441 C#CCCOc1ccc2ccccc2c1 34a_100000185828_100000688953 [1,1,0,0,0,0|0,0,1]=3 5236 B16R2.2441 C#CCCOc1ccc2ccccc2c1 7a_100000185828_100000688953 [1,1,0,0,0,0|0,0,1]=3 5237 B16R2.2441 C#CCCOc1ccc2cccnc2c1 34a_100011216045_100000688953 [1,1,0,0,0,0|1,0,1]=4 5238 B16R2.2441 C#CCCOc1ccc2ccncc2c1 7a_100000752006_100000688953 [1,1,0,0,0,0|1,0,1]=4 5239 B16R2.2441 C#CCCOc1ccc2cnccc2c1 34a_100000046372_100000688953 [1,1,0,0,0,0|1,0,1]=4 5240 B16R2.2441 C#CCCOc1ccc2cnccc2c1 7a_100000046372_100000688953 [1,1,0,0,0,0|1,0,1]=4 5241 B16R2.2441 C#CCCOc1ccc2ncccc2c1 34a_100011215586_100000688953 [1,1,0,0,0,0|1,0,1]=4 5242 B16R2.2441 C#CCCOc1ccc2ncccc2c1 7a_100011215586_100000688953 [1,1,0,0,0,0|1,0,1]=4 5243 B16R2.2441 C#CCCOc1cnc2ccccc2c1 34a_100011934006_100000688953 [1,1,0,0,0,0|1,0,1]=4 5244 B16R2.2441 C#CCCOc1cnc2ccccc2c1 7a_100011934006_100000688953 [1,1,0,0,0,0|1,0,1]=4 5245 B16R2.2441 C#CCCSc1ccc2ccccc2c1 62a_100000688953_100000233703 [1,1,0,0,0,0|0,1,1]=4 5246 B16R2.2441 C#CCOCc1ccc2ccccc2c1 34a_100000210247_100011216711 [1,1,0,0,0,0|0,0,2]=4 5247 B16R2.2441 C#CCOCc1ccc2ccccc2c1 34a_100011215330_100000184674 [1,1,0,0,0,0|0,0,2]=4 5248 B16R2.2441 C#CCOCc1ccc2ccccc2c1 7a_100011215330_100000038162 [1,1,0,0,0,0|0,0,2]=4 5249 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 34a_100000211940_100102629194 [1,1,0,0,0,0|1,0,1]=4 5250 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 7a_100000211940_100102629194 [1,1,0,0,0,0|1,0,1]=4 5251 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 34a_100000185828_100102629194 [1,1,0,0,0,0|0,0,1]=3 5252 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 7a_100000185828_100102629194 [1,1,0,0,0,0|0,0,1]=3 5253 B16R2.2441 C/C=C/COc1ccc2cccnc2c1 34a_100011216045_100102629194 [1,1,0,0,0,0|1,0,1]=4 5254 B16R2.2441 C/C=C/COc1ccc2ccncc2c1 7a_100000752006_100102629194 [1,1,0,0,0,0|1,0,1]=4 5255 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 34a_100000046372_100102629194 [1,1,0,0,0,0|1,0,1]=4 5256 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 7a_100000046372_100102629194 [1,1,0,0,0,0|1,0,1]=4 5257 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 34a_100011215586_100102629194 [1,1,0,0,0,0|1,0,1]=4 5258 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 7a_100011215586_100102629194 [1,1,0,0,0,0|1,0,1]=4 5259 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 34a_100011934006_100102629194 [1,1,0,0,0,0|1,0,1]=4 5260 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 7a_100011934006_100102629194 [1,1,0,0,0,0|1,0,1]=4 5261 B16R2.2441 C/C=C/CSc1ccc2ccccc2c1 62a_100102629194_100000233703 [1,1,0,0,0,0|0,1,1]=4 5262 B16R2.2441 C=CCCNc1ccc2ccccc2c1 34a_100000211940_100000754431 [1,1,0,0,0,0|1,0,1]=4 5263 B16R2.2441 C=CCCNc1ccc2ccccc2c1 7a_100000211940_100000754431 [1,1,0,0,0,0|1,0,1]=4 5264 B16R2.2441 C=CCCOc1ccc2ccccc2c1 34a_100000185828_100000754431 [1,1,0,0,0,0|0,0,1]=3 5265 B16R2.2441 C=CCCOc1ccc2ccccc2c1 7a_100000185828_100000754431 [1,1,0,0,0,0|0,0,1]=3 5266 B16R2.2441 C=CCCOc1ccc2cccnc2c1 34a_100011216045_100000754431 [1,1,0,0,0,0|1,0,1]=4 5267 B16R2.2441 C=CCCOc1ccc2ccncc2c1 7a_100000752006_100000754431 [1,1,0,0,0,0|1,0,1]=4 5268 B16R2.2441 C=CCCOc1ccc2cnccc2c1 34a_100000046372_100000754431 [1,1,0,0,0,0|1,0,1]=4 5269 B16R2.2441 C=CCCOc1ccc2cnccc2c1 7a_100000046372_100000754431 [1,1,0,0,0,0|1,0,1]=4 5270 B16R2.2441 C=CCCOc1ccc2ncccc2c1 34a_100011215586_100000754431 [1,1,0,0,0,0|1,0,1]=4 5271 B16R2.2441 C=CCCOc1ccc2ncccc2c1 7a_100011215586_100000754431 [1,1,0,0,0,0|1,0,1]=4 5272 B16R2.2441 C=CCCOc1cnc2ccccc2c1 34a_100011934006_100000754431 [1,1,0,0,0,0|1,0,1]=4 5273 B16R2.2441 C=CCCOc1cnc2ccccc2c1 7a_100011934006_100000754431 [1,1,0,0,0,0|1,0,1]=4 5274 B16R2.2441 C=CCCSc1ccc2ccccc2c1 62a_100000754431_100000233703 [1,1,0,0,0,0|0,1,1]=4 5275 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_100011215330_100015514636 [1,1,0,0,0,0|0,0,2]=4 5276 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_200000210373_100011216711 [1,1,0,0,0,0|0,0,2]=4 5277 B16R2.2441 C=CCOCc1ccc2ccccc2c1 7a_100011215330_100015514636 [1,1,0,0,0,0|0,0,2]=4 5278 B16R2.2441 CC#CCNc1ccc2ccccc2c1 34a_100000211940_100000748600 [1,1,0,0,0,0|1,0,1]=4 5279 B16R2.2441 CC#CCNc1ccc2ccccc2c1 7a_100000211940_100000748600 [1,1,0,0,0,0|1,0,1]=4 5280 B16R2.2441 CC#CCOc1ccc2ccccc2c1 34a_100000185828_100000748600 [1,1,0,0,0,0|0,0,1]=3 5281 B16R2.2441 CC#CCOc1ccc2ccccc2c1 7a_100000185828_100000748600 [1,1,0,0,0,0|0,0,1]=3 5282 B16R2.2441 CC#CCOc1ccc2cccnc2c1 34a_100011216045_100000748600 [1,1,0,0,0,0|1,0,1]=4 5283 B16R2.2441 CC#CCOc1ccc2ccncc2c1 7a_100000752006_100000748600 [1,1,0,0,0,0|1,0,1]=4 5284 B16R2.2441 CC#CCOc1ccc2cnccc2c1 34a_100000046372_100000748600 [1,1,0,0,0,0|1,0,1]=4 5285 B16R2.2441 CC#CCOc1ccc2cnccc2c1 7a_100000046372_100000748600 [1,1,0,0,0,0|1,0,1]=4 5286 B16R2.2441 CC#CCOc1ccc2ncccc2c1 34a_100011215586_100000748600 [1,1,0,0,0,0|1,0,1]=4 5287 B16R2.2441 CC#CCOc1ccc2ncccc2c1 7a_100011215586_100000748600 [1,1,0,0,0,0|1,0,1]=4 5288 B16R2.2441 CC#CCOc1cnc2ccccc2c1 34a_100011934006_100000748600 [1,1,0,0,0,0|1,0,1]=4 5289 B16R2.2441 CC#CCOc1cnc2ccccc2c1 7a_100011934006_100000748600 [1,1,0,0,0,0|1,0,1]=4 5290 B16R2.2441 CC#CCSc1ccc2ccccc2c1 62a_100000748600_100000233703 [1,1,0,0,0,0|0,1,1]=4 5291 B16R2.2441 CC=CCNc1ccc2ccccc2c1 34a_100000211940_100000070051 [1,1,0,0,0,0|1,0,1]=4 5292 B16R2.2441 CC=CCNc1ccc2ccccc2c1 7a_100000211940_100000070051 [1,1,0,0,0,0|1,0,1]=4 5293 B16R2.2441 CC=CCOc1ccc2ccccc2c1 34a_100000185828_100000070051 [1,1,0,0,0,0|0,0,1]=3 5294 B16R2.2441 CC=CCOc1ccc2ccccc2c1 7a_100000185828_100000070051 [1,1,0,0,0,0|0,0,1]=3 5295 B16R2.2441 CC=CCOc1ccc2cccnc2c1 34a_100011216045_100000070051 [1,1,0,0,0,0|1,0,1]=4 5296 B16R2.2441 CC=CCOc1ccc2ccncc2c1 7a_100000752006_100000070051 [1,1,0,0,0,0|1,0,1]=4 5297 B16R2.2441 CC=CCOc1ccc2cnccc2c1 34a_100000046372_100000070051 [1,1,0,0,0,0|1,0,1]=4 5298 B16R2.2441 CC=CCOc1ccc2cnccc2c1 7a_100000046372_100000070051 [1,1,0,0,0,0|1,0,1]=4 5299 B16R2.2441 CC=CCOc1ccc2ncccc2c1 34a_100011215586_100000070051 [1,1,0,0,0,0|1,0,1]=4 5300 B16R2.2441 CC=CCOc1ccc2ncccc2c1 7a_100011215586_100000070051 [1,1,0,0,0,0|1,0,1]=4 5301 B16R2.2441 CC=CCOc1cnc2ccccc2c1 34a_100011934006_100000070051 [1,1,0,0,0,0|1,0,1]=4 5302 B16R2.2441 CC=CCOc1cnc2ccccc2c1 7a_100011934006_100000070051 [1,1,0,0,0,0|1,0,1]=4 5303 B16R2.2441 CC=CCSc1ccc2ccccc2c1 62a_100000070051_100000233703 [1,1,0,0,0,0|0,1,1]=4 5304 B16R2.2441 CCC=NNc1ccc2ccccc2c1 4a_100016987534_100000210100 [1,1,0,0,0,0|1,0,1]=4 5305 B16R2.2441 CCCC=Cc1cc2ccccc2cn1 271570a_100016258520_100000047361 [1,1,0,0,0,0|2,0,0]=4 5306 B16R2.2441 CCCC=Cc1ccc2ccccc2c1 271570a_100016258520_100000233703 [1,1,0,0,0,0|1,0,0]=3 5307 B16R2.2441 CCCC=Cc1ccc2ccccc2n1 271570a_100016258520_100011291633 [1,1,0,0,0,0|2,0,0]=4 5308 B16R2.2441 CCCC=Cc1ccc2cccnc2c1 271570a_100016258520_100009816655 [1,1,0,0,0,0|2,0,0]=4 5309 B16R2.2441 CCCC=Cc1ccc2ccncc2c1 271570a_100016258520_100000686496 [1,1,0,0,0,0|2,0,0]=4 5310 B16R2.2441 CCCC=Cc1ccc2cnccc2c1 271570a_100016258520_100009816743 [1,1,0,0,0,0|2,0,0]=4 5311 B16R2.2441 CCCC=Cc1ccc2ncccc2c1 271570a_100016258520_100000754243 [1,1,0,0,0,0|2,0,0]=4 5312 B16R2.2441 CCCC=Cc1cnc2ccccc2c1 271570a_100016258520_100000737414 [1,1,0,0,0,0|2,0,0]=4 5313 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [1,1,0,0,0,0|1,0,0]=3 5314 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [1,1,0,0,0,0|1,0,0]=3 5315 B16R2.2441 CCCCNc1ccc2ccccc2n1 27a_100000102301_100011291633 [1,1,0,0,0,0|2,0,0]=4 5316 B16R2.2441 CCCCNc1ccc2cccnc2c1 34a_100102887122_100000210210 [1,1,0,0,0,0|2,0,0]=4 5317 B16R2.2441 CCCCNc1ccc2cnccc2c1 34a_100000039641_100000210210 [1,1,0,0,0,0|2,0,0]=4 5318 B16R2.2441 CCCCNc1ccc2ncccc2c1 34a_100011198106_100000210210 [1,1,0,0,0,0|2,0,0]=4 5319 B16R2.2441 CCCCOc1ccc2ccccc2c1 34a_100000185828_100000210210 [1,1,0,0,0,0|0,0,0]=2 5320 B16R2.2441 CCCCOc1ccc2ccccc2c1 7a_100000185828_100000210211 [1,1,0,0,0,0|0,0,0]=2 5321 B16R2.2441 CCCCOc1ccc2cccnc2c1 34a_100011216045_100000210210 [1,1,0,0,0,0|1,0,0]=3 5322 B16R2.2441 CCCCOc1ccc2ccncc2c1 7a_100000752006_100000210211 [1,1,0,0,0,0|1,0,0]=3 5323 B16R2.2441 CCCCOc1ccc2cnccc2c1 34a_100000046372_100000210210 [1,1,0,0,0,0|1,0,0]=3 5324 B16R2.2441 CCCCOc1ccc2cnccc2c1 7a_100000046372_100000210211 [1,1,0,0,0,0|1,0,0]=3 5325 B16R2.2441 CCCCOc1ccc2ncccc2c1 34a_100011215586_100000210210 [1,1,0,0,0,0|1,0,0]=3 5326 B16R2.2441 CCCCOc1ccc2ncccc2c1 7a_100011215586_100000210211 [1,1,0,0,0,0|1,0,0]=3 5327 B16R2.2441 CCCCOc1ccc2nccnc2c1 34a_100000694412_100000210210 [1,1,0,0,0,0|2,0,0]=4 5328 B16R2.2441 CCCCOc1cnc2ccccc2c1 34a_100011934006_100000210210 [1,1,0,0,0,0|1,0,0]=3 5329 B16R2.2441 CCCCOc1cnc2ccccc2c1 7a_100011934006_100000210211 [1,1,0,0,0,0|1,0,0]=3 5330 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100000210211_100000047361 [1,1,0,0,0,0|1,1,0]=4 5331 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100009816522_100000210210 [1,1,0,0,0,0|1,1,0]=4 5332 B16R2.2441 CCCCSc1ccc2ccccc2c1 62a_100000210211_100000233703 [1,1,0,0,0,0|0,1,0]=3 5333 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100000210211_100011291633 [1,1,0,0,0,0|1,1,0]=4 5334 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100011291633_100000210210 [1,1,0,0,0,0|1,1,0]=4 5335 B16R2.2441 CCCCSc1ccc2cccnc2c1 62a_100000210211_100009816655 [1,1,0,0,0,0|1,1,0]=4 5336 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000210211_100000686496 [1,1,0,0,0,0|1,1,0]=4 5337 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000686496_100000210210 [1,1,0,0,0,0|1,1,0]=4 5338 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100000210211_100009816743 [1,1,0,0,0,0|1,1,0]=4 5339 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100009816743_100000210210 [1,1,0,0,0,0|1,1,0]=4 5340 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100000210211_100011215947 [1,1,0,0,0,0|1,1,0]=4 5341 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100011215947_100000210210 [1,1,0,0,0,0|1,1,0]=4 5342 B16R2.2441 CCCCSc1cnc2ccccc2c1 62a_100000210211_100000737414 [1,1,0,0,0,0|1,1,0]=4 5343 B16R2.2441 CCCNCc1cc2ccccc2cn1 207a_100020643023_100000059776 [1,1,0,0,0,0|2,0,0]=4 5344 B16R2.2441 CCCNCc1cc2ccccc2cn1 270004a_100020643023_100000059776 [1,1,0,0,0,0|2,0,0]=4 5345 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [1,1,0,0,0,0|1,0,0]=3 5346 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [1,1,0,0,0,0|1,0,0]=3 5347 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [1,1,0,0,0,0|1,0,0]=3 5348 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [1,1,0,0,0,0|1,0,0]=3 5349 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [1,1,0,0,0,0|2,0,0]=4 5350 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [1,1,0,0,0,0|2,0,0]=4 5351 B16R2.2441 CCCNCc1ccc2cccnc2c1 207a_100020643023_100011784159 [1,1,0,0,0,0|2,0,0]=4 5352 B16R2.2441 CCCNCc1ccc2cccnc2c1 270004a_100020643023_100011784159 [1,1,0,0,0,0|2,0,0]=4 5353 B16R2.2441 CCCNCc1ccc2cnccc2c1 207a_100020643023_100000068276 [1,1,0,0,0,0|2,0,0]=4 5354 B16R2.2441 CCCNCc1ccc2cnccc2c1 270004a_100020643023_100000068276 [1,1,0,0,0,0|2,0,0]=4 5355 B16R2.2441 CCCNCc1ccc2ncccc2c1 207a_100020643023_100000211315 [1,1,0,0,0,0|2,0,0]=4 5356 B16R2.2441 CCCNCc1ccc2ncccc2c1 270004a_100020643023_100000211315 [1,1,0,0,0,0|2,0,0]=4 5357 B16R2.2441 CCCNCc1ccc2ncccc2c1 34a_100000238500_100000210303 [1,1,0,0,0,0|2,0,0]=4 5358 B16R2.2441 CCCNCc1cnc2ccccc2c1 207a_100020643023_100000750898 [1,1,0,0,0,0|2,0,0]=4 5359 B16R2.2441 CCCNCc1cnc2ccccc2c1 270004a_100020643023_100000750898 [1,1,0,0,0,0|2,0,0]=4 5360 B16R2.2441 CCCNCc1cnc2ccccc2c1 34a_100000742225_100000210303 [1,1,0,0,0,0|2,0,0]=4 5361 B16R2.2441 CCCOCc1cc2ccccc2cn1 34a_100000210258_100009869231 [1,1,0,0,0,0|1,0,0]=3 5362 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [1,1,0,0,0,0|0,0,0]=2 5363 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [1,1,0,0,0,0|0,0,0]=2 5364 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [1,1,0,0,0,0|0,0,0]=2 5365 B16R2.2441 CCCOCc1ccc2ccccc2n1 34a_100000210258_100000737579 [1,1,0,0,0,0|1,0,0]=3 5366 B16R2.2441 CCCOCc1ccc2cnccc2c1 34a_100000210258_100020605334 [1,1,0,0,0,0|1,0,0]=3 5367 B16R2.2441 CCCOCc1ccc2ncccc2c1 34a_100000210258_100000703657 [1,1,0,0,0,0|1,0,0]=3 5368 B16R2.2441 CCCOCc1ccc2ncccc2c1 34a_100011315636_100000210303 [1,1,0,0,0,0|1,0,0]=3 5369 B16R2.2441 CCCOCc1cnc2ccccc2c1 34a_100011258773_100000210303 [1,1,0,0,0,0|1,0,0]=3 5370 B16R2.2441 CCCOCc1ncc2ccccc2n1 34a_100000210258_100009868571 [1,1,0,0,0,0|2,0,0]=4 5371 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100000210303_100009869231 [1,1,0,0,0,0|1,1,0]=4 5372 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100009869231_100000210303 [1,1,0,0,0,0|1,1,0]=4 5373 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [1,1,0,0,0,0|0,1,0]=3 5374 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [1,1,0,0,0,0|0,1,0]=3 5375 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000210303_100000737579 [1,1,0,0,0,0|1,1,0]=4 5376 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000737579_100000210303 [1,1,0,0,0,0|1,1,0]=4 5377 B16R2.2441 CCCSCc1ccc2cnccc2c1 62a_100000210303_100020605334 [1,1,0,0,0,0|1,1,0]=4 5378 B16R2.2441 CCCSCc1ccc2cnccc2c1 62a_100020605334_100000210303 [1,1,0,0,0,0|1,1,0]=4 5379 B16R2.2441 CCCSCc1ccc2ncccc2c1 62a_100000210303_100000703657 [1,1,0,0,0,0|1,1,0]=4 5380 B16R2.2441 CCCSCc1ccc2ncccc2c1 62a_100000703657_100000210303 [1,1,0,0,0,0|1,1,0]=4 5381 B16R2.2441 CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210202 [1,1,0,0,0,0|1,0,0]=3 5382 B16R2.2441 CCNCCc1ccc2ccccc2c1 34a_100000746582_100000210202 [1,1,0,0,0,0|1,0,0]=3 5383 B16R2.2441 CCNN=Cc1ccc2ccccc2c1 4a_100000756455_100000211584 [1,1,0,0,0,0|2,0,0]=4 5384 B16R2.2441 CCOC=Cc1ccc2ccccc2c1 271570a_100016256518_100000233703 [1,1,0,0,0,0|1,0,1]=4 5385 B16R2.2441 CCOCCc1ccc2ccccc2c1 34a_100000755654_100000210202 [1,1,0,0,0,0|1,0,0]=3 5386 B16R2.2441 CCOCCc1ccc2ccccc2c1 7a_100000755654_100000210202 [1,1,0,0,0,0|1,0,0]=3 5387 B16R2.2441 CCOCCc1ccc2ccccc2n1 34a_100011996444_100000210202 [1,1,0,0,0,0|2,0,0]=4 5388 B16R2.2441 CCOCSc1cc2ccccc2cn1 62a_100000739092_100000047361 [1,1,0,0,0,0|1,1,0]=4 5389 B16R2.2441 CCOCSc1cc2ccccc2cn1 62a_100009816522_100000739092 [1,1,0,0,0,0|1,1,0]=4 5390 B16R2.2441 CCOCSc1ccc2ccccc2c1 62a_100000739092_100000233703 [1,1,0,0,0,0|0,1,0]=3 5391 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100000739092_100011291633 [1,1,0,0,0,0|1,1,0]=4 5392 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100011291633_100000739092 [1,1,0,0,0,0|1,1,0]=4 5393 B16R2.2441 CCOCSc1ccc2cccnc2c1 62a_100000739092_100009816655 [1,1,0,0,0,0|1,1,0]=4 5394 B16R2.2441 CCOCSc1ccc2ccncc2c1 62a_100000686496_100000739092 [1,1,0,0,0,0|1,1,0]=4 5395 B16R2.2441 CCOCSc1ccc2ccncc2c1 62a_100000739092_100000686496 [1,1,0,0,0,0|1,1,0]=4 5396 B16R2.2441 CCOCSc1ccc2cnccc2c1 62a_100000739092_100009816743 [1,1,0,0,0,0|1,1,0]=4 5397 B16R2.2441 CCOCSc1ccc2cnccc2c1 62a_100009816743_100000739092 [1,1,0,0,0,0|1,1,0]=4 5398 B16R2.2441 CCOCSc1ccc2ncccc2c1 62a_100000739092_100011215947 [1,1,0,0,0,0|1,1,0]=4 5399 B16R2.2441 CCOCSc1ccc2ncccc2c1 62a_100011215947_100000739092 [1,1,0,0,0,0|1,1,0]=4 5400 B16R2.2441 CCOCSc1cnc2ccccc2c1 62a_100000739092_100000737414 [1,1,0,0,0,0|1,1,0]=4 5401 B16R2.2441 COCC=Cc1ccc2ccccc2c1 271570a_100016286323_100000233703 [1,1,0,0,0,0|1,0,1]=4 5402 B16R2.2441 COCCNc1ccc2ccccc2c1 34a_100000211940_100011201679 [1,1,0,0,0,0|1,0,0]=3 5403 B16R2.2441 COCCNc1ccc2ccccc2c1 7a_100000211940_100000233755 [1,1,0,0,0,0|1,0,0]=3 5404 B16R2.2441 COCCNc1ccc2ccccc2n1 27a_100000209980_100011291633 [1,1,0,0,0,0|2,0,0]=4 5405 B16R2.2441 COCCNc1ccc2cccnc2c1 34a_100102887122_100011201679 [1,1,0,0,0,0|2,0,0]=4 5406 B16R2.2441 COCCNc1ccc2cnccc2c1 34a_100000039641_100011201679 [1,1,0,0,0,0|2,0,0]=4 5407 B16R2.2441 COCCNc1ccc2ncccc2c1 34a_100011198106_100011201679 [1,1,0,0,0,0|2,0,0]=4 5408 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_100000185828_100011201679 [1,1,0,0,0,0|0,0,0]=2 5409 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_200011219602_200000210301 [1,1,0,0,0,0|0,0,0]=2 5410 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_100000185828_100000233755 [1,1,0,0,0,0|0,0,0]=2 5411 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_200011219602_200000210301 [1,1,0,0,0,0|0,0,0]=2 5412 B16R2.2441 COCCOc1ccc2cccnc2c1 34a_100011216045_100011201679 [1,1,0,0,0,0|1,0,0]=3 5413 B16R2.2441 COCCOc1ccc2ccncc2c1 7a_100000752006_100000233755 [1,1,0,0,0,0|1,0,0]=3 5414 B16R2.2441 COCCOc1ccc2cnccc2c1 34a_100000046372_100011201679 [1,1,0,0,0,0|1,0,0]=3 5415 B16R2.2441 COCCOc1ccc2cnccc2c1 7a_100000046372_100000233755 [1,1,0,0,0,0|1,0,0]=3 5416 B16R2.2441 COCCOc1ccc2ncccc2c1 34a_100011215586_100011201679 [1,1,0,0,0,0|1,0,0]=3 5417 B16R2.2441 COCCOc1ccc2ncccc2c1 7a_100011215586_100000233755 [1,1,0,0,0,0|1,0,0]=3 5418 B16R2.2441 COCCOc1ccc2nccnc2c1 34a_100000694412_100011201679 [1,1,0,0,0,0|2,0,0]=4 5419 B16R2.2441 COCCOc1cnc2ccccc2c1 34a_100011934006_100011201679 [1,1,0,0,0,0|1,0,0]=3 5420 B16R2.2441 COCCOc1cnc2ccccc2c1 7a_100011934006_100000233755 [1,1,0,0,0,0|1,0,0]=3 5421 B16R2.2441 COCCSc1cc2ccccc2cn1 62a_100000233755_100000047361 [1,1,0,0,0,0|1,1,0]=4 5422 B16R2.2441 COCCSc1cc2ccccc2cn1 62a_100009816522_100000233755 [1,1,0,0,0,0|1,1,0]=4 5423 B16R2.2441 COCCSc1ccc2ccccc2c1 62a_100000233755_100000233703 [1,1,0,0,0,0|0,1,0]=3 5424 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100000233755_100011291633 [1,1,0,0,0,0|1,1,0]=4 5425 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100011291633_100000233755 [1,1,0,0,0,0|1,1,0]=4 5426 B16R2.2441 COCCSc1ccc2cccnc2c1 62a_100000233755_100009816655 [1,1,0,0,0,0|1,1,0]=4 5427 B16R2.2441 COCCSc1ccc2ccncc2c1 62a_100000233755_100000686496 [1,1,0,0,0,0|1,1,0]=4 5428 B16R2.2441 COCCSc1ccc2ccncc2c1 62a_100000686496_100000233755 [1,1,0,0,0,0|1,1,0]=4 5429 B16R2.2441 COCCSc1ccc2cnccc2c1 62a_100000233755_100009816743 [1,1,0,0,0,0|1,1,0]=4 5430 B16R2.2441 COCCSc1ccc2cnccc2c1 62a_100009816743_100000233755 [1,1,0,0,0,0|1,1,0]=4 5431 B16R2.2441 COCCSc1ccc2ncccc2c1 62a_100000233755_100011215947 [1,1,0,0,0,0|1,1,0]=4 5432 B16R2.2441 COCCSc1ccc2ncccc2c1 62a_100011215947_100000233755 [1,1,0,0,0,0|1,1,0]=4 5433 B16R2.2441 COCCSc1cnc2ccccc2c1 62a_100000233755_100000737414 [1,1,0,0,0,0|1,1,0]=4 5434 B16R2.2441 COCNCc1ccc2ccccc2c1 2230a_100000739491_100000766300 [1,1,0,0,0,0|2,0,0]=4 5435 B16R2.2441 COCSCc1ccc2ccccc2c1 62a_100000766300_100011216711 [1,1,0,0,0,0|1,1,0]=4 5436 B16R2.2441 COCSCc1ccc2ccccc2c1 62a_100011216711_100000766300 [1,1,0,0,0,0|1,1,0]=4 5437 B16R2.2441 CSCCNc1ccc2ccccc2c1 34a_100000211940_100000212216 [1,1,0,0,0,0|1,0,0]=3 5438 B16R2.2441 CSCCNc1ccc2ccccc2c1 7a_100000211940_100000212216 [1,1,0,0,0,0|1,0,0]=3 5439 B16R2.2441 CSCCNc1ccc2ccccc2n1 27a_100020590264_100011291633 [1,1,0,0,0,0|2,0,0]=4 5440 B16R2.2441 CSCCNc1ccc2cccnc2c1 34a_100102887122_100000212216 [1,1,0,0,0,0|2,0,0]=4 5441 B16R2.2441 CSCCNc1ccc2cnccc2c1 34a_100000039641_100000212216 [1,1,0,0,0,0|2,0,0]=4 5442 B16R2.2441 CSCCNc1ccc2ncccc2c1 34a_100011198106_100000212216 [1,1,0,0,0,0|2,0,0]=4 5443 B16R2.2441 CSCCOc1ccc2ccccc2c1 34a_100000185828_100000212216 [1,1,0,0,0,0|0,0,0]=2 5444 B16R2.2441 CSCCOc1ccc2ccccc2c1 7a_100000185828_100000212216 [1,1,0,0,0,0|0,0,0]=2 5445 B16R2.2441 CSCCOc1ccc2cccnc2c1 34a_100011216045_100000212216 [1,1,0,0,0,0|1,0,0]=3 5446 B16R2.2441 CSCCOc1ccc2ccncc2c1 7a_100000752006_100000212216 [1,1,0,0,0,0|1,0,0]=3 5447 B16R2.2441 CSCCOc1ccc2cnccc2c1 34a_100000046372_100000212216 [1,1,0,0,0,0|1,0,0]=3 5448 B16R2.2441 CSCCOc1ccc2cnccc2c1 7a_100000046372_100000212216 [1,1,0,0,0,0|1,0,0]=3 5449 B16R2.2441 CSCCOc1ccc2ncccc2c1 34a_100011215586_100000212216 [1,1,0,0,0,0|1,0,0]=3 5450 B16R2.2441 CSCCOc1ccc2ncccc2c1 7a_100011215586_100000212216 [1,1,0,0,0,0|1,0,0]=3 5451 B16R2.2441 CSCCOc1ccc2nccnc2c1 34a_100000694412_100000212216 [1,1,0,0,0,0|2,0,0]=4 5452 B16R2.2441 CSCCOc1cnc2ccccc2c1 34a_100011934006_100000212216 [1,1,0,0,0,0|1,0,0]=3 5453 B16R2.2441 CSCCOc1cnc2ccccc2c1 7a_100011934006_100000212216 [1,1,0,0,0,0|1,0,0]=3 5454 B16R2.2441 CSCCSc1cc2ccccc2cn1 62a_100000212216_100000047361 [1,1,0,0,0,0|1,1,0]=4 5455 B16R2.2441 CSCCSc1cc2ccccc2cn1 62a_100009816522_100000751147 [1,1,0,0,0,0|1,1,0]=4 5456 B16R2.2441 CSCCSc1ccc2ccccc2c1 62a_100000212216_100000233703 [1,1,0,0,0,0|0,1,0]=3 5457 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100000212216_100011291633 [1,1,0,0,0,0|1,1,0]=4 5458 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100011291633_100000751147 [1,1,0,0,0,0|1,1,0]=4 5459 B16R2.2441 CSCCSc1ccc2cccnc2c1 62a_100000212216_100009816655 [1,1,0,0,0,0|1,1,0]=4 5460 B16R2.2441 CSCCSc1ccc2ccncc2c1 62a_100000212216_100000686496 [1,1,0,0,0,0|1,1,0]=4 5461 B16R2.2441 CSCCSc1ccc2ccncc2c1 62a_100000686496_100000751147 [1,1,0,0,0,0|1,1,0]=4 5462 B16R2.2441 CSCCSc1ccc2cnccc2c1 62a_100000212216_100009816743 [1,1,0,0,0,0|1,1,0]=4 5463 B16R2.2441 CSCCSc1ccc2cnccc2c1 62a_100009816743_100000751147 [1,1,0,0,0,0|1,1,0]=4 5464 B16R2.2441 CSCCSc1ccc2ncccc2c1 62a_100000212216_100011215947 [1,1,0,0,0,0|1,1,0]=4 5465 B16R2.2441 CSCCSc1ccc2ncccc2c1 62a_100011215947_100000751147 [1,1,0,0,0,0|1,1,0]=4 5466 B16R2.2441 CSCCSc1cnc2ccccc2c1 62a_100000212216_100000737414 [1,1,0,0,0,0|1,1,0]=4 5467 B16R2.2441 CSCNCc1ccc2ccccc2c1 2230a_100000739491_100011218213 [1,1,0,0,0,0|2,0,0]=4 5468 B16R2.2441 CSCNCc1ccc2ccccc2c1 34a_100000739491_100011218213 [1,1,0,0,0,0|2,0,0]=4 5469 B16R2.2441 CSCOCc1ccc2ccccc2c1 34a_100011215330_100011218213 [1,1,0,0,0,0|1,0,0]=3 5470 B16R2.2441 CSCOCc1ccc2ncccc2c1 34a_100011315636_100011218213 [1,1,0,0,0,0|2,0,0]=4 5471 B16R2.2441 CSCOCc1cnc2ccccc2c1 34a_100011258773_100011218213 [1,1,0,0,0,0|2,0,0]=4 5472 B16R2.2441 CSCSCc1ccc2ccccc2c1 62a_100011216711_100011218213 [1,1,0,0,0,0|1,1,0]=4 5473 B16R2.2441 CSCSCc1ccc2ccccc2c1 62a_100011218213_100011216711 [1,1,0,0,0,0|1,1,0]=4 5474 B16R2.2441 FCCCNc1ccc2ccccc2c1 34a_100000211940_100011934791 [1,1,0,0,0,0|1,0,0]=3 5475 B16R2.2441 FCCCNc1ccc2ccccc2c1 7a_100000211940_100011934791 [1,1,0,0,0,0|1,0,0]=3 5476 B16R2.2441 FCCCNc1ccc2ccccc2n1 27a_100015189416_100011291633 [1,1,0,0,0,0|2,0,0]=4 5477 B16R2.2441 FCCCNc1ccc2cccnc2c1 34a_100102887122_100011934791 [1,1,0,0,0,0|2,0,0]=4 5478 B16R2.2441 FCCCNc1ccc2cnccc2c1 34a_100000039641_100011934791 [1,1,0,0,0,0|2,0,0]=4 5479 B16R2.2441 FCCCNc1ccc2ncccc2c1 34a_100011198106_100011934791 [1,1,0,0,0,0|2,0,0]=4 5480 B16R2.2441 FCCCOc1ccc2ccccc2c1 34a_100000185828_100011934791 [1,1,0,0,0,0|0,0,0]=2 5481 B16R2.2441 FCCCOc1ccc2ccccc2c1 7a_100000185828_100011934791 [1,1,0,0,0,0|0,0,0]=2 5482 B16R2.2441 FCCCOc1ccc2cccnc2c1 34a_100011216045_100011934791 [1,1,0,0,0,0|1,0,0]=3 5483 B16R2.2441 FCCCOc1ccc2ccncc2c1 7a_100000752006_100011934791 [1,1,0,0,0,0|1,0,0]=3 5484 B16R2.2441 FCCCOc1ccc2cnccc2c1 34a_100000046372_100011934791 [1,1,0,0,0,0|1,0,0]=3 5485 B16R2.2441 FCCCOc1ccc2cnccc2c1 7a_100000046372_100011934791 [1,1,0,0,0,0|1,0,0]=3 5486 B16R2.2441 FCCCOc1ccc2ncccc2c1 34a_100011215586_100011934791 [1,1,0,0,0,0|1,0,0]=3 5487 B16R2.2441 FCCCOc1ccc2ncccc2c1 7a_100011215586_100011934791 [1,1,0,0,0,0|1,0,0]=3 5488 B16R2.2441 FCCCOc1ccc2nccnc2c1 34a_100000694412_100011934791 [1,1,0,0,0,0|2,0,0]=4 5489 B16R2.2441 FCCCOc1cnc2ccccc2c1 34a_100011934006_100011934791 [1,1,0,0,0,0|1,0,0]=3 5490 B16R2.2441 FCCCOc1cnc2ccccc2c1 7a_100011934006_100011934791 [1,1,0,0,0,0|1,0,0]=3 5491 B16R2.2441 FCCCSc1cc2ccccc2cn1 62a_100009816522_100011934791 [1,1,0,0,0,0|1,1,0]=4 5492 B16R2.2441 FCCCSc1cc2ccccc2cn1 62a_100011934791_100000047361 [1,1,0,0,0,0|1,1,0]=4 5493 B16R2.2441 FCCCSc1ccc2ccccc2c1 62a_100011934791_100000233703 [1,1,0,0,0,0|0,1,0]=3 5494 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011291633_100011934791 [1,1,0,0,0,0|1,1,0]=4 5495 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011934791_100011291633 [1,1,0,0,0,0|1,1,0]=4 5496 B16R2.2441 FCCCSc1ccc2cccnc2c1 62a_100011934791_100009816655 [1,1,0,0,0,0|1,1,0]=4 5497 B16R2.2441 FCCCSc1ccc2ccncc2c1 62a_100000686496_100011934791 [1,1,0,0,0,0|1,1,0]=4 5498 B16R2.2441 FCCCSc1ccc2ccncc2c1 62a_100011934791_100000686496 [1,1,0,0,0,0|1,1,0]=4 5499 B16R2.2441 FCCCSc1ccc2cnccc2c1 62a_100009816743_100011934791 [1,1,0,0,0,0|1,1,0]=4 5500 B16R2.2441 FCCCSc1ccc2cnccc2c1 62a_100011934791_100009816743 [1,1,0,0,0,0|1,1,0]=4 5501 B16R2.2441 FCCCSc1ccc2ncccc2c1 62a_100011215947_100011934791 [1,1,0,0,0,0|1,1,0]=4 5502 B16R2.2441 FCCCSc1ccc2ncccc2c1 62a_100011934791_100011215947 [1,1,0,0,0,0|1,1,0]=4 5503 B16R2.2441 FCCCSc1cnc2ccccc2c1 62a_100011934791_100000737414 [1,1,0,0,0,0|1,1,0]=4 5504 B16R2.2441 FCCNCc1ccc2ccccc2c1 2230a_100000739491_100011217306 [1,1,0,0,0,0|2,0,0]=4 5505 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000724931_100011216711 [1,1,0,0,0,0|2,0,0]=4 5506 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000739491_100011217306 [1,1,0,0,0,0|2,0,0]=4 5507 B16R2.2441 FCCOCc1ccc2ccccc2c1 34a_100011215330_100011217306 [1,1,0,0,0,0|1,0,0]=3 5508 B16R2.2441 FCCOCc1ccc2ccccc2c1 7a_100011215330_100011217306 [1,1,0,0,0,0|1,0,0]=3 5509 B16R2.2441 FCCOCc1ccc2ncccc2c1 34a_100011315636_100011217306 [1,1,0,0,0,0|2,0,0]=4 5510 B16R2.2441 FCCOCc1cnc2ccccc2c1 34a_100011258773_100011217306 [1,1,0,0,0,0|2,0,0]=4 5511 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011216711_100011217306 [1,1,0,0,0,0|1,1,0]=4 5512 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011217306_100011216711 [1,1,0,0,0,0|1,1,0]=4 5513 B16R2.2441 FCNCCc1ccc2ccccc2c1 34a_100000746582_100015361967 [1,1,0,0,0,0|2,0,0]=4 5514 B16R2.2441 FCOCCc1ccc2ccccc2c1 34a_100000755654_100015361967 [1,1,0,0,0,0|2,0,0]=4 5515 B16R2.2441 FCOCCc1ccc2ccccc2c1 7a_100000755654_100015361967 [1,1,0,0,0,0|2,0,0]=4 5516 B16R2.2441 N#CCCNc1ccc2ccccc2c1 7a_100000211940_100000184422 [1,1,0,0,0,0|1,0,1]=4 5517 B16R2.2441 N#CCCOc1ccc2ccccc2c1 7a_100000185828_100000184422 [1,1,0,0,0,0|0,0,1]=3 5518 B16R2.2441 N#CCCOc1ccc2ccncc2c1 7a_100000752006_100000184422 [1,1,0,0,0,0|1,0,1]=4 5519 B16R2.2441 N#CCCOc1ccc2cnccc2c1 7a_100000046372_100000184422 [1,1,0,0,0,0|1,0,1]=4 5520 B16R2.2441 N#CCCOc1ccc2ncccc2c1 7a_100011215586_100000184422 [1,1,0,0,0,0|1,0,1]=4 5521 B16R2.2441 N#CCCOc1cnc2ccccc2c1 7a_100011934006_100000184422 [1,1,0,0,0,0|1,0,1]=4 5522 B16R2.2441 N#CCCSc1ccc2ccccc2c1 62a_100011215226_100000233703 [1,1,0,0,0,0|0,1,1]=4 5523 B16R2.2441 N#CCOCc1ccc2ccccc2c1 7a_100011215330_100011215382 [1,1,0,0,0,0|1,0,1]=4 5524 B16R2.2441 NCCOCc1cc2ccccc2cn1 34a_100000210304_100009869231 [1,1,0,0,0,0|2,0,0]=4 5525 B16R2.2441 NCCOCc1ccc2ccccc2c1 34a_100000210304_100011216711 [1,1,0,0,0,0|1,0,0]=3 5526 B16R2.2441 NCCOCc1ccc2ccccc2n1 34a_100000210304_100000737579 [1,1,0,0,0,0|2,0,0]=4 5527 B16R2.2441 NCCOCc1ccc2cnccc2c1 34a_100000210304_100020605334 [1,1,0,0,0,0|2,0,0]=4 5528 B16R2.2441 NCCOCc1ccc2ncccc2c1 34a_100000210304_100000703657 [1,1,0,0,0,0|2,0,0]=4 5529 B16R2.2441 O=CCOCc1ccc2ccccc2c1 34a_100011215330_200009817547 [1,1,0,0,0,0|1,0,1]=4 5530 B16R2.2441 O=CCOCc1ccc2ccccc2c1 7a_100011215330_200015260668 [1,1,0,0,0,0|1,0,1]=4 5531 B16R2.2441 OCCCNc1ccc2ccccc2c1 34a_100000211940_100000230001 [1,1,0,0,0,0|1,0,0]=3 5532 B16R2.2441 OCCCNc1ccc2ccccc2c1 7a_100000211940_100011215043 [1,1,0,0,0,0|1,0,0]=3 5533 B16R2.2441 OCCCNc1ccc2ccccc2n1 27a_100000182051_100011291633 [1,1,0,0,0,0|2,0,0]=4 5534 B16R2.2441 OCCCNc1ccc2cccnc2c1 34a_100102887122_100000230001 [1,1,0,0,0,0|2,0,0]=4 5535 B16R2.2441 OCCCNc1ccc2cnccc2c1 34a_100000039641_100000230001 [1,1,0,0,0,0|2,0,0]=4 5536 B16R2.2441 OCCCNc1ccc2ncccc2c1 34a_100011198106_100000230001 [1,1,0,0,0,0|2,0,0]=4 5537 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [1,1,0,0,0,0|0,0,0]=2 5538 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [1,1,0,0,0,0|0,0,0]=2 5539 B16R2.2441 OCCCOc1ccc2cccnc2c1 34a_100011216045_100000230001 [1,1,0,0,0,0|1,0,0]=3 5540 B16R2.2441 OCCCOc1ccc2ccncc2c1 7a_100000752006_100011215043 [1,1,0,0,0,0|1,0,0]=3 5541 B16R2.2441 OCCCOc1ccc2cnccc2c1 34a_100000046372_100000230001 [1,1,0,0,0,0|1,0,0]=3 5542 B16R2.2441 OCCCOc1ccc2cnccc2c1 7a_100000046372_100011215043 [1,1,0,0,0,0|1,0,0]=3 5543 B16R2.2441 OCCCOc1ccc2ncccc2c1 34a_100011215586_100000230001 [1,1,0,0,0,0|1,0,0]=3 5544 B16R2.2441 OCCCOc1ccc2ncccc2c1 7a_100011215586_100011215043 [1,1,0,0,0,0|1,0,0]=3 5545 B16R2.2441 OCCCOc1ccc2nccnc2c1 34a_100000694412_100000230001 [1,1,0,0,0,0|2,0,0]=4 5546 B16R2.2441 OCCCOc1cnc2ccccc2c1 34a_100011934006_100000230001 [1,1,0,0,0,0|1,0,0]=3 5547 B16R2.2441 OCCCOc1cnc2ccccc2c1 7a_100011934006_100011215043 [1,1,0,0,0,0|1,0,0]=3 5548 B16R2.2441 OCCCSc1cc2ccccc2cn1 62a_100009816522_100011215043 [1,1,0,0,0,0|1,1,0]=4 5549 B16R2.2441 OCCCSc1cc2ccccc2cn1 62a_100011215043_100000047361 [1,1,0,0,0,0|1,1,0]=4 5550 B16R2.2441 OCCCSc1ccc2ccccc2c1 62a_100011215043_100000233703 [1,1,0,0,0,0|0,1,0]=3 5551 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011215043_100011291633 [1,1,0,0,0,0|1,1,0]=4 5552 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011291633_100011215043 [1,1,0,0,0,0|1,1,0]=4 5553 B16R2.2441 OCCCSc1ccc2cccnc2c1 62a_100011215043_100009816655 [1,1,0,0,0,0|1,1,0]=4 5554 B16R2.2441 OCCCSc1ccc2ccncc2c1 62a_100000686496_100011215043 [1,1,0,0,0,0|1,1,0]=4 5555 B16R2.2441 OCCCSc1ccc2ccncc2c1 62a_100011215043_100000686496 [1,1,0,0,0,0|1,1,0]=4 5556 B16R2.2441 OCCCSc1ccc2cnccc2c1 62a_100009816743_100011215043 [1,1,0,0,0,0|1,1,0]=4 5557 B16R2.2441 OCCCSc1ccc2cnccc2c1 62a_100011215043_100009816743 [1,1,0,0,0,0|1,1,0]=4 5558 B16R2.2441 OCCCSc1ccc2ncccc2c1 62a_100011215043_100011215947 [1,1,0,0,0,0|1,1,0]=4 5559 B16R2.2441 OCCCSc1ccc2ncccc2c1 62a_100011215947_100011215043 [1,1,0,0,0,0|1,1,0]=4 5560 B16R2.2441 OCCCSc1cnc2ccccc2c1 62a_100011215043_100000737414 [1,1,0,0,0,0|1,1,0]=4 5561 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [1,1,0,0,0,0|2,0,0]=4 5562 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [1,1,0,0,0,0|2,0,0]=4 5563 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [1,1,0,0,0,0|2,0,0]=4 5564 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [1,1,0,0,0,0|2,0,0]=4 5565 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [1,1,0,0,0,0|2,0,0]=4 5566 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [1,1,0,0,0,0|2,0,0]=4 5567 B16R2.2441 OCCOCc1ccc2ccccc2c1 34a_100011215330_100000211926 [1,1,0,0,0,0|1,0,0]=3 5568 B16R2.2441 OCCOCc1ccc2ccccc2c1 7a_100011215330_100000211926 [1,1,0,0,0,0|1,0,0]=3 5569 B16R2.2441 OCCOCc1ccc2ncccc2c1 34a_100011315636_100000211926 [1,1,0,0,0,0|2,0,0]=4 5570 B16R2.2441 OCCOCc1cnc2ccccc2c1 34a_100011258773_100000211926 [1,1,0,0,0,0|2,0,0]=4 5571 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100000211926_100011216711 [1,1,0,0,0,0|1,1,0]=4 5572 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100011216711_100000211926 [1,1,0,0,0,0|1,1,0]=4 5573 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 34a_200011219602_200025704644 [1,1,0,0,0,0|0,0,0]=2 5574 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 7a_200011219602_200025704644 [1,1,0,0,0,0|0,0,0]=2 5575 B16R2.2942 C#CCOc1ccc2ccccc2c1Br 34a_100000183829_100000184674 [1,1,0,0,0,0|0,0,2]=4 5576 B16R2.2942 C#CCOc1ccc2ccccc2c1Br 7a_100000183829_100000038162 [1,1,0,0,0,0|0,0,2]=4 5577 B16R2.2942 C#CCOc1ccc2ccccc2c1C 34a_100009830054_100000184674 [1,1,0,0,0,0|0,0,2]=4 5578 B16R2.2942 C#CCOc1ccc2ccccc2c1C 7a_100009830054_100000038162 [1,1,0,0,0,0|0,0,2]=4 5579 B16R2.2942 C#CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000184674 [1,1,0,0,0,0|0,0,2]=4 5580 B16R2.2942 C#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000038162 [1,1,0,0,0,0|0,0,2]=4 5581 B16R2.2942 C#CCOc1ccc2ccccc2c1I 34a_100000041551_100000184674 [1,1,0,0,0,0|0,0,2]=4 5582 B16R2.2942 C#CCOc1ccc2ccccc2c1I 7a_100000041551_100000038162 [1,1,0,0,0,0|0,0,2]=4 5583 B16R2.2942 C#CCOc1ccc2ccccc2c1N 34a_100000007056_100000184674 [1,1,0,0,0,0|0,0,2]=4 5584 B16R2.2942 C#CCOc1ccc2ccccc2c1N 7a_100000007056_100000038162 [1,1,0,0,0,0|0,0,2]=4 5585 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 34a_100000183829_100015514636 [1,1,0,0,0,0|0,0,2]=4 5586 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 7a_100000183829_100015514636 [1,1,0,0,0,0|0,0,2]=4 5587 B16R2.2942 C=CCOc1ccc2ccccc2c1C 34a_100009830054_100015514636 [1,1,0,0,0,0|0,0,2]=4 5588 B16R2.2942 C=CCOc1ccc2ccccc2c1C 7a_100009830054_100015514636 [1,1,0,0,0,0|0,0,2]=4 5589 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 34a_100000029778_100015514636 [1,1,0,0,0,0|0,0,2]=4 5590 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 7a_100000029778_100015514636 [1,1,0,0,0,0|0,0,2]=4 5591 B16R2.2942 C=CCOc1ccc2ccccc2c1I 34a_100000041551_100015514636 [1,1,0,0,0,0|0,0,2]=4 5592 B16R2.2942 C=CCOc1ccc2ccccc2c1I 7a_100000041551_100015514636 [1,1,0,0,0,0|0,0,2]=4 5593 B16R2.2942 C=CCOc1ccc2ccccc2c1N 34a_100000007056_100015514636 [1,1,0,0,0,0|0,0,2]=4 5594 B16R2.2942 C=CCOc1ccc2ccccc2c1N 7a_100000007056_100015514636 [1,1,0,0,0,0|0,0,2]=4 5595 B16R2.2942 CCCCc1c[nH]c2ccccc2c1=O 271570a_100020621405_100012339567 [1,1,0,0,0,0|2,0,0]=4 5596 B16R2.2942 CCCCc1ccc2ccccc2c1Br 271570a_100020621405_200010089984 [1,1,0,0,0,0|1,0,0]=3 5597 B16R2.2942 CCCCc1ccc2ccccc2c1C 271570a_100020621405_100010221197 [1,1,0,0,0,0|1,0,0]=3 5598 B16R2.2942 CCCCc1ccc2ccccc2c1F 271570a_100020621405_100009832041 [1,1,0,0,0,0|1,0,0]=3 5599 B16R2.2942 CCCCc1ccc2ccccc2c1N 271570a_100020621405_100009817101 [1,1,0,0,0,0|1,0,0]=3 5600 B16R2.2942 CCCCc1ccc2ccccc2c1O 271570a_100020621405_100009996032 [1,1,0,0,0,0|1,0,0]=3 5601 B16R2.2942 CCCCc1ccc2cccnc2c1C 271570a_100020621405_100010214467 [1,1,0,0,0,0|2,0,0]=4 5602 B16R2.2942 CCCCc1ccc2cccnc2c1F 271570a_100020621405_100010751467 [1,1,0,0,0,0|2,0,0]=4 5603 B16R2.2942 CCCCc1ccc2cccnc2c1O 271570a_100020621405_100009816563 [1,1,0,0,0,0|2,0,0]=4 5604 B16R2.2942 CCCCc1ccc2cnccc2c1N 271570a_100020621405_100010191621 [1,1,0,0,0,0|2,0,0]=4 5605 B16R2.2942 CCCCc1ccc2ncccc2c1C 271570a_100020621405_200010137439 [1,1,0,0,0,0|2,0,0]=4 5606 B16R2.2942 CCCCc1ccc2ncccc2c1N 271570a_100020621405_200010235790 [1,1,0,0,0,0|2,0,0]=4 5607 B16R2.2942 CCCCc1cnc2ccccc2c1Cl 271570a_100020621405_100012352519 [1,1,0,0,0,0|2,0,0]=4 5608 B16R2.2942 CCCCc1cnc2ccccc2c1N 271570a_100020621405_100009995562 [1,1,0,0,0,0|2,0,0]=4 5609 B16R2.2942 CCCCc1coc2ccccc2c1=O 271570a_100020621405_100009813851 [1,1,0,0,0,0|2,0,0]=4 5610 B16R2.2942 CCCCc1ncc2ccccc2c1N 271570a_100020621405_100000087573 [1,1,0,0,0,0|2,0,0]=4 5611 B16R2.2942 CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210303 [1,1,0,0,0,0|1,0,0]=3 5612 B16R2.2942 CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210303 [1,1,0,0,0,0|1,0,0]=3 5613 B16R2.2942 CCCNc1ccc2ccccc2c1O 34a_100000007060_100000210303 [1,1,0,0,0,0|1,0,0]=3 5614 B16R2.2942 CCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210303 [1,1,0,0,0,0|2,0,0]=4 5615 B16R2.2942 CCCNc1ccc2ncccc2c1Br 34a_200009995563_100000210303 [1,1,0,0,0,0|2,0,0]=4 5616 B16R2.2942 CCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210303 [1,1,0,0,0,0|0,0,0]=2 5617 B16R2.2942 CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210303 [1,1,0,0,0,0|0,0,0]=2 5618 B16R2.2942 CCCOc1ccc2ccccc2c1C 34a_100009830054_100000210303 [1,1,0,0,0,0|0,0,0]=2 5619 B16R2.2942 CCCOc1ccc2ccccc2c1C 7a_100009830054_100000210303 [1,1,0,0,0,0|0,0,0]=2 5620 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210303 [1,1,0,0,0,0|0,0,0]=2 5621 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210303 [1,1,0,0,0,0|0,0,0]=2 5622 B16R2.2942 CCCOc1ccc2ccccc2c1I 34a_100000041551_100000210303 [1,1,0,0,0,0|0,0,0]=2 5623 B16R2.2942 CCCOc1ccc2ccccc2c1I 7a_100000041551_100000210303 [1,1,0,0,0,0|0,0,0]=2 5624 B16R2.2942 CCCOc1ccc2ccccc2c1N 34a_100000007056_100000210303 [1,1,0,0,0,0|0,0,0]=2 5625 B16R2.2942 CCCOc1ccc2ccccc2c1N 7a_100000007056_100000210303 [1,1,0,0,0,0|0,0,0]=2 5626 B16R2.2942 CCCOc1ccc2cccnc2c1Br 34a_100010173343_100000210303 [1,1,0,0,0,0|1,0,0]=3 5627 B16R2.2942 CCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210303 [1,1,0,0,0,0|1,0,0]=3 5628 B16R2.2942 CCCOc1ccc2ccncc2c1Br 34a_200010115057_100000210303 [1,1,0,0,0,0|1,0,0]=3 5629 B16R2.2942 CCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210303 [1,1,0,0,0,0|1,0,0]=3 5630 B16R2.2942 CCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210303 [1,1,0,0,0,0|1,0,0]=3 5631 B16R2.2942 CCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210303 [1,1,0,0,0,0|1,0,0]=3 5632 B16R2.2942 CCCSc1c[nH]c2ccccc2c1=O 62a_100000210303_100012348052 [1,1,0,0,0,0|1,1,0]=4 5633 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100000210303_100010221197 [1,1,0,0,0,0|0,1,0]=3 5634 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100010221197_100000210303 [1,1,0,0,0,0|0,1,0]=3 5635 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100000210303_100009832041 [1,1,0,0,0,0|0,1,0]=3 5636 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100009832041_100000210303 [1,1,0,0,0,0|0,1,0]=3 5637 B16R2.2942 CCCSc1ccc2ccccc2c1N 62a_100009817101_100000210303 [1,1,0,0,0,0|0,1,0]=3 5638 B16R2.2942 CCCSc1ccc2ccccc2c1O 62a_100000210303_100009996032 [1,1,0,0,0,0|0,1,0]=3 5639 B16R2.2942 CCCSc1ccc2cccnc2c1C 62a_100000210303_100010214467 [1,1,0,0,0,0|1,1,0]=4 5640 B16R2.2942 CCCSc1ccc2cccnc2c1F 62a_100000210303_100010751467 [1,1,0,0,0,0|1,1,0]=4 5641 B16R2.2942 CCCSc1ccc2cccnc2c1F 62a_100010751467_100000210303 [1,1,0,0,0,0|1,1,0]=4 5642 B16R2.2942 CCCSc1ccc2cccnc2c1O 62a_100000210303_100009816563 [1,1,0,0,0,0|1,1,0]=4 5643 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100000210303_100010191621 [1,1,0,0,0,0|1,1,0]=4 5644 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100010191621_100000210303 [1,1,0,0,0,0|1,1,0]=4 5645 B16R2.2942 CCCSc1ccc2ncccc2c1C 62a_100000210303_200010137439 [1,1,0,0,0,0|1,1,0]=4 5646 B16R2.2942 CCCSc1ccc2ncccc2c1C 62a_200010137439_100000210303 [1,1,0,0,0,0|1,1,0]=4 5647 B16R2.2942 CCCSc1ccc2ncccc2c1N 62a_200010235790_100000210303 [1,1,0,0,0,0|1,1,0]=4 5648 B16R2.2942 CCCSc1cnc2ccccc2c1Cl 62a_100000210303_100012352519 [1,1,0,0,0,0|1,1,0]=4 5649 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100000210303_100009995562 [1,1,0,0,0,0|1,1,0]=4 5650 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100009995562_100000210303 [1,1,0,0,0,0|1,1,0]=4 5651 B16R2.2942 CCCSc1coc2ccccc2c1=O 62a_100000210303_100009813851 [1,1,0,0,0,0|1,1,0]=4 5652 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100000210303_100000087573 [1,1,0,0,0,0|1,1,0]=4 5653 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100009995564_100000210303 [1,1,0,0,0,0|1,1,0]=4 5654 B16R2.2942 CCNCc1ccc2ccccc2c1Br 207a_100015525214_100009813496 [1,1,0,0,0,0|2,0,0]=4 5655 B16R2.2942 CCNCc1ccc2ccccc2c1Br 2230a_100015525214_100009813938 [1,1,0,0,0,0|2,0,0]=4 5656 B16R2.2942 CCNCc1ccc2ccccc2c1Br 270004a_100015525214_100009813496 [1,1,0,0,0,0|2,0,0]=4 5657 B16R2.2942 CCOCc1ccc2ccccc2c1Br 34a_100121572206_100009813938 [1,1,0,0,0,0|2,0,0]=4 5658 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100000210202_100009813938 [1,1,0,0,0,0|2,0,0]=4 5659 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100009813938_100000210202 [1,1,0,0,0,0|2,0,0]=4 5660 B16R2.2942 COCSc1ccc2ccccc2c1Br 62a_100000766300_200010089984 [1,1,0,0,0,0|1,1,0]=4 5661 B16R2.2942 COCSc1ccc2ccccc2c1Br 62a_200010089984_100000766300 [1,1,0,0,0,0|1,1,0]=4 5662 B16R2.2942 COCSc1ccc2ccccc2c1C 62a_100000766300_100010221197 [1,1,0,0,0,0|1,1,0]=4 5663 B16R2.2942 COCSc1ccc2ccccc2c1C 62a_100010221197_100000766300 [1,1,0,0,0,0|1,1,0]=4 5664 B16R2.2942 COCSc1ccc2ccccc2c1F 62a_100000766300_100009832041 [1,1,0,0,0,0|1,1,0]=4 5665 B16R2.2942 COCSc1ccc2ccccc2c1F 62a_100009832041_100000766300 [1,1,0,0,0,0|1,1,0]=4 5666 B16R2.2942 COCSc1ccc2ccccc2c1N 62a_100009817101_100000766300 [1,1,0,0,0,0|1,1,0]=4 5667 B16R2.2942 COCSc1ccc2ccccc2c1O 62a_100000766300_100009996032 [1,1,0,0,0,0|1,1,0]=4 5668 B16R2.2942 CSCNc1ccc2ccccc2c1Br 34a_100000705303_100011218213 [1,1,0,0,0,0|2,0,0]=4 5669 B16R2.2942 CSCNc1ccc2ccccc2c1Cl 34a_100000075557_100011218213 [1,1,0,0,0,0|2,0,0]=4 5670 B16R2.2942 CSCNc1ccc2ccccc2c1O 34a_100000007060_100011218213 [1,1,0,0,0,0|2,0,0]=4 5671 B16R2.2942 CSCOc1ccc2ccccc2c1Br 34a_100000183829_100011218213 [1,1,0,0,0,0|1,0,0]=3 5672 B16R2.2942 CSCOc1ccc2ccccc2c1C 34a_100009830054_100011218213 [1,1,0,0,0,0|1,0,0]=3 5673 B16R2.2942 CSCOc1ccc2ccccc2c1Cl 34a_100000029778_100011218213 [1,1,0,0,0,0|1,0,0]=3 5674 B16R2.2942 CSCOc1ccc2ccccc2c1I 34a_100000041551_100011218213 [1,1,0,0,0,0|1,0,0]=3 5675 B16R2.2942 CSCOc1ccc2ccccc2c1N 34a_100000007056_100011218213 [1,1,0,0,0,0|1,0,0]=3 5676 B16R2.2942 CSCOc1ccc2cccnc2c1Br 34a_100010173343_100011218213 [1,1,0,0,0,0|2,0,0]=4 5677 B16R2.2942 CSCOc1ccc2ccncc2c1Br 34a_200010115057_100011218213 [1,1,0,0,0,0|2,0,0]=4 5678 B16R2.2942 CSCOc1ccc2cnccc2c1Cl 34a_100009824633_100011218213 [1,1,0,0,0,0|2,0,0]=4 5679 B16R2.2942 CSCSc1ccc2ccccc2c1C 62a_100010221197_100011218213 [1,1,0,0,0,0|1,1,0]=4 5680 B16R2.2942 CSCSc1ccc2ccccc2c1C 62a_100011218213_100010221197 [1,1,0,0,0,0|1,1,0]=4 5681 B16R2.2942 CSCSc1ccc2ccccc2c1F 62a_100009832041_100011218213 [1,1,0,0,0,0|1,1,0]=4 5682 B16R2.2942 CSCSc1ccc2ccccc2c1F 62a_100011218213_100009832041 [1,1,0,0,0,0|1,1,0]=4 5683 B16R2.2942 CSCSc1ccc2ccccc2c1N 62a_100009817101_100011218213 [1,1,0,0,0,0|1,1,0]=4 5684 B16R2.2942 CSCSc1ccc2ccccc2c1O 62a_100011218213_100009996032 [1,1,0,0,0,0|1,1,0]=4 5685 B16R2.2942 Cc1c(ccc2c1cccc2)OCC#N 7a_100009830054_100011215382 [1,1,0,0,0,0|1,0,1]=4 5686 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 34a_100009830054_200009817547 [1,1,0,0,0,0|1,0,1]=4 5687 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 7a_100009830054_200015260668 [1,1,0,0,0,0|1,0,1]=4 5688 B16R2.2942 Cc1c(ccc2c1cccc2)OCCF 34a_100009830054_100011217306 [1,1,0,0,0,0|1,0,0]=3 5689 B16R2.2942 Cc1c(ccc2c1cccc2)OCCF 7a_100009830054_100011217306 [1,1,0,0,0,0|1,0,0]=3 5690 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 34a_100009830054_100000211926 [1,1,0,0,0,0|1,0,0]=3 5691 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 7a_100009830054_100000211926 [1,1,0,0,0,0|1,0,0]=3 5692 B16R2.2942 Cc1c(ccc2c1cccc2)SCCF 62a_100010221197_100011217306 [1,1,0,0,0,0|1,1,0]=4 5693 B16R2.2942 Cc1c(ccc2c1cccc2)SCCF 62a_100011217306_100010221197 [1,1,0,0,0,0|1,1,0]=4 5694 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100000211926_100010221197 [1,1,0,0,0,0|1,1,0]=4 5695 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100010221197_100000211926 [1,1,0,0,0,0|1,1,0]=4 5696 B16R2.2942 FCCNc1ccc2ccccc2c1Br 34a_100000705303_100011217306 [1,1,0,0,0,0|2,0,0]=4 5697 B16R2.2942 FCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011217306 [1,1,0,0,0,0|2,0,0]=4 5698 B16R2.2942 FCCOc1ccc2ccccc2c1Br 34a_100000183829_100011217306 [1,1,0,0,0,0|1,0,0]=3 5699 B16R2.2942 FCCOc1ccc2ccccc2c1Br 7a_100000183829_100011217306 [1,1,0,0,0,0|1,0,0]=3 5700 B16R2.2942 FCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011217306 [1,1,0,0,0,0|1,0,0]=3 5701 B16R2.2942 FCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011217306 [1,1,0,0,0,0|1,0,0]=3 5702 B16R2.2942 FCCOc1ccc2ccccc2c1I 34a_100000041551_100011217306 [1,1,0,0,0,0|1,0,0]=3 5703 B16R2.2942 FCCOc1ccc2ccccc2c1I 7a_100000041551_100011217306 [1,1,0,0,0,0|1,0,0]=3 5704 B16R2.2942 FCCOc1ccc2cccnc2c1Br 34a_100010173343_100011217306 [1,1,0,0,0,0|2,0,0]=4 5705 B16R2.2942 FCCOc1ccc2cccnc2c1Br 7a_100010173343_100011217306 [1,1,0,0,0,0|2,0,0]=4 5706 B16R2.2942 FCCOc1ccc2ccncc2c1Br 34a_200010115057_100011217306 [1,1,0,0,0,0|2,0,0]=4 5707 B16R2.2942 FCCOc1ccc2ccncc2c1Br 7a_200010115057_100011217306 [1,1,0,0,0,0|2,0,0]=4 5708 B16R2.2942 FCCOc1ccc2cnccc2c1Cl 34a_100009824633_100011217306 [1,1,0,0,0,0|2,0,0]=4 5709 B16R2.2942 FCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011217306 [1,1,0,0,0,0|2,0,0]=4 5710 B16R2.2942 FCCSc1ccc2ccccc2c1Br 62a_100011217306_200010089984 [1,1,0,0,0,0|1,1,0]=4 5711 B16R2.2942 FCCSc1ccc2ccccc2c1Br 62a_200010089984_100011217306 [1,1,0,0,0,0|1,1,0]=4 5712 B16R2.2942 FCCSc1ccc2ccccc2c1F 62a_100009832041_100011217306 [1,1,0,0,0,0|1,1,0]=4 5713 B16R2.2942 FCCSc1ccc2ccccc2c1F 62a_100011217306_100009832041 [1,1,0,0,0,0|1,1,0]=4 5714 B16R2.2942 N#CCOc1ccc2ccccc2c1Br 7a_100000183829_100011215382 [1,1,0,0,0,0|1,0,1]=4 5715 B16R2.2942 N#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215382 [1,1,0,0,0,0|1,0,1]=4 5716 B16R2.2942 N#CCOc1ccc2ccccc2c1I 7a_100000041551_100011215382 [1,1,0,0,0,0|1,0,1]=4 5717 B16R2.2942 N#CCOc1ccc2ccccc2c1N 7a_100000007056_100011215382 [1,1,0,0,0,0|1,0,1]=4 5718 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 34a_100000007056_200009817547 [1,1,0,0,0,0|1,0,1]=4 5719 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 7a_100000007056_200015260668 [1,1,0,0,0,0|1,0,1]=4 5720 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 34a_100000007056_100011217306 [1,1,0,0,0,0|1,0,0]=3 5721 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 7a_100000007056_100011217306 [1,1,0,0,0,0|1,0,0]=3 5722 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 34a_100000007056_100000211926 [1,1,0,0,0,0|1,0,0]=3 5723 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 7a_100000007056_100000211926 [1,1,0,0,0,0|1,0,0]=3 5724 B16R2.2942 Nc1c(ccc2c1cccc2)SCCF 62a_100009817101_100011217306 [1,1,0,0,0,0|1,1,0]=4 5725 B16R2.2942 Nc1c(ccc2c1cccc2)SCCO 62a_100009817101_100000211926 [1,1,0,0,0,0|1,1,0]=4 5726 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 34a_100000183829_200009817547 [1,1,0,0,0,0|1,0,1]=4 5727 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 7a_100000183829_200015260668 [1,1,0,0,0,0|1,0,1]=4 5728 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 34a_100000029778_200009817547 [1,1,0,0,0,0|1,0,1]=4 5729 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 7a_100000029778_200015260668 [1,1,0,0,0,0|1,0,1]=4 5730 B16R2.2942 O=CCOc1ccc2ccccc2c1I 34a_100000041551_200009817547 [1,1,0,0,0,0|1,0,1]=4 5731 B16R2.2942 O=CCOc1ccc2ccccc2c1I 7a_100000041551_200015260668 [1,1,0,0,0,0|1,0,1]=4 5732 B16R2.2942 OCCNc1ccc2ccccc2c1Br 34a_100000705303_100000211926 [1,1,0,0,0,0|2,0,0]=4 5733 B16R2.2942 OCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000211926 [1,1,0,0,0,0|2,0,0]=4 5734 B16R2.2942 OCCNc1ccc2ccccc2c1O 34a_100000007060_100000211926 [1,1,0,0,0,0|2,0,0]=4 5735 B16R2.2942 OCCOc1ccc2ccccc2c1Br 34a_100000183829_100000211926 [1,1,0,0,0,0|1,0,0]=3 5736 B16R2.2942 OCCOc1ccc2ccccc2c1Br 7a_100000183829_100000211926 [1,1,0,0,0,0|1,0,0]=3 5737 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000211926 [1,1,0,0,0,0|1,0,0]=3 5738 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000211926 [1,1,0,0,0,0|1,0,0]=3 5739 B16R2.2942 OCCOc1ccc2ccccc2c1I 34a_100000041551_100000211926 [1,1,0,0,0,0|1,0,0]=3 5740 B16R2.2942 OCCOc1ccc2ccccc2c1I 7a_100000041551_100000211926 [1,1,0,0,0,0|1,0,0]=3 5741 B16R2.2942 OCCOc1ccc2cccnc2c1Br 34a_100010173343_100000211926 [1,1,0,0,0,0|2,0,0]=4 5742 B16R2.2942 OCCOc1ccc2cccnc2c1Br 7a_100010173343_100000211926 [1,1,0,0,0,0|2,0,0]=4 5743 B16R2.2942 OCCOc1ccc2ccncc2c1Br 34a_200010115057_100000211926 [1,1,0,0,0,0|2,0,0]=4 5744 B16R2.2942 OCCOc1ccc2ccncc2c1Br 7a_200010115057_100000211926 [1,1,0,0,0,0|2,0,0]=4 5745 B16R2.2942 OCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000211926 [1,1,0,0,0,0|2,0,0]=4 5746 B16R2.2942 OCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000211926 [1,1,0,0,0,0|2,0,0]=4 5747 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_100000211926_200010089984 [1,1,0,0,0,0|1,1,0]=4 5748 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_200010089984_100000211926 [1,1,0,0,0,0|1,1,0]=4 5749 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100000211926_100009832041 [1,1,0,0,0,0|1,1,0]=4 5750 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100009832041_100000211926 [1,1,0,0,0,0|1,1,0]=4 5751 B16R2.2942 OCCSc1ccc2ccccc2c1O 62a_100000211926_100009996032 [1,1,0,0,0,0|1,1,0]=4 5752 B16R2.2942 Oc1c(ccc2c1cccc2)NCCF 34a_100000007060_100011217306 [1,1,0,0,0,0|2,0,0]=4 5753 B16R2.2942 Oc1c(ccc2c1cccc2)SCCF 62a_100011217306_100009996032 [1,1,0,0,0,0|1,1,0]=4 5754 B16R2.5347 C#CC(C)Oc1ccc2ccccc2c1 34a_100000185828_200000035995 [1,1,0,0,0,0|0,0,2]=4 5755 B16R2.5347 CC(C#N)Oc1ccc2ccccc2c1 7a_100000185828_100000703298 [1,1,0,0,0,0|1,0,1]=4 5756 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 34a_100000211940_100012180447 [1,1,0,0,0,0|2,0,0]=4 5757 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 7a_100000211940_100012180447 [1,1,0,0,0,0|2,0,0]=4 5758 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 34a_100000185828_100012180447 [1,1,0,0,0,0|1,0,0]=3 5759 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 7a_100000185828_100012180447 [1,1,0,0,0,0|1,0,0]=3 5760 B16R2.5347 CC(CO)Oc1ccc2cccnc2c1 34a_100011216045_100012180447 [1,1,0,0,0,0|2,0,0]=4 5761 B16R2.5347 CC(CO)Oc1ccc2ccncc2c1 7a_100000752006_100012180447 [1,1,0,0,0,0|2,0,0]=4 5762 B16R2.5347 CC(CO)Oc1ccc2cnccc2c1 34a_100000046372_100012180447 [1,1,0,0,0,0|2,0,0]=4 5763 B16R2.5347 CC(CO)Oc1ccc2cnccc2c1 7a_100000046372_100012180447 [1,1,0,0,0,0|2,0,0]=4 5764 B16R2.5347 CC(CO)Oc1ccc2ncccc2c1 34a_100011215586_100012180447 [1,1,0,0,0,0|2,0,0]=4 5765 B16R2.5347 CC(CO)Oc1ccc2ncccc2c1 7a_100011215586_100012180447 [1,1,0,0,0,0|2,0,0]=4 5766 B16R2.5347 CC(CO)Oc1cnc2ccccc2c1 34a_100011934006_100012180447 [1,1,0,0,0,0|2,0,0]=4 5767 B16R2.5347 CC(CO)Oc1cnc2ccccc2c1 7a_100011934006_100012180447 [1,1,0,0,0,0|2,0,0]=4 5768 B16R2.5347 CC(CO)Sc1ccc2ccccc2c1 62a_100012180447_100000233703 [1,1,0,0,0,0|1,1,0]=4 5769 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [1,1,0,0,0,0|1,0,1]=4 5770 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [1,1,0,0,0,0|1,0,1]=4 5771 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 5772 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 5773 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 5774 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 5775 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100011215416 [1,1,0,0,0,0|1,0,0]=3 5776 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000758301 [1,1,0,0,0,0|1,0,0]=3 5777 B16R2.5347 CCC(C)Nc1ccc2cccnc2c1 34a_100102887122_100011215416 [1,1,0,0,0,0|2,0,0]=4 5778 B16R2.5347 CCC(C)Nc1ccc2cnccc2c1 34a_100000039641_100011215416 [1,1,0,0,0,0|2,0,0]=4 5779 B16R2.5347 CCC(C)Nc1ccc2ncccc2c1 34a_100011198106_100011215416 [1,1,0,0,0,0|2,0,0]=4 5780 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100011215416 [1,1,0,0,0,0|0,0,0]=2 5781 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000758301 [1,1,0,0,0,0|0,0,0]=2 5782 B16R2.5347 CCC(C)Oc1ccc2cccnc2c1 34a_100011216045_100011215416 [1,1,0,0,0,0|1,0,0]=3 5783 B16R2.5347 CCC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000758301 [1,1,0,0,0,0|1,0,0]=3 5784 B16R2.5347 CCC(C)Oc1ccc2cnccc2c1 34a_100000046372_100011215416 [1,1,0,0,0,0|1,0,0]=3 5785 B16R2.5347 CCC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000758301 [1,1,0,0,0,0|1,0,0]=3 5786 B16R2.5347 CCC(C)Oc1ccc2ncccc2c1 34a_100011215586_100011215416 [1,1,0,0,0,0|1,0,0]=3 5787 B16R2.5347 CCC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000758301 [1,1,0,0,0,0|1,0,0]=3 5788 B16R2.5347 CCC(C)Oc1ccc2nccnc2c1 34a_100000694412_100011215416 [1,1,0,0,0,0|2,0,0]=4 5789 B16R2.5347 CCC(C)Oc1cnc2ccccc2c1 34a_100011934006_100011215416 [1,1,0,0,0,0|1,0,0]=3 5790 B16R2.5347 CCC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000758301 [1,1,0,0,0,0|1,0,0]=3 5791 B16R2.5347 CCC(C)Sc1cc2ccccc2cn1 62a_100000758301_100000047361 [1,1,0,0,0,0|1,1,0]=4 5792 B16R2.5347 CCC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000758301 [1,1,0,0,0,0|1,1,0]=4 5793 B16R2.5347 CCC(C)Sc1ccc2ccccc2c1 62a_100000758301_100000233703 [1,1,0,0,0,0|0,1,0]=3 5794 B16R2.5347 CCC(C)Sc1ccc2ccccc2n1 62a_100000758301_100011291633 [1,1,0,0,0,0|1,1,0]=4 5795 B16R2.5347 CCC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000758301 [1,1,0,0,0,0|1,1,0]=4 5796 B16R2.5347 CCC(C)Sc1ccc2cccnc2c1 62a_100000758301_100009816655 [1,1,0,0,0,0|1,1,0]=4 5797 B16R2.5347 CCC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000758301 [1,1,0,0,0,0|1,1,0]=4 5798 B16R2.5347 CCC(C)Sc1ccc2ccncc2c1 62a_100000758301_100000686496 [1,1,0,0,0,0|1,1,0]=4 5799 B16R2.5347 CCC(C)Sc1ccc2cnccc2c1 62a_100000758301_100009816743 [1,1,0,0,0,0|1,1,0]=4 5800 B16R2.5347 CCC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000758301 [1,1,0,0,0,0|1,1,0]=4 5801 B16R2.5347 CCC(C)Sc1ccc2ncccc2c1 62a_100000758301_100011215947 [1,1,0,0,0,0|1,1,0]=4 5802 B16R2.5347 CCC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000758301 [1,1,0,0,0,0|1,1,0]=4 5803 B16R2.5347 CCC(C)Sc1cnc2ccccc2c1 62a_100000758301_100000737414 [1,1,0,0,0,0|1,1,0]=4 5804 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210202 [1,1,0,0,0,0|2,0,0]=4 5805 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000201282_200000210301 [1,1,0,0,0,0|2,0,0]=4 5806 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000225621_100011216711 [1,1,0,0,0,0|2,0,0]=4 5807 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000204670 [1,1,0,0,0,0|2,0,0]=4 5808 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000201282_200000210301 [1,1,0,0,0,0|2,0,0]=4 5809 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000225621_100011216711 [1,1,0,0,0,0|2,0,0]=4 5810 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 2230a_100000201282_200025704644 [1,1,0,0,0,0|2,0,0]=4 5811 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 269982a_100000201282_200025704644 [1,1,0,0,0,0|2,0,0]=4 5812 B16R2.5347 COC(C)Sc1ccc2ccccc2c1 62a_100009879195_100000233703 [1,1,0,0,0,0|1,1,0]=4 5813 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2c1 62a_100016084084_100000233703 [1,1,0,0,0,0|1,1,0]=4 5814 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000184674 [1,1,0,0,0,0|0,0,2]=4 5815 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000038162 [1,1,0,0,0,0|0,0,2]=4 5816 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000184674 [1,1,0,0,0,0|0,0,2]=4 5817 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000038162 [1,1,0,0,0,0|0,0,2]=4 5818 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000184674 [1,1,0,0,0,0|0,0,2]=4 5819 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000038162 [1,1,0,0,0,0|0,0,2]=4 5820 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000184674 [1,1,0,0,0,0|0,0,2]=4 5821 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000038162 [1,1,0,0,0,0|0,0,2]=4 5822 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015514636 [1,1,0,0,0,0|0,0,2]=4 5823 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015514636 [1,1,0,0,0,0|0,0,2]=4 5824 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100015514636 [1,1,0,0,0,0|0,0,2]=4 5825 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100015514636 [1,1,0,0,0,0|0,0,2]=4 5826 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015514636 [1,1,0,0,0,0|0,0,2]=4 5827 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015514636 [1,1,0,0,0,0|0,0,2]=4 5828 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015514636 [1,1,0,0,0,0|0,0,2]=4 5829 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015514636 [1,1,0,0,0,0|0,0,2]=4 5830 B16R2.30336 CCCCc1ccc2[nH]c(=O)ccc2c1 271570a_100020621405_100011934725 [1,1,0,0,0,0|2,0,0]=4 5831 B16R2.30336 CCCCc1ccc2c[n+](ccc2c1)C 271570a_100020621405_100015191232 [1,1,0,0,0,0|2,0,0]=4 5832 B16R2.30336 CCCCc1ccc2cc(ccc2c1)Br 271570a_100020621405_100012344972 [1,1,0,0,0,0|1,0,0]=3 5833 B16R2.30336 CCCCc1ccc2cc(ccc2c1)F 271570a_100020621405_100009817052 [1,1,0,0,0,0|1,0,0]=3 5834 B16R2.30336 CCCCc1ccc2cc(ccc2c1)N 271570a_100020621405_100000185457 [1,1,0,0,0,0|1,0,0]=3 5835 B16R2.30336 CCCCc1ccc2cc(ccc2c1)O 271570a_100020621405_100000185455 [1,1,0,0,0,0|1,0,0]=3 5836 B16R2.30336 CCCCc1ccc2cc(ccc2n1)C 271570a_100020621405_100011865911 [1,1,0,0,0,0|2,0,0]=4 5837 B16R2.30336 CCCCc1ccc2cc(ccc2n1)F 271570a_100020621405_100011998705 [1,1,0,0,0,0|2,0,0]=4 5838 B16R2.30336 CCCCc1ccc2cc(ccc2n1)O 271570a_100020621405_100009849208 [1,1,0,0,0,0|2,0,0]=4 5839 B16R2.30336 CCCCc1ccc2cc(cnc2c1)Br 271570a_100020621405_200015509644 [1,1,0,0,0,0|2,0,0]=4 5840 B16R2.30336 CCCCc1ccc2cc(cnc2c1)C 271570a_100020621405_100010751441 [1,1,0,0,0,0|2,0,0]=4 5841 B16R2.30336 CCCCc1ccc2cc(cnc2c1)F 271570a_100020621405_100010751466 [1,1,0,0,0,0|2,0,0]=4 5842 B16R2.30336 CCCCc1ccc2cc(cnc2c1)N 271570a_100020621405_100010142226 [1,1,0,0,0,0|2,0,0]=4 5843 B16R2.30336 CCCCc1ccc2cc(ncc2c1)N 271570a_100020621405_100010232990 [1,1,0,0,0,0|2,0,0]=4 5844 B16R2.30336 CCCCc1ccc2nc(ccc2c1)C 271570a_100020621405_100000686635 [1,1,0,0,0,0|2,0,0]=4 5845 B16R2.30336 CCCCc1ccc2nc(ccc2c1)Cl 271570a_100020621405_200012034268 [1,1,0,0,0,0|2,0,0]=4 5846 B16R2.30336 CCCCc1ccc2nc(ccc2c1)N 271570a_100020621405_100011934619 [1,1,0,0,0,0|2,0,0]=4 5847 B16R2.30336 CCCCc1ccc2oc(=O)ccc2c1 271570a_100020621405_100009999946 [1,1,0,0,0,0|2,0,0]=4 5848 B16R2.30336 CCCCc1cnc2cc(ccc2c1)Cl 271570a_100020621405_100015716233 [1,1,0,0,0,0|2,0,0]=4 5849 B16R2.30336 CCCCc1cnc2cc(ccc2c1)N 271570a_100020621405_200010264087 [1,1,0,0,0,0|2,0,0]=4 5850 B16R2.30336 CCCCc1cnc2cc(ccc2c1)O 271570a_100020621405_200010153753 [1,1,0,0,0,0|2,0,0]=4 5851 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210303 [1,1,0,0,0,0|1,0,0]=3 5852 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210303 [1,1,0,0,0,0|1,0,0]=3 5853 B16R2.30336 CCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210303 [1,1,0,0,0,0|2,0,0]=4 5854 B16R2.30336 CCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210303 [1,1,0,0,0,0|2,0,0]=4 5855 B16R2.30336 CCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210303 [1,1,0,0,0,0|2,0,0]=4 5856 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210303 [1,1,0,0,0,0|0,0,0]=2 5857 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210303 [1,1,0,0,0,0|0,0,0]=2 5858 B16R2.30336 CCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210303 [1,1,0,0,0,0|0,0,0]=2 5859 B16R2.30336 CCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210303 [1,1,0,0,0,0|0,0,0]=2 5860 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210303 [1,1,0,0,0,0|0,0,0]=2 5861 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210303 [1,1,0,0,0,0|0,0,0]=2 5862 B16R2.30336 CCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210303 [1,1,0,0,0,0|0,0,0]=2 5863 B16R2.30336 CCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210303 [1,1,0,0,0,0|0,0,0]=2 5864 B16R2.30336 CCCOc1ccc2cc(ccc2c1)O 271570a_203496583355_200000170442 [1,1,0,0,0,0|0,0,0]=2 5865 B16R2.30336 CCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210303 [1,1,0,0,0,0|1,0,0]=3 5866 B16R2.30336 CCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210303 [1,1,0,0,0,0|1,0,0]=3 5867 B16R2.30336 CCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210303 [1,1,0,0,0,0|1,0,0]=3 5868 B16R2.30336 CCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210303 [1,1,0,0,0,0|1,0,0]=3 5869 B16R2.30336 CCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210303 [1,1,0,0,0,0|1,0,0]=3 5870 B16R2.30336 CCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210303 [1,1,0,0,0,0|1,0,0]=3 5871 B16R2.30336 CCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210303 [1,1,0,0,0,0|2,0,0]=4 5872 B16R2.30336 CCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210303 [1,1,0,0,0,0|1,0,0]=3 5873 B16R2.30336 CCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210303 [1,1,0,0,0,0|1,0,0]=3 5874 B16R2.30336 CCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210303 [1,1,0,0,0,0|1,0,0]=3 5875 B16R2.30336 CCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210303 [1,1,0,0,0,0|1,0,0]=3 5876 B16R2.30336 CCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210303_100011934725 [1,1,0,0,0,0|1,1,0]=4 5877 B16R2.30336 CCCSc1ccc2c[n+](ccc2c1)C 62a_100000210303_100015191232 [1,1,0,0,0,0|1,1,0]=4 5878 B16R2.30336 CCCSc1ccc2cc(ccc2c1)F 62a_100000210303_100009817052 [1,1,0,0,0,0|0,1,0]=3 5879 B16R2.30336 CCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210303 [1,1,0,0,0,0|0,1,0]=3 5880 B16R2.30336 CCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210303 [1,1,0,0,0,0|0,1,0]=3 5881 B16R2.30336 CCCSc1ccc2cc(ccc2c1)N 62a_100000210303_100000185457 [1,1,0,0,0,0|0,1,0]=3 5882 B16R2.30336 CCCSc1ccc2cc(ccc2c1)O 62a_100000210303_100000185455 [1,1,0,0,0,0|0,1,0]=3 5883 B16R2.30336 CCCSc1ccc2cc(ccc2n1)C 62a_100000210303_100011865911 [1,1,0,0,0,0|1,1,0]=4 5884 B16R2.30336 CCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210303 [1,1,0,0,0,0|1,1,0]=4 5885 B16R2.30336 CCCSc1ccc2cc(ccc2n1)F 62a_100000210303_100011998705 [1,1,0,0,0,0|1,1,0]=4 5886 B16R2.30336 CCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210303 [1,1,0,0,0,0|1,1,0]=4 5887 B16R2.30336 CCCSc1ccc2cc(ccc2n1)O 62a_100000210303_100009849208 [1,1,0,0,0,0|1,1,0]=4 5888 B16R2.30336 CCCSc1ccc2cc(cnc2c1)Br 62a_100000210303_200015509644 [1,1,0,0,0,0|1,1,0]=4 5889 B16R2.30336 CCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210303 [1,1,0,0,0,0|1,1,0]=4 5890 B16R2.30336 CCCSc1ccc2cc(cnc2c1)C 62a_100000210303_100010751441 [1,1,0,0,0,0|1,1,0]=4 5891 B16R2.30336 CCCSc1ccc2cc(cnc2c1)F 62a_100000210303_100010751466 [1,1,0,0,0,0|1,1,0]=4 5892 B16R2.30336 CCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210303 [1,1,0,0,0,0|1,1,0]=4 5893 B16R2.30336 CCCSc1ccc2cc(cnc2c1)N 62a_100000210303_100010142226 [1,1,0,0,0,0|1,1,0]=4 5894 B16R2.30336 CCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210303 [1,1,0,0,0,0|1,1,0]=4 5895 B16R2.30336 CCCSc1ccc2cc(ncc2c1)N 62a_100000210303_100010232990 [1,1,0,0,0,0|1,1,0]=4 5896 B16R2.30336 CCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210303 [1,1,0,0,0,0|1,1,0]=4 5897 B16R2.30336 CCCSc1ccc2nc(ccc2c1)C 62a_100000210303_100000686635 [1,1,0,0,0,0|1,1,0]=4 5898 B16R2.30336 CCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210303 [1,1,0,0,0,0|1,1,0]=4 5899 B16R2.30336 CCCSc1ccc2nc(ccc2c1)Cl 62a_100000210303_200012034268 [1,1,0,0,0,0|1,1,0]=4 5900 B16R2.30336 CCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210303 [1,1,0,0,0,0|1,1,0]=4 5901 B16R2.30336 CCCSc1ccc2oc(=O)ccc2c1 62a_100000210303_100009999946 [1,1,0,0,0,0|1,1,0]=4 5902 B16R2.30336 CCCSc1cnc2cc(ccc2c1)Cl 62a_100000210303_100015716233 [1,1,0,0,0,0|1,1,0]=4 5903 B16R2.30336 CCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210303 [1,1,0,0,0,0|1,1,0]=4 5904 B16R2.30336 CCCSc1cnc2cc(ccc2c1)N 62a_100000210303_200010264087 [1,1,0,0,0,0|1,1,0]=4 5905 B16R2.30336 CCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210303 [1,1,0,0,0,0|1,1,0]=4 5906 B16R2.30336 CCCSc1cnc2cc(ccc2c1)O 62a_100000210303_200010153753 [1,1,0,0,0,0|1,1,0]=4 5907 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 207a_100015525214_100012356508 [1,1,0,0,0,0|2,0,0]=4 5908 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 2230a_100015525214_100012356510 [1,1,0,0,0,0|2,0,0]=4 5909 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 270004a_100015525214_100012356508 [1,1,0,0,0,0|2,0,0]=4 5910 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 207a_100015525214_100000067190 [1,1,0,0,0,0|2,0,0]=4 5911 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 270004a_100015525214_100000067190 [1,1,0,0,0,0|2,0,0]=4 5912 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210202 [1,1,0,0,0,0|2,0,0]=4 5913 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210202 [1,1,0,0,0,0|2,0,0]=4 5914 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 34a_100121572206_100012356510 [1,1,0,0,0,0|2,0,0]=4 5915 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210202 [1,1,0,0,0,0|2,0,0]=4 5916 B16R2.30336 CCSCc1ccc2cc(ccc2c1)Br 62a_100000210202_100012356510 [1,1,0,0,0,0|2,0,0]=4 5917 B16R2.30336 CCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000210202 [1,1,0,0,0,0|2,0,0]=4 5918 B16R2.30336 COCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000149268 [1,1,0,0,0,0|1,0,0]=3 5919 B16R2.30336 COCSc1ccc2cc(ccc2c1)Br 62a_100000766300_100012344972 [1,1,0,0,0,0|1,1,0]=4 5920 B16R2.30336 COCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000766300 [1,1,0,0,0,0|1,1,0]=4 5921 B16R2.30336 COCSc1ccc2cc(ccc2c1)F 62a_100000766300_100009817052 [1,1,0,0,0,0|1,1,0]=4 5922 B16R2.30336 COCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000766300 [1,1,0,0,0,0|1,1,0]=4 5923 B16R2.30336 COCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000766300 [1,1,0,0,0,0|1,1,0]=4 5924 B16R2.30336 COCSc1ccc2cc(ccc2c1)N 62a_100000766300_100000185457 [1,1,0,0,0,0|1,1,0]=4 5925 B16R2.30336 COCSc1ccc2cc(ccc2c1)O 62a_100000766300_100000185455 [1,1,0,0,0,0|1,1,0]=4 5926 B16R2.30336 CSCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011218213 [1,1,0,0,0,0|2,0,0]=4 5927 B16R2.30336 CSCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218213 [1,1,0,0,0,0|1,0,0]=3 5928 B16R2.30336 CSCOc1ccc2cc(ccc2c1)C 34a_100000074090_100011218213 [1,1,0,0,0,0|1,0,0]=3 5929 B16R2.30336 CSCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218213 [1,1,0,0,0,0|1,0,0]=3 5930 B16R2.30336 CSCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011218213 [1,1,0,0,0,0|1,0,0]=3 5931 B16R2.30336 CSCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011218213 [1,1,0,0,0,0|2,0,0]=4 5932 B16R2.30336 CSCOc1ccc2nc(ccc2c1)C 34a_100000037634_100011218213 [1,1,0,0,0,0|2,0,0]=4 5933 B16R2.30336 CSCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011218213 [1,1,0,0,0,0|2,0,0]=4 5934 B16R2.30336 CSCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100011218213 [1,1,0,0,0,0|2,0,0]=4 5935 B16R2.30336 CSCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011218213 [1,1,0,0,0,0|2,0,0]=4 5936 B16R2.30336 CSCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011218213 [1,1,0,0,0,0|1,1,0]=4 5937 B16R2.30336 CSCSc1ccc2cc(ccc2c1)F 62a_100011218213_100009817052 [1,1,0,0,0,0|1,1,0]=4 5938 B16R2.30336 CSCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011218213 [1,1,0,0,0,0|1,1,0]=4 5939 B16R2.30336 CSCSc1ccc2cc(ccc2c1)N 62a_100011218213_100000185457 [1,1,0,0,0,0|1,1,0]=4 5940 B16R2.30336 CSCSc1ccc2cc(ccc2c1)O 62a_100011218213_100000185455 [1,1,0,0,0,0|1,1,0]=4 5941 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC#N 7a_100000074090_100011215382 [1,1,0,0,0,0|1,0,1]=4 5942 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 34a_100000074090_200009817547 [1,1,0,0,0,0|1,0,1]=4 5943 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 7a_100000074090_200015260668 [1,1,0,0,0,0|1,0,1]=4 5944 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCF 34a_100000074090_100011217306 [1,1,0,0,0,0|1,0,0]=3 5945 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCF 7a_100000074090_100011217306 [1,1,0,0,0,0|1,0,0]=3 5946 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 34a_100000074090_100000211926 [1,1,0,0,0,0|1,0,0]=3 5947 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 7a_100000074090_100000211926 [1,1,0,0,0,0|1,0,0]=3 5948 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCF 34a_100000037634_100011217306 [1,1,0,0,0,0|2,0,0]=4 5949 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCF 7a_100000037634_100011217306 [1,1,0,0,0,0|2,0,0]=4 5950 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCO 34a_100000037634_100000211926 [1,1,0,0,0,0|2,0,0]=4 5951 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCO 7a_100000037634_100000211926 [1,1,0,0,0,0|2,0,0]=4 5952 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011217306 [1,1,0,0,0,0|2,0,0]=4 5953 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011217306 [1,1,0,0,0,0|2,0,0]=4 5954 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011217306 [1,1,0,0,0,0|1,0,0]=3 5955 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011217306 [1,1,0,0,0,0|1,0,0]=3 5956 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011217306 [1,1,0,0,0,0|1,0,0]=3 5957 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011217306 [1,1,0,0,0,0|1,0,0]=3 5958 B16R2.30336 FCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011217306 [1,1,0,0,0,0|1,0,0]=3 5959 B16R2.30336 FCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011217306 [1,1,0,0,0,0|1,0,0]=3 5960 B16R2.30336 FCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011217306 [1,1,0,0,0,0|2,0,0]=4 5961 B16R2.30336 FCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011217306 [1,1,0,0,0,0|2,0,0]=4 5962 B16R2.30336 FCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011217306 [1,1,0,0,0,0|2,0,0]=4 5963 B16R2.30336 FCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011217306 [1,1,0,0,0,0|2,0,0]=4 5964 B16R2.30336 FCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011217306 [1,1,0,0,0,0|2,0,0]=4 5965 B16R2.30336 FCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011217306 [1,1,0,0,0,0|2,0,0]=4 5966 B16R2.30336 FCCSc1ccc2cc(ccc2c1)Br 62a_100011217306_100012344972 [1,1,0,0,0,0|1,1,0]=4 5967 B16R2.30336 FCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011217306 [1,1,0,0,0,0|1,1,0]=4 5968 B16R2.30336 FCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011217306 [1,1,0,0,0,0|1,1,0]=4 5969 B16R2.30336 FCCSc1ccc2cc(ccc2c1)F 62a_100011217306_100009817052 [1,1,0,0,0,0|1,1,0]=4 5970 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215382 [1,1,0,0,0,0|1,0,1]=4 5971 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215382 [1,1,0,0,0,0|1,0,1]=4 5972 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215382 [1,1,0,0,0,0|1,0,1]=4 5973 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCF 62a_100000185457_100011217306 [1,1,0,0,0,0|1,1,0]=4 5974 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCF 62a_100011217306_100000185457 [1,1,0,0,0,0|1,1,0]=4 5975 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000185457_100000211926 [1,1,0,0,0,0|1,1,0]=4 5976 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000211926_100000185457 [1,1,0,0,0,0|1,1,0]=4 5977 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_200009817547 [1,1,0,0,0,0|1,0,1]=4 5978 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_200015260668 [1,1,0,0,0,0|1,0,1]=4 5979 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_200009817547 [1,1,0,0,0,0|1,0,1]=4 5980 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_200015260668 [1,1,0,0,0,0|1,0,1]=4 5981 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_200009817547 [1,1,0,0,0,0|1,0,1]=4 5982 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_200015260668 [1,1,0,0,0,0|1,0,1]=4 5983 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCF 34a_100000066265_100011217306 [1,1,0,0,0,0|2,0,0]=4 5984 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCF 7a_100000066265_100011217306 [1,1,0,0,0,0|2,0,0]=4 5985 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCO 34a_100000066265_100000211926 [1,1,0,0,0,0|2,0,0]=4 5986 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCO 7a_100000066265_100000211926 [1,1,0,0,0,0|2,0,0]=4 5987 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000211926 [1,1,0,0,0,0|2,0,0]=4 5988 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000211926 [1,1,0,0,0,0|2,0,0]=4 5989 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000211926 [1,1,0,0,0,0|1,0,0]=3 5990 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000211926 [1,1,0,0,0,0|1,0,0]=3 5991 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000211926 [1,1,0,0,0,0|1,0,0]=3 5992 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000211926 [1,1,0,0,0,0|1,0,0]=3 5993 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000211926 [1,1,0,0,0,0|1,0,0]=3 5994 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000211926 [1,1,0,0,0,0|1,0,0]=3 5995 B16R2.30336 OCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000211926 [1,1,0,0,0,0|2,0,0]=4 5996 B16R2.30336 OCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000211926 [1,1,0,0,0,0|2,0,0]=4 5997 B16R2.30336 OCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000211926 [1,1,0,0,0,0|2,0,0]=4 5998 B16R2.30336 OCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000211926 [1,1,0,0,0,0|2,0,0]=4 5999 B16R2.30336 OCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000211926 [1,1,0,0,0,0|2,0,0]=4 6000 B16R2.30336 OCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000211926 [1,1,0,0,0,0|2,0,0]=4 6001 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100000211926_100012344972 [1,1,0,0,0,0|1,1,0]=4 6002 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000211926 [1,1,0,0,0,0|1,1,0]=4 6003 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100000211926_100009817052 [1,1,0,0,0,0|1,1,0]=4 6004 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000211926 [1,1,0,0,0,0|1,1,0]=4 6005 B16R2.30336 OCCSc1ccc2cc(ccc2c1)O 62a_100000211926_100000185455 [1,1,0,0,0,0|1,1,0]=4 6006 B16R2.30336 Oc1ccc2cc(ccc2c1)SCCF 62a_100011217306_100000185455 [1,1,0,0,0,0|1,1,0]=4 6007 B16R2.163604 C#CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000184674 [1,1,0,0,0,0|0,0,2]=4 6008 B16R2.163604 C#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000038162 [1,1,0,0,0,0|0,0,2]=4 6009 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 34a_100000034668_100015514636 [1,1,0,0,0,0|0,0,2]=4 6010 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 7a_100000034668_100015514636 [1,1,0,0,0,0|0,0,2]=4 6011 B16R2.163604 CCCCc1ccc2c(=O)ccoc2c1 271570a_100020621405_100010062221 [1,1,0,0,0,0|2,0,0]=4 6012 B16R2.163604 CCCCc1ccc2c(cccc2c1)N 271570a_100020621405_100010090037 [1,1,0,0,0,0|1,0,0]=3 6013 B16R2.163604 CCCCc1ccc2c(cccc2c1)O 271570a_100020621405_100010202202 [1,1,0,0,0,0|1,0,0]=3 6014 B16R2.163604 CCCCc1ccc2c(ccnc2c1)C 271570a_100020621405_100010132309 [1,1,0,0,0,0|2,0,0]=4 6015 B16R2.163604 CCCCc1ccc2c(ccnc2c1)Cl 271570a_100020621405_100009996786 [1,1,0,0,0,0|2,0,0]=4 6016 B16R2.163604 CCCCc1ccc2c(ccnc2c1)N 271570a_100020621405_200009816820 [1,1,0,0,0,0|2,0,0]=4 6017 B16R2.163604 CCCCc1ccc2c(ccnc2c1)O 271570a_100020621405_100000756855 [1,1,0,0,0,0|2,0,0]=4 6018 B16R2.163604 CCCCc1ccc2c(nccc2c1)N 271570a_100020621405_100000732483 [1,1,0,0,0,0|2,0,0]=4 6019 B16R2.163604 CCCCc1ccc2c(nccc2c1)O 271570a_100020621405_100000760485 [1,1,0,0,0,0|2,0,0]=4 6020 B16R2.163604 CCCCc1cnc2c(cccc2c1)Br 271570a_100020621405_100010204298 [1,1,0,0,0,0|2,0,0]=4 6021 B16R2.163604 CCCCc1cnc2c(cccc2c1)C 271570a_100020621405_100009829671 [1,1,0,0,0,0|2,0,0]=4 6022 B16R2.163604 CCCCc1cnc2c(cccc2c1)Cl 271570a_100020621405_100000759377 [1,1,0,0,0,0|2,0,0]=4 6023 B16R2.163604 CCCCc1cnc2c(cccc2c1)F 271570a_100020621405_100000049890 [1,1,0,0,0,0|2,0,0]=4 6024 B16R2.163604 CCCCc1cnc2c(cccc2c1)N 271570a_100020621405_100000702407 [1,1,0,0,0,0|2,0,0]=4 6025 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210303 [1,1,0,0,0,0|1,0,0]=3 6026 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210303 [1,1,0,0,0,0|1,0,0]=3 6027 B16R2.163604 CCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210303 [1,1,0,0,0,0|1,0,0]=3 6028 B16R2.163604 CCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210303 [1,1,0,0,0,0|1,0,0]=3 6029 B16R2.163604 CCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210303 [1,1,0,0,0,0|1,0,0]=3 6030 B16R2.163604 CCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210303 [1,1,0,0,0,0|1,0,0]=3 6031 B16R2.163604 CCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210303 [1,1,0,0,0,0|0,0,0]=2 6032 B16R2.163604 CCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210303 [1,1,0,0,0,0|0,0,0]=2 6033 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210303 [1,1,0,0,0,0|1,0,0]=3 6034 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210303 [1,1,0,0,0,0|1,0,0]=3 6035 B16R2.163604 CCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210303 [1,1,0,0,0,0|1,0,0]=3 6036 B16R2.163604 CCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210303 [1,1,0,0,0,0|1,0,0]=3 6037 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210303 [1,1,0,0,0,0|1,0,0]=3 6038 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210303 [1,1,0,0,0,0|1,0,0]=3 6039 B16R2.163604 CCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210303 [1,1,0,0,0,0|1,0,0]=3 6040 B16R2.163604 CCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210303 [1,1,0,0,0,0|1,0,0]=3 6041 B16R2.163604 CCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210303 [1,1,0,0,0,0|1,0,0]=3 6042 B16R2.163604 CCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210303 [1,1,0,0,0,0|1,0,0]=3 6043 B16R2.163604 CCCSc1ccc2c(=O)ccoc2c1 62a_100000210303_100010062221 [1,1,0,0,0,0|1,1,0]=4 6044 B16R2.163604 CCCSc1ccc2c(cccc2c1)N 62a_100000210303_100010090037 [1,1,0,0,0,0|0,1,0]=3 6045 B16R2.163604 CCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210303 [1,1,0,0,0,0|0,1,0]=3 6046 B16R2.163604 CCCSc1ccc2c(cccc2c1)O 62a_100000210303_100010202202 [1,1,0,0,0,0|0,1,0]=3 6047 B16R2.163604 CCCSc1ccc2c(ccnc2c1)C 62a_100000210303_100010132309 [1,1,0,0,0,0|1,1,0]=4 6048 B16R2.163604 CCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000210303 [1,1,0,0,0,0|1,1,0]=4 6049 B16R2.163604 CCCSc1ccc2c(ccnc2c1)Cl 62a_100000210303_100009996786 [1,1,0,0,0,0|1,1,0]=4 6050 B16R2.163604 CCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210303 [1,1,0,0,0,0|1,1,0]=4 6051 B16R2.163604 CCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210303 [1,1,0,0,0,0|1,1,0]=4 6052 B16R2.163604 CCCSc1ccc2c(ccnc2c1)O 62a_100000210303_100000756855 [1,1,0,0,0,0|1,1,0]=4 6053 B16R2.163604 CCCSc1ccc2c(nccc2c1)N 62a_100000210303_100000732483 [1,1,0,0,0,0|1,1,0]=4 6054 B16R2.163604 CCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210303 [1,1,0,0,0,0|1,1,0]=4 6055 B16R2.163604 CCCSc1ccc2c(nccc2c1)O 62a_100000210303_100000760485 [1,1,0,0,0,0|1,1,0]=4 6056 B16R2.163604 CCCSc1cnc2c(cccc2c1)Br 62a_100000210303_100010204298 [1,1,0,0,0,0|1,1,0]=4 6057 B16R2.163604 CCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210303 [1,1,0,0,0,0|1,1,0]=4 6058 B16R2.163604 CCCSc1cnc2c(cccc2c1)C 62a_100000210303_100009829671 [1,1,0,0,0,0|1,1,0]=4 6059 B16R2.163604 CCCSc1cnc2c(cccc2c1)Cl 62a_100000210303_100000759377 [1,1,0,0,0,0|1,1,0]=4 6060 B16R2.163604 CCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210303 [1,1,0,0,0,0|1,1,0]=4 6061 B16R2.163604 CCCSc1cnc2c(cccc2c1)F 62a_100000210303_100000049890 [1,1,0,0,0,0|1,1,0]=4 6062 B16R2.163604 CCCSc1cnc2c(cccc2c1)N 62a_100000210303_100000702407 [1,1,0,0,0,0|1,1,0]=4 6063 B16R2.163604 COCSc1ccc2c(cccc2c1)N 62a_100000766300_100010090037 [1,1,0,0,0,0|1,1,0]=4 6064 B16R2.163604 COCSc1ccc2c(cccc2c1)N 62a_100010090037_100000766300 [1,1,0,0,0,0|1,1,0]=4 6065 B16R2.163604 COCSc1ccc2c(cccc2c1)O 62a_100000766300_100010202202 [1,1,0,0,0,0|1,1,0]=4 6066 B16R2.163604 CSCNc1ccc2c(cccc2c1)O 34a_100000035793_100011218213 [1,1,0,0,0,0|2,0,0]=4 6067 B16R2.163604 CSCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011218213 [1,1,0,0,0,0|2,0,0]=4 6068 B16R2.163604 CSCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100011218213 [1,1,0,0,0,0|2,0,0]=4 6069 B16R2.163604 CSCOc1ccc2c(cccc2c1)N 34a_100000034668_100011218213 [1,1,0,0,0,0|1,0,0]=3 6070 B16R2.163604 CSCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011218213 [1,1,0,0,0,0|2,0,0]=4 6071 B16R2.163604 CSCOc1ccc2c(ccnc2c1)C 34a_200009854145_100011218213 [1,1,0,0,0,0|2,0,0]=4 6072 B16R2.163604 CSCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011218213 [1,1,0,0,0,0|2,0,0]=4 6073 B16R2.163604 CSCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011218213 [1,1,0,0,0,0|2,0,0]=4 6074 B16R2.163604 CSCOc1cnc2c(cccc2c1)F 34a_100012184956_100011218213 [1,1,0,0,0,0|2,0,0]=4 6075 B16R2.163604 CSCSc1ccc2c(cccc2c1)N 62a_100010090037_100011218213 [1,1,0,0,0,0|1,1,0]=4 6076 B16R2.163604 CSCSc1ccc2c(cccc2c1)N 62a_100011218213_100010090037 [1,1,0,0,0,0|1,1,0]=4 6077 B16R2.163604 CSCSc1ccc2c(cccc2c1)O 62a_100011218213_100010202202 [1,1,0,0,0,0|1,1,0]=4 6078 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCF 34a_200009854145_100011217306 [1,1,0,0,0,0|2,0,0]=4 6079 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCF 7a_200009854145_100011217306 [1,1,0,0,0,0|2,0,0]=4 6080 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCO 34a_200009854145_100000211926 [1,1,0,0,0,0|2,0,0]=4 6081 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCO 7a_200009854145_100000211926 [1,1,0,0,0,0|2,0,0]=4 6082 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011217306 [1,1,0,0,0,0|2,0,0]=4 6083 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011217306 [1,1,0,0,0,0|2,0,0]=4 6084 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011217306 [1,1,0,0,0,0|2,0,0]=4 6085 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011217306 [1,1,0,0,0,0|2,0,0]=4 6086 B16R2.163604 FCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011217306 [1,1,0,0,0,0|2,0,0]=4 6087 B16R2.163604 FCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011217306 [1,1,0,0,0,0|2,0,0]=4 6088 B16R2.163604 FCCOc1cnc2c(cccc2c1)F 34a_100012184956_100011217306 [1,1,0,0,0,0|2,0,0]=4 6089 B16R2.163604 FCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011217306 [1,1,0,0,0,0|2,0,0]=4 6090 B16R2.163604 N#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100011215382 [1,1,0,0,0,0|1,0,1]=4 6091 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 34a_100000034668_200009817547 [1,1,0,0,0,0|1,0,1]=4 6092 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 7a_100000034668_200015260668 [1,1,0,0,0,0|1,0,1]=4 6093 B16R2.163604 Nc1cccc2c1ccc(c2)OCCF 34a_100000034668_100011217306 [1,1,0,0,0,0|1,0,0]=3 6094 B16R2.163604 Nc1cccc2c1ccc(c2)OCCF 7a_100000034668_100011217306 [1,1,0,0,0,0|1,0,0]=3 6095 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 34a_100000034668_100000211926 [1,1,0,0,0,0|1,0,0]=3 6096 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 7a_100000034668_100000211926 [1,1,0,0,0,0|1,0,0]=3 6097 B16R2.163604 Nc1cccc2c1ccc(c2)SCCF 62a_100010090037_100011217306 [1,1,0,0,0,0|1,1,0]=4 6098 B16R2.163604 Nc1cccc2c1ccc(c2)SCCF 62a_100011217306_100010090037 [1,1,0,0,0,0|1,1,0]=4 6099 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100000211926_100010090037 [1,1,0,0,0,0|1,1,0]=4 6100 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100010090037_100000211926 [1,1,0,0,0,0|1,1,0]=4 6101 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCF 34a_100009857879_100011217306 [1,1,0,0,0,0|2,0,0]=4 6102 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCF 7a_100009857879_100011217306 [1,1,0,0,0,0|2,0,0]=4 6103 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCO 34a_100009857879_100000211926 [1,1,0,0,0,0|2,0,0]=4 6104 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCO 7a_100009857879_100000211926 [1,1,0,0,0,0|2,0,0]=4 6105 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCF 34a_200000065989_100011217306 [1,1,0,0,0,0|2,0,0]=4 6106 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCF 7a_200000065989_100011217306 [1,1,0,0,0,0|2,0,0]=4 6107 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCO 34a_200000065989_100000211926 [1,1,0,0,0,0|2,0,0]=4 6108 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCO 7a_200000065989_100000211926 [1,1,0,0,0,0|2,0,0]=4 6109 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000211926 [1,1,0,0,0,0|2,0,0]=4 6110 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000211926 [1,1,0,0,0,0|2,0,0]=4 6111 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000211926 [1,1,0,0,0,0|2,0,0]=4 6112 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000211926 [1,1,0,0,0,0|2,0,0]=4 6113 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000211926 [1,1,0,0,0,0|2,0,0]=4 6114 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000211926 [1,1,0,0,0,0|2,0,0]=4 6115 B16R2.163604 OCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000211926 [1,1,0,0,0,0|2,0,0]=4 6116 B16R2.163604 OCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000211926 [1,1,0,0,0,0|2,0,0]=4 6117 B16R2.163604 OCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000211926 [1,1,0,0,0,0|2,0,0]=4 6118 B16R2.163604 OCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000211926 [1,1,0,0,0,0|2,0,0]=4 6119 B16R2.163604 OCCSc1ccc2c(cccc2c1)O 62a_100000211926_100010202202 [1,1,0,0,0,0|1,1,0]=4 6120 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 34a_100000035793_100011217306 [1,1,0,0,0,0|2,0,0]=4 6121 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 7a_100000035793_100011217306 [1,1,0,0,0,0|2,0,0]=4 6122 B16R2.163604 Oc1cccc2c1ccc(c2)SCCF 62a_100011217306_100010202202 [1,1,0,0,0,0|1,1,0]=4 6123 B16R2.14 CCC(C)COc1csc2c1cccc2 34a_100000077758_100000748023 [0,1,0,0,1,0|1,0,0]=3 6124 B16R2.14 CCC(C)COc1csc2c1cccc2 7a_100000077758_100000748023 [0,1,0,0,1,0|1,0,0]=3 6125 B16R2.14 CCC(C)CSc1coc2c1cccc2 62a_100000748023_100009812202 [0,1,0,0,1,0|1,1,0]=4 6126 B16R2.14 CCC(O)COc1csc2c1cccc2 34a_100000077758_100011218378 [0,1,0,0,1,0|2,0,0]=4 6127 B16R2.14 CCC(O)COc1csc2c1cccc2 7a_100000077758_100011218378 [0,1,0,0,1,0|2,0,0]=4 6128 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 34a_100000077758_100009816398 [0,1,0,0,1,0|1,0,0]=3 6129 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 7a_100000077758_100009816398 [0,1,0,0,1,0|1,0,0]=3 6130 B16R2.14 CC[C@H](C)CSc1coc2c1cccc2 62a_100009816398_100009812202 [0,1,0,0,1,0|1,1,0]=4 6131 B16R2.14 CNC(C)CCc1c[nH]c2c1cccc2 270004a_106832991635_100102524982 [0,1,0,0,1,0|2,0,0]=4 6132 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 34a_100000077758_100000059175 [0,1,0,0,1,0|1,0,0]=3 6133 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 7a_100000077758_100000059175 [0,1,0,0,1,0|1,0,0]=3 6134 B16R2.14 C[C@@H](CO)CSc1coc2c1cccc2 62a_100000059175_100009812202 [0,1,0,0,1,0|1,1,0]=4 6135 B16R2.14 C[C@@H](CO)CSc1csc2c1cccc2 62a_100000059175_100009813928 [0,1,0,0,1,0|1,1,0]=4 6136 B16R2.14 OCC(O)COc1csc2c1cccc2 34a_100000077758_100011219619 [0,1,0,0,1,0|2,0,0]=4 6137 B16R2.14 OCC(O)COc1csc2c1cccc2 7a_100000077758_100011219619 [0,1,0,0,1,0|2,0,0]=4 6138 B16R2.14 OC[C@H](O)COc1csc2c1cccc2 34a_100000077758_100009815848 [0,1,0,0,1,0|2,0,0]=4 6139 B16R2.14 OC[C@H](O)COc1csc2c1cccc2 7a_100000077758_100009815848 [0,1,0,0,1,0|2,0,0]=4 6140 B16R2.14 O[C@@H](CF)COc1csc2c1cccc2 34a_100000077758_100015614560 [0,1,0,0,1,0|2,0,0]=4 6141 B16R2.14 O[C@@H](CF)COc1csc2c1cccc2 7a_100000077758_100015614560 [0,1,0,0,1,0|2,0,0]=4 6142 B16R2.520 CC(C)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210624 [0,1,0,0,1,0|1,0,1]=4 6143 B16R2.520 CC(C)CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210624 [0,1,0,0,1,0|1,0,1]=4 6144 B16R2.520 CC(C)C[C@H](N)c1coc2c1cccc2 271570a_100015190218_100009812202 [0,1,0,0,1,0|2,0,0]=4 6145 B16R2.520 CC(C)C[C@H](N)c1csc2c1cccc2 271570a_100015190218_100009813928 [0,1,0,0,1,0|2,0,0]=4 6146 B16R2.2947 CC(C)(C)COc1csc2c1cccc2 34a_100000077758_100011219605 [0,1,0,0,1,0|1,0,0]=3 6147 B16R2.2947 CC(C)(C)CSc1coc2c1cccc2 62a_100011219605_100009812202 [0,1,0,0,1,0|1,1,0]=4 6148 B16R2.2947 CC(C)(F)COc1csc2c1cccc2 34a_100000077758_100011997219 [0,1,0,0,1,0|1,0,0]=3 6149 B16R2.2947 CC(C)(F)CSc1coc2c1cccc2 62a_100011997219_100009812202 [0,1,0,0,1,0|1,1,0]=4 6150 B16R2.2947 CC(C)(F)CSc1csc2c1cccc2 62a_100011997219_100009813928 [0,1,0,0,1,0|1,1,0]=4 6151 B16R2.2947 CC(C)(O)COc1csc2c1cccc2 34a_100000077758_100000764493 [0,1,0,0,1,0|1,0,0]=3 6152 B16R2.2947 CC(C)(O)COc1csc2c1cccc2 7a_100000077758_100000764493 [0,1,0,0,1,0|1,0,0]=3 6153 B16R2.2947 CC(C)(O)CSc1coc2c1cccc2 62a_100000764493_100009812202 [0,1,0,0,1,0|1,1,0]=4 6154 B16R2.2947 CC(C)(O)CSc1csc2c1cccc2 62a_100000764493_100009813928 [0,1,0,0,1,0|1,1,0]=4 6155 B16R2.2947 C[Si](C)(C)COc1csc2c1cccc2 7a_100000077758_100000233785 [0,1,0,0,1,0|1,1,0]=4 6156 B16R2.2976 CC(C)NN=C1C=Cc2c1ccc(c2)Br 4a_100000741168_100010210589 [0,1,0,0,1,0|2,0,0]=4 6157 B16R2.4003 Cc1oc2ccccc2c1SCC(C)C 62a_100000210624_200010236113 [0,1,0,0,1,0|1,1,0]=4 6158 B16R2.4003 Cc1sc2ccccc2c1SCC(C)C 62a_100000210624_100010002616 [0,1,0,0,1,0|1,1,0]=4 6159 B16R2.4003 Cc1sc2ccccc2c1SCC(C)C 62a_100010002616_100000210760 [0,1,0,0,1,0|1,1,0]=4 6160 B16R2.15551 CC(C)CSc1csc2c1cc(cc2)N 62a_100000210624_100011178648 [0,1,0,0,1,0|1,1,0]=4 6161 B16R2.15551 CC(C)CSc1csc2c1cc(cc2)N 62a_100011178648_100000210760 [0,1,0,0,1,0|1,1,0]=4 6162 B16R2.22833 Cc1cccc2c1onc2OCC(C)C 34a_100000041175_100000210624 [0,1,0,0,1,0|2,0,0]=4 6163 B16R2.22904 CC(C)COc1noc2c1c(ccc2)F 34a_100009888067_100000210624 [0,1,0,0,1,0|2,0,0]=4 6164 B16R2.1181 CCC(C)CSc1cc2ccccc2[nH]1 62a_100000748023_100010232065 [0,1,0,0,1,0|1,1,0]=4 6165 B16R2.1181 CCC(C)CSc1cc2ccccc2o1 62a_100000748023_100010159458 [0,1,0,0,1,0|1,1,0]=4 6166 B16R2.1181 CC[C@H](C)CSc1cc2ccccc2[nH]1 62a_100009816398_100010232065 [0,1,0,0,1,0|1,1,0]=4 6167 B16R2.1181 CC[C@H](C)CSc1cc2ccccc2o1 62a_100009816398_100010159458 [0,1,0,0,1,0|1,1,0]=4 6168 B16R2.1181 C[C@@H](CO)CSc1cc2ccccc2[nH]1 62a_100000059175_100010232065 [0,1,0,0,1,0|1,1,0]=4 6169 B16R2.1181 C[C@@H](CO)CSc1cc2ccccc2o1 62a_100000059175_100010159458 [0,1,0,0,1,0|1,1,0]=4 6170 B16R2.1181 C[C@@H](CO)CSc1cc2ccccc2s1 62a_100000059175_100009816949 [0,1,0,0,1,0|1,1,0]=4 6171 B16R2.3356 CC(C)COc1cc2ccccc2n1C 34a_100000066695_100000210624 [0,1,0,0,1,0|1,0,0]=3 6172 B16R2.3356 CC(O)COc1cc2ccccc2n1C 34a_100000066695_100011218427 [0,1,0,0,1,0|2,0,0]=4 6173 B16R2.3356 C[C@@H](O)COc1cc2ccccc2n1C 34a_100000066695_100009817552 [0,1,0,0,1,0|2,0,0]=4 6174 B16R2.3356 Cc1c(sc2c1cccc2)SCC(C)C 62a_100000210624_200010198769 [0,1,0,0,1,0|1,1,0]=4 6175 B16R2.6707 CC(C)(C)CSc1cc2ccccc2[nH]1 62a_100011219605_100010232065 [0,1,0,0,1,0|1,1,0]=4 6176 B16R2.6707 CC(C)(C)CSc1cc2ccccc2o1 62a_100011219605_100010159458 [0,1,0,0,1,0|1,1,0]=4 6177 B16R2.6707 CC(C)(F)CSc1cc2ccccc2[nH]1 62a_100011997219_100010232065 [0,1,0,0,1,0|1,1,0]=4 6178 B16R2.6707 CC(C)(F)CSc1cc2ccccc2o1 62a_100011997219_100010159458 [0,1,0,0,1,0|1,1,0]=4 6179 B16R2.6707 CC(C)(F)CSc1cc2ccccc2s1 62a_100011997219_100009816949 [0,1,0,0,1,0|1,1,0]=4 6180 B16R2.6707 CC(C)(O)CSc1cc2ccccc2[nH]1 62a_100000764493_100010232065 [0,1,0,0,1,0|1,1,0]=4 6181 B16R2.6707 CC(C)(O)CSc1cc2ccccc2o1 62a_100000764493_100010159458 [0,1,0,0,1,0|1,1,0]=4 6182 B16R2.6707 CC(C)(O)CSc1cc2ccccc2s1 62a_100000764493_100009816949 [0,1,0,0,1,0|1,1,0]=4 6183 B16R2.11592 CC(C)CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210624 [0,1,0,0,1,0|1,0,1]=4 6184 B16R2.11592 CC(C)C[C@H](N)c1cc2ccccc2[nH]1 271570a_100015190218_100010232065 [0,1,0,0,1,0|2,0,0]=4 6185 B16R2.11592 CC(C)C[C@H](N)c1cc2ccccc2o1 271570a_100015190218_100010159458 [0,1,0,0,1,0|2,0,0]=4 6186 B16R2.11592 CC(C)C[C@H](N)c1cc2ccccc2s1 271570a_100015190218_100009816949 [0,1,0,0,1,0|2,0,0]=4 6187 B16R2.12099 CC(C)CSc1cc2cc(ccc2[nH]1)Br 62a_100000210624_100011012855 [0,1,0,0,1,0|1,1,0]=4 6188 B16R2.12099 CC(C)CSc1cc2cc(ccc2[nH]1)Br 62a_100011012855_100000210760 [0,1,0,0,1,0|1,1,0]=4 6189 B16R2.22630 CC(C)CSc1cc2cccc(c2[nH]1)Br 62a_100000210624_100135389745 [0,1,0,0,1,0|1,1,0]=4 6190 B16R2.22630 CC(C)CSc1cc2cccc(c2[nH]1)Br 62a_100135389745_100000210760 [0,1,0,0,1,0|1,1,0]=4 6191 B16R2.3989 CC(=Cc1cc2ccccc2cc1Cl)C 271570a_100102525489_100010152806 [0,1,0,0,1,0|0,0,2]=4 6192 B16R2.3989 CC(=Cc1cc2ccccc2cc1N)C 271570a_100102525489_100009991566 [0,1,0,0,1,0|0,0,2]=4 6193 B16R2.3989 CC(=Cc1cc2ccccc2cc1O)C 271570a_100102525489_100009817189 [0,1,0,0,1,0|0,0,2]=4 6194 B16R2.3989 CC(C)Nc1cc2ccccc2cc1Br 34a_100009991566_100000210206 [0,1,0,0,1,0|1,0,0]=3 6195 B16R2.3989 CC(C)Nc1cc2ccccc2cc1Br 7a_100009991566_100000210206 [0,1,0,0,1,0|1,0,0]=3 6196 B16R2.3989 CC(C)Oc1cc2ccccc2cc1Br 34a_100009817189_100000210206 [0,1,0,0,1,0|0,0,0]=2 6197 B16R2.3989 CC(C)Oc1cc2ccccc2cc1Br 7a_100009817189_100000210206 [0,1,0,0,1,0|0,0,0]=2 6198 B16R2.3989 CC(C)Oc1cc2ccccc2cc1N 34a_106744474703_100000210206 [0,1,0,0,1,0|0,0,0]=2 6199 B16R2.3989 CC(C)Oc1cc2ccccc2cc1N 7a_106744474703_100000210206 [0,1,0,0,1,0|0,0,0]=2 6200 B16R2.3989 CC(C)Oc1cc2ccccc2nc1Cl 34a_200000100762_100000210206 [0,1,0,0,1,0|1,0,0]=3 6201 B16R2.3989 CC(C)Oc1cc2ccccc2nc1Cl 7a_200000100762_100000210206 [0,1,0,0,1,0|1,0,0]=3 6202 B16R2.3989 CC(C)Oc1cc2ccccc2oc1=O 7a_100000061252_100000210206 [0,1,0,0,1,0|1,0,0]=3 6203 B16R2.3989 CC(C)Oc1cc2cccnc2cc1Br 34a_200010153759_100000210206 [0,1,0,0,1,0|1,0,0]=3 6204 B16R2.3989 CC(C)Oc1cc2cccnc2cc1Br 7a_200010153759_100000210206 [0,1,0,0,1,0|1,0,0]=3 6205 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Cl 62a_100000210206_100010152806 [0,1,0,0,1,0|0,1,0]=3 6206 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Cl 62a_100010152806_100000210206 [0,1,0,0,1,0|0,1,0]=3 6207 B16R2.3989 CC(C)Sc1cc2ccccc2cc1N 62a_100000210206_100009991566 [0,1,0,0,1,0|0,1,0]=3 6208 B16R2.3989 CC(C)Sc1cc2ccccc2cc1N 62a_100009991566_100000210206 [0,1,0,0,1,0|0,1,0]=3 6209 B16R2.3989 CC(C)Sc1cc2ccccc2cc1O 62a_100000210206_100009817189 [0,1,0,0,1,0|0,1,0]=3 6210 B16R2.3989 CC(C)Sc1cc2ccccc2nc1Cl 62a_100000210206_100010220712 [0,1,0,0,1,0|1,1,0]=4 6211 B16R2.3989 CC(C)Sc1cc2ccccc2nc1F 62a_100000210206_100011158909 [0,1,0,0,1,0|1,1,0]=4 6212 B16R2.3989 CC(C)Sc1cc2ccccc2nc1F 62a_100011158909_100000210206 [0,1,0,0,1,0|1,1,0]=4 6213 B16R2.3989 CC(C)Sc1cc2ccccc2nc1N 62a_100010135404_100000210206 [0,1,0,0,1,0|1,1,0]=4 6214 B16R2.3989 CC(C)Sc1cc2ccccc2nc1O 62a_100000210206_200009820883 [0,1,0,0,1,0|1,1,0]=4 6215 B16R2.3989 CC(C)Sc1cc2ccccc2oc1=O 62a_100000210206_200000187772 [0,1,0,0,1,0|1,1,0]=4 6216 B16R2.3989 CC(C)Sc1cc2cccnc2cc1F 62a_100000210206_100009854028 [0,1,0,0,1,0|1,1,0]=4 6217 B16R2.3989 CC(C)Sc1cc2cccnc2cc1F 62a_100009854028_100000210206 [0,1,0,0,1,0|1,1,0]=4 6218 B16R2.3989 CC(C)Sc1cc2ccncc2cc1F 62a_100000210206_100011105921 [0,1,0,0,1,0|1,1,0]=4 6219 B16R2.3989 CC(C)Sc1cc2ccncc2cc1F 62a_100011105921_100000210206 [0,1,0,0,1,0|1,1,0]=4 6220 B16R2.3989 CC(C)Sc1cc2cnccc2cc1F 62a_100000210206_100010244713 [0,1,0,0,1,0|1,1,0]=4 6221 B16R2.3989 CC(C)Sc1cc2cnccc2cc1F 62a_100010244713_100000210206 [0,1,0,0,1,0|1,1,0]=4 6222 B16R2.3989 CC(C)Sc1cc2ncccc2cc1O 62a_100000210206_200010153759 [0,1,0,0,1,0|1,1,0]=4 6223 B16R2.3989 CC(C)Sc1nc2ccccc2cc1Br 62a_100000210206_100010072790 [0,1,0,0,1,0|1,1,0]=4 6224 B16R2.3989 CC(C)Sc1nc2ccccc2cc1Br 62a_100010072790_100000210206 [0,1,0,0,1,0|1,1,0]=4 6225 B16R2.3989 CC(C)Sc1nc2ccccc2cc1O 62a_100000210206_200000100762 [0,1,0,0,1,0|1,1,0]=4 6226 B16R2.3989 CN(C)Cc1cc2ccccc2nc1Cl 2230a_100102631434_100000189640 [0,1,0,0,1,0|2,0,0]=4 6227 B16R2.3989 CN(C)Cc1cc2ccccc2nc1O 270004a_100102631434_100000184424 [0,1,0,0,1,0|2,0,0]=4 6228 B16R2.3989 Cc1cc2ccccc2cc1OC(C)C 34a_100000091601_100000210206 [0,1,0,0,1,0|0,0,0]=2 6229 B16R2.3989 Cc1cc2ccccc2cc1OC(C)C 7a_100000091601_100000210206 [0,1,0,0,1,0|0,0,0]=2 6230 B16R2.3989 Cc1cc2ccccc2nc1NC(C)C 27a_100138425928_100000751756 [0,1,0,0,1,0|2,0,0]=4 6231 B16R2.3989 Cc1cc2ccccc2nc1SC(C)C 62a_100000210206_100000751756 [0,1,0,0,1,0|1,1,0]=4 6232 B16R2.3989 Cc1cc2ncccc2cc1SC(C)C 62a_100000210206_100010137429 [0,1,0,0,1,0|1,1,0]=4 6233 B16R2.3989 Cc1cc2ncccc2cc1SC(C)C 62a_100010137429_100000210206 [0,1,0,0,1,0|1,1,0]=4 6234 B16R2.3989 Cc1nc2ccccc2cc1OC(C)C 34a_200000079175_100000210206 [0,1,0,0,1,0|1,0,0]=3 6235 B16R2.3989 Cc1nc2ccccc2cc1OC(C)C 7a_200000079175_100000210206 [0,1,0,0,1,0|1,0,0]=3 6236 B16R2.6284 CC(=C(C)c1ccc2ccccc2c1)C 271570a_200000049429_100000233703 [0,1,0,0,1,0|0,0,2]=4 6237 B16R2.6284 CC(C)C(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210206 [0,1,0,0,1,0|0,0,1]=3 6238 B16R2.6284 CC(C)C(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210206 [0,1,0,0,1,0|1,0,1]=4 6239 B16R2.6284 CC(C)C(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210206 [0,1,0,0,1,0|1,0,1]=4 6240 B16R2.6284 CC(C)C(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210206 [0,1,0,0,1,0|1,0,1]=4 6241 B16R2.6284 CC(C)C(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210206 [0,1,0,0,1,0|1,0,1]=4 6242 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 2230a_100000181211_100000210206 [0,1,0,0,1,0|1,0,0]=3 6243 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 269982a_100000181211_100000210206 [0,1,0,0,1,0|1,0,0]=3 6244 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 34a_100000181211_100000210206 [0,1,0,0,1,0|1,0,0]=3 6245 B16R2.6284 CC(C)N(C)c1ccc2ccccc2n1 27a_200000211004_100011291633 [0,1,0,0,1,0|2,0,0]=4 6246 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)C 2230a_100000744356_200000210301 [0,1,0,0,1,0|1,0,0]=3 6247 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)C 269982a_100000744356_200000210301 [0,1,0,0,1,0|1,0,0]=3 6248 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)[13CH3] 2230a_100000744356_200025704644 [0,1,0,0,1,0|1,0,0]=3 6249 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)[13CH3] 269982a_100000744356_200025704644 [0,1,0,0,1,0|1,0,0]=3 6250 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 11a_100102631434_100000210637 [0,1,0,0,1,0|1,0,1]=4 6251 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 1626a_100102631434_100000210637 [0,1,0,0,1,0|1,0,1]=4 6252 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 240690a_100102631434_100000210637 [0,1,0,0,1,0|1,0,1]=4 6253 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 527a_100102631434_100000210637 [0,1,0,0,1,0|1,0,1]=4 6254 B16R2.11975 CC(=Cc1ccc2ccc(cc2c1)N)C 271570a_100102525489_100010090036 [0,1,0,0,1,0|0,0,2]=4 6255 B16R2.11975 CC(=Cc1ccc2ccc(cc2c1)O)C 271570a_100102525489_100009816537 [0,1,0,0,1,0|0,0,2]=4 6256 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210206 [0,1,0,0,1,0|1,0,0]=3 6257 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210206 [0,1,0,0,1,0|1,0,0]=3 6258 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)O 34a_100015378740_100000210206 [0,1,0,0,1,0|1,0,0]=3 6259 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)O 7a_100015378740_100000210206 [0,1,0,0,1,0|1,0,0]=3 6260 B16R2.11975 CC(C)Nc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210206 [0,1,0,0,1,0|2,0,0]=4 6261 B16R2.11975 CC(C)Oc1cc2cc(ccc2cn1)F 34a_200000101709_100000210206 [0,1,0,0,1,0|1,0,0]=3 6262 B16R2.11975 CC(C)Oc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210206 [0,1,0,0,1,0|1,0,0]=3 6263 B16R2.11975 CC(C)Oc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210206 [0,1,0,0,1,0|1,0,0]=3 6264 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210206 [0,1,0,0,1,0|0,0,0]=2 6265 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210206 [0,1,0,0,1,0|0,0,0]=2 6266 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)N 34a_100015378740_100000210206 [0,1,0,0,1,0|0,0,0]=2 6267 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100000210206 [0,1,0,0,1,0|0,0,0]=2 6268 B16R2.11975 CC(C)Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210206 [0,1,0,0,1,0|1,0,0]=3 6269 B16R2.11975 CC(C)Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210206 [0,1,0,0,1,0|1,0,0]=3 6270 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210206 [0,1,0,0,1,0|1,0,0]=3 6271 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210206 [0,1,0,0,1,0|1,0,0]=3 6272 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210206 [0,1,0,0,1,0|1,0,0]=3 6273 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210206 [0,1,0,0,1,0|1,0,0]=3 6274 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)F 34a_100009845357_100000210206 [0,1,0,0,1,0|1,0,0]=3 6275 B16R2.11975 CC(C)Oc1ccc2ncc(cc2c1)F 7a_100009845357_100000210206 [0,1,0,0,1,0|1,0,0]=3 6276 B16R2.11975 CC(C)Oc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210206 [0,1,0,0,1,0|2,0,0]=4 6277 B16R2.11975 CC(C)Oc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210206 [0,1,0,0,1,0|1,0,0]=3 6278 B16R2.11975 CC(C)Oc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210206 [0,1,0,0,1,0|1,0,0]=3 6279 B16R2.11975 CC(C)Sc1cc2cc(ccc2cn1)F 62a_100000210206_100009828686 [0,1,0,0,1,0|1,1,0]=4 6280 B16R2.11975 CC(C)Sc1cc2cc(ccc2cn1)F 62a_100009828686_100000210206 [0,1,0,0,1,0|1,1,0]=4 6281 B16R2.11975 CC(C)Sc1ccc2cc[n+](cc2c1)[O-] 62a_100000210206_100009816120 [0,1,0,0,1,0|1,1,0]=4 6282 B16R2.11975 CC(C)Sc1ccc2ccc(=O)oc2c1 62a_100000210206_100009993525 [0,1,0,0,1,0|1,1,0]=4 6283 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)N 62a_100000210206_100010090036 [0,1,0,0,1,0|0,1,0]=3 6284 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)N 62a_100010090036_100000210206 [0,1,0,0,1,0|0,1,0]=3 6285 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)O 62a_100000210206_100009816537 [0,1,0,0,1,0|0,1,0]=3 6286 B16R2.11975 CC(C)Sc1ccc2ccc(cc2n1)O 62a_100000210206_100000079174 [0,1,0,0,1,0|1,1,0]=4 6287 B16R2.11975 CC(C)Sc1ccc2ccc(nc2c1)N 62a_100010187616_100000210206 [0,1,0,0,1,0|1,1,0]=4 6288 B16R2.11975 CC(C)Sc1ccc2ccc(nc2c1)O 62a_100000210206_100000690401 [0,1,0,0,1,0|1,1,0]=4 6289 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)F 62a_100000210206_100010291885 [0,1,0,0,1,0|1,1,0]=4 6290 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)F 62a_100010291885_100000210206 [0,1,0,0,1,0|1,1,0]=4 6291 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)N 62a_100000210206_100009817123 [0,1,0,0,1,0|1,1,0]=4 6292 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)N 62a_100009817123_100000210206 [0,1,0,0,1,0|1,1,0]=4 6293 B16R2.11975 CC(C)Sc1ccc2cnc(cc2c1)O 62a_100000210206_100009817130 [0,1,0,0,1,0|1,1,0]=4 6294 B16R2.11975 CC(C)Sc1ccc2ncc(cc2c1)Br 62a_100000210206_200010254249 [0,1,0,0,1,0|1,1,0]=4 6295 B16R2.11975 CC(C)Sc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210206 [0,1,0,0,1,0|1,1,0]=4 6296 B16R2.11975 CC(C)Sc1ccc2ncc(cc2c1)O 62a_100000210206_100000703654 [0,1,0,0,1,0|1,1,0]=4 6297 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Br 62a_100000210206_100010740133 [0,1,0,0,1,0|1,1,0]=4 6298 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210206 [0,1,0,0,1,0|1,1,0]=4 6299 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Cl 62a_100000210206_100015929906 [0,1,0,0,1,0|1,1,0]=4 6300 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210206 [0,1,0,0,1,0|1,1,0]=4 6301 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)N 62a_100000210206_100009888932 [0,1,0,0,1,0|1,1,0]=4 6302 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)N 62a_100009888932_100000210206 [0,1,0,0,1,0|1,1,0]=4 6303 B16R2.11975 CC(C)Sc1cnc2ccc(cc2c1)O 62a_100000210206_100010137430 [0,1,0,0,1,0|1,1,0]=4 6304 B16R2.11975 CN(C)Cc1ccc2ccc(cc2c1)Br 270004a_100102631434_100010200085 [0,1,0,0,1,0|1,0,0]=3 6305 B16R2.11975 CN(C)Cc1ccc2ccc(cc2n1)Cl 2230a_100102631434_100010196396 [0,1,0,0,1,0|2,0,0]=4 6306 B16R2.11975 CN(C)Cc1ccc2ccc(cc2n1)Cl 269982a_100102631434_100010196396 [0,1,0,0,1,0|2,0,0]=4 6307 B16R2.11975 CN(C)Cc1ccc2ccc(cc2n1)Cl 270004a_100102631434_100000083681 [0,1,0,0,1,0|2,0,0]=4 6308 B16R2.11975 CN(C)Cc1cnc2ccc(cc2c1)Br 270004a_100102631434_100010174008 [0,1,0,0,1,0|2,0,0]=4 6309 B16R2.11975 CN(C)Cc1cnc2ccc(cc2c1)Cl 270004a_100102631434_200000110299 [0,1,0,0,1,0|2,0,0]=4 6310 B16R2.11975 Cc1ccc2ccc(cc2c1)OC(C)C 34a_100000091598_100000210206 [0,1,0,0,1,0|0,0,0]=2 6311 B16R2.11975 Cc1ccc2ccc(cc2c1)OC(C)C 7a_100000091598_100000210206 [0,1,0,0,1,0|0,0,0]=2 6312 B16R2.11975 Cc1ccc2ccc(cc2n1)OC(C)C 34a_100009867695_100000210206 [0,1,0,0,1,0|1,0,0]=3 6313 B16R2.11975 Cc1ccc2ccc(cc2n1)OC(C)C 7a_100009867695_100000210206 [0,1,0,0,1,0|1,0,0]=3 6314 B16R2.11975 Cc1ccc2ccc(cc2n1)SC(C)C 62a_100000210206_100009817087 [0,1,0,0,1,0|1,1,0]=4 6315 B16R2.11975 Cc1ccc2ccc(cc2n1)SC(C)C 62a_100009817087_100000210206 [0,1,0,0,1,0|1,1,0]=4 6316 B16R2.11975 Cc1ccc2ncc(cc2c1)SC(C)C 62a_100000210206_100015841224 [0,1,0,0,1,0|1,1,0]=4 6317 B16R2.11975 Cc1cnc2ccc(cc2c1)SC(C)C 62a_100000210206_100009817055 [0,1,0,0,1,0|1,1,0]=4 6318 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)F)C 271570a_100102525489_100009817052 [0,1,0,0,1,0|0,0,2]=4 6319 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)N)C 271570a_100102525489_100000185457 [0,1,0,0,1,0|0,0,2]=4 6320 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)O)C 271570a_100102525489_100000185455 [0,1,0,0,1,0|0,0,2]=4 6321 B16R2.11988 CC(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000070787_100012356510 [0,1,0,0,1,0|1,0,1]=4 6322 B16R2.11988 CC(C)Nc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210206 [0,1,0,0,1,0|1,0,0]=3 6323 B16R2.11988 CC(C)Nc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210206 [0,1,0,0,1,0|1,0,0]=3 6324 B16R2.11988 CC(C)Nc1ccc2cc(ccc2n1)F 27a_100138425928_100011998705 [0,1,0,0,1,0|2,0,0]=4 6325 B16R2.11988 CC(C)Nc1ccc2cc(cnc2c1)Br 27a_100138425928_200015509644 [0,1,0,0,1,0|2,0,0]=4 6326 B16R2.11988 CC(C)Nc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210206 [0,1,0,0,1,0|2,0,0]=4 6327 B16R2.11988 CC(C)Nc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210206 [0,1,0,0,1,0|2,0,0]=4 6328 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210206 [0,1,0,0,1,0|0,0,0]=2 6329 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210206 [0,1,0,0,1,0|0,0,0]=2 6330 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210206 [0,1,0,0,1,0|0,0,0]=2 6331 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210206 [0,1,0,0,1,0|0,0,0]=2 6332 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)F 34a_100009847029_100000210206 [0,1,0,0,1,0|0,0,0]=2 6333 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100000210206 [0,1,0,0,1,0|0,0,0]=2 6334 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170441 [0,1,0,0,1,0|0,0,0]=2 6335 B16R2.11988 CC(C)Oc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210206 [0,1,0,0,1,0|1,0,0]=3 6336 B16R2.11988 CC(C)Oc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210206 [0,1,0,0,1,0|1,0,0]=3 6337 B16R2.11988 CC(C)Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210206 [0,1,0,0,1,0|1,0,0]=3 6338 B16R2.11988 CC(C)Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210206 [0,1,0,0,1,0|1,0,0]=3 6339 B16R2.11988 CC(C)Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210206 [0,1,0,0,1,0|2,0,0]=4 6340 B16R2.11988 CC(C)Oc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210206 [0,1,0,0,1,0|1,0,0]=3 6341 B16R2.11988 CC(C)Oc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210206 [0,1,0,0,1,0|1,0,0]=3 6342 B16R2.11988 CC(C)Oc1cnc2cc(ccc2c1)F 34a_100012184162_100000210206 [0,1,0,0,1,0|1,0,0]=3 6343 B16R2.11988 CC(C)Oc1cnc2cc(ccc2c1)F 7a_100012184162_100000210206 [0,1,0,0,1,0|1,0,0]=3 6344 B16R2.11988 CC(C)Sc1ccc2[nH]c(=O)ccc2c1 62a_100000210206_100011934725 [0,1,0,0,1,0|1,1,0]=4 6345 B16R2.11988 CC(C)Sc1ccc2c[n+](ccc2c1)C 62a_100000210206_100015191232 [0,1,0,0,1,0|1,1,0]=4 6346 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)F 62a_100000210206_100009817052 [0,1,0,0,1,0|0,1,0]=3 6347 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)F 62a_100009817052_100000210206 [0,1,0,0,1,0|0,1,0]=3 6348 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)N 62a_100000185457_100000210206 [0,1,0,0,1,0|0,1,0]=3 6349 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)N 62a_100000210206_100000185457 [0,1,0,0,1,0|0,1,0]=3 6350 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)O 62a_100000210206_100000185455 [0,1,0,0,1,0|0,1,0]=3 6351 B16R2.11988 CC(C)Sc1ccc2cc(ccc2n1)F 62a_100000210206_100011998705 [0,1,0,0,1,0|1,1,0]=4 6352 B16R2.11988 CC(C)Sc1ccc2cc(ccc2n1)F 62a_200012355665_100000210206 [0,1,0,0,1,0|1,1,0]=4 6353 B16R2.11988 CC(C)Sc1ccc2cc(ccc2n1)O 62a_100000210206_100009849208 [0,1,0,0,1,0|1,1,0]=4 6354 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)Br 62a_100000210206_200015509644 [0,1,0,0,1,0|1,1,0]=4 6355 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210206 [0,1,0,0,1,0|1,1,0]=4 6356 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)F 62a_100000210206_100010751466 [0,1,0,0,1,0|1,1,0]=4 6357 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)F 62a_100010751466_100000210206 [0,1,0,0,1,0|1,1,0]=4 6358 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)N 62a_100000210206_100010142226 [0,1,0,0,1,0|1,1,0]=4 6359 B16R2.11988 CC(C)Sc1ccc2cc(cnc2c1)N 62a_100010142226_100000210206 [0,1,0,0,1,0|1,1,0]=4 6360 B16R2.11988 CC(C)Sc1ccc2cc(ncc2c1)N 62a_100000210206_100010232990 [0,1,0,0,1,0|1,1,0]=4 6361 B16R2.11988 CC(C)Sc1ccc2cc(ncc2c1)N 62a_100010232990_100000210206 [0,1,0,0,1,0|1,1,0]=4 6362 B16R2.11988 CC(C)Sc1ccc2nc(ccc2c1)Cl 62a_100000210206_200012034268 [0,1,0,0,1,0|1,1,0]=4 6363 B16R2.11988 CC(C)Sc1ccc2nc(ccc2c1)N 62a_100011934619_100000210206 [0,1,0,0,1,0|1,1,0]=4 6364 B16R2.11988 CC(C)Sc1ccc2oc(=O)ccc2c1 62a_100000210206_100009999946 [0,1,0,0,1,0|1,1,0]=4 6365 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)Cl 62a_100000210206_100015716233 [0,1,0,0,1,0|1,1,0]=4 6366 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210206 [0,1,0,0,1,0|1,1,0]=4 6367 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)N 62a_100000210206_200010264087 [0,1,0,0,1,0|1,1,0]=4 6368 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)N 62a_200010264087_100000210206 [0,1,0,0,1,0|1,1,0]=4 6369 B16R2.11988 CC(C)Sc1cnc2cc(ccc2c1)O 62a_100000210206_200010153753 [0,1,0,0,1,0|1,1,0]=4 6370 B16R2.11988 CN(C)Cc1cc2ccc(cc2cn1)Cl 2230a_100102631434_200010408301 [0,1,0,0,1,0|2,0,0]=4 6371 B16R2.11988 CN(C)Cc1cc2ccc(cc2cn1)Cl 269982a_100102631434_200010408301 [0,1,0,0,1,0|2,0,0]=4 6372 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 2230a_100102631434_100012356510 [0,1,0,0,1,0|1,0,0]=3 6373 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 269982a_100102631434_100012356510 [0,1,0,0,1,0|1,0,0]=3 6374 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 270004a_100102631434_100012356508 [0,1,0,0,1,0|1,0,0]=3 6375 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)O 270004a_100102631434_100000067190 [0,1,0,0,1,0|1,0,0]=3 6376 B16R2.11988 CN(C)Cc1ccc2cc(ccc2n1)Cl 270004a_100102631434_100000059782 [0,1,0,0,1,0|2,0,0]=4 6377 B16R2.11988 CN(C)Cc1ccc2cc(ccc2n1)F 270004a_100102631434_100000068074 [0,1,0,0,1,0|2,0,0]=4 6378 B16R2.11988 CN(C)Cc1ccc2cc(cnc2c1)Br 270004a_100102631434_100010114372 [0,1,0,0,1,0|2,0,0]=4 6379 B16R2.11988 CN(C)Cc1ccc2nc(ccc2c1)Cl 270004a_100102631434_100000087602 [0,1,0,0,1,0|2,0,0]=4 6380 B16R2.11988 CN(C)Cc1ccc2oc(=O)ccc2c1 2230a_100102631434_200010983872 [0,1,0,0,1,0|2,0,0]=4 6381 B16R2.11988 CN(C)Cc1ccc2oc(=O)ccc2c1 269982a_100102631434_200010983872 [0,1,0,0,1,0|2,0,0]=4 6382 B16R2.11988 CN(C)Cc1ccc2oc(=O)ccc2c1 270004a_100102631434_100000036638 [0,1,0,0,1,0|2,0,0]=4 6383 B16R2.11988 Cc1ccc2cc(ccc2c1)OC(C)C 34a_100000074090_100000210206 [0,1,0,0,1,0|0,0,0]=2 6384 B16R2.11988 Cc1ccc2cc(ccc2c1)OC(C)C 7a_100000074090_100000210206 [0,1,0,0,1,0|0,0,0]=2 6385 B16R2.11988 Cc1ccc2cc(ccc2n1)CN(C)C 270004a_100102631434_100000709793 [0,1,0,0,1,0|2,0,0]=4 6386 B16R2.11988 Cc1ccc2cc(ccc2n1)NC(C)C 34a_100011216442_100000210206 [0,1,0,0,1,0|2,0,0]=4 6387 B16R2.11988 Cc1ccc2cc(ccc2n1)OC(C)C 34a_100000037634_100000210206 [0,1,0,0,1,0|1,0,0]=3 6388 B16R2.11988 Cc1ccc2cc(ccc2n1)OC(C)C 7a_100000037634_100000210206 [0,1,0,0,1,0|1,0,0]=3 6389 B16R2.11988 Cc1ccc2cc(ccc2n1)SC(C)C 62a_100000210206_100000686635 [0,1,0,0,1,0|1,1,0]=4 6390 B16R2.11988 Cc1ccc2cc(ccc2n1)SC(C)C 62a_100000686635_100000210206 [0,1,0,0,1,0|1,1,0]=4 6391 B16R2.11988 Cc1ccc2nc(ccc2c1)CN(C)C 2230a_100102631434_100009884411 [0,1,0,0,1,0|2,0,0]=4 6392 B16R2.11988 Cc1ccc2nc(ccc2c1)CN(C)C 269982a_100102631434_100009884411 [0,1,0,0,1,0|2,0,0]=4 6393 B16R2.11988 Cc1ccc2nc(ccc2c1)NC(C)C 27a_100138425928_100011865911 [0,1,0,0,1,0|2,0,0]=4 6394 B16R2.11988 Cc1ccc2nc(ccc2c1)SC(C)C 62a_100000210206_100011865911 [0,1,0,0,1,0|1,1,0]=4 6395 B16R2.11988 Cc1ccc2nc(ccc2c1)SC(C)C 62a_200000181977_100000210206 [0,1,0,0,1,0|1,1,0]=4 6396 B16R2.11988 Cc1cnc2cc(ccc2c1)SC(C)C 62a_100000210206_100010751441 [0,1,0,0,1,0|1,1,0]=4 6397 B16R2.22859 CC(=Cc1ccc2c(cccc2c1)N)C 271570a_100102525489_100010090037 [0,1,0,0,1,0|0,0,2]=4 6398 B16R2.22859 CC(=Cc1ccc2c(cccc2c1)O)C 271570a_100102525489_100010202202 [0,1,0,0,1,0|0,0,2]=4 6399 B16R2.22859 CC(C)Nc1ccc2c(cccc2c1)O 34a_100000035793_100000210206 [0,1,0,0,1,0|1,0,0]=3 6400 B16R2.22859 CC(C)Nc1ccc2c(cccc2c1)O 7a_100000035793_100000210206 [0,1,0,0,1,0|1,0,0]=3 6401 B16R2.22859 CC(C)Nc1ccc2c(ccnc2c1)Cl 27a_100138425928_100009996786 [0,1,0,0,1,0|2,0,0]=4 6402 B16R2.22859 CC(C)Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210206 [0,1,0,0,1,0|1,0,0]=3 6403 B16R2.22859 CC(C)Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210206 [0,1,0,0,1,0|1,0,0]=3 6404 B16R2.22859 CC(C)Oc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210206 [0,1,0,0,1,0|1,0,0]=3 6405 B16R2.22859 CC(C)Oc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210206 [0,1,0,0,1,0|1,0,0]=3 6406 B16R2.22859 CC(C)Oc1ccc2c(cccc2c1)N 34a_100000034668_100000210206 [0,1,0,0,1,0|0,0,0]=2 6407 B16R2.22859 CC(C)Oc1ccc2c(cccc2c1)N 7a_100000034668_100000210206 [0,1,0,0,1,0|0,0,0]=2 6408 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210206 [0,1,0,0,1,0|1,0,0]=3 6409 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210206 [0,1,0,0,1,0|1,0,0]=3 6410 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210206 [0,1,0,0,1,0|1,0,0]=3 6411 B16R2.22859 CC(C)Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210206 [0,1,0,0,1,0|1,0,0]=3 6412 B16R2.22859 CC(C)Oc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210206 [0,1,0,0,1,0|1,0,0]=3 6413 B16R2.22859 CC(C)Oc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210206 [0,1,0,0,1,0|1,0,0]=3 6414 B16R2.22859 CC(C)Oc1cnc2c(cccc2c1)F 34a_100012184956_100000210206 [0,1,0,0,1,0|1,0,0]=3 6415 B16R2.22859 CC(C)Oc1cnc2c(cccc2c1)F 7a_100012184956_100000210206 [0,1,0,0,1,0|1,0,0]=3 6416 B16R2.22859 CC(C)Sc1ccc2c(=O)ccoc2c1 62a_100000210206_100010062221 [0,1,0,0,1,0|1,1,0]=4 6417 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)N 62a_100000210206_100010090037 [0,1,0,0,1,0|0,1,0]=3 6418 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)N 62a_100010090037_100000210206 [0,1,0,0,1,0|0,1,0]=3 6419 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)O 62a_100000210206_100010202202 [0,1,0,0,1,0|0,1,0]=3 6420 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)Cl 62a_100000210206_100009996786 [0,1,0,0,1,0|1,1,0]=4 6421 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210206 [0,1,0,0,1,0|1,1,0]=4 6422 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)N 62a_200009816820_100000210206 [0,1,0,0,1,0|1,1,0]=4 6423 B16R2.22859 CC(C)Sc1ccc2c(ccnc2c1)O 62a_100000210206_100000756855 [0,1,0,0,1,0|1,1,0]=4 6424 B16R2.22859 CC(C)Sc1ccc2c(nccc2c1)N 62a_100000210206_100000732483 [0,1,0,0,1,0|1,1,0]=4 6425 B16R2.22859 CC(C)Sc1ccc2c(nccc2c1)N 62a_100000732483_100000210206 [0,1,0,0,1,0|1,1,0]=4 6426 B16R2.22859 CC(C)Sc1ccc2c(nccc2c1)O 62a_100000210206_100000760485 [0,1,0,0,1,0|1,1,0]=4 6427 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)Br 62a_100000210206_100010204298 [0,1,0,0,1,0|1,1,0]=4 6428 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)Br 62a_100010204298_100000210206 [0,1,0,0,1,0|1,1,0]=4 6429 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)Cl 62a_100000210206_100000759377 [0,1,0,0,1,0|1,1,0]=4 6430 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)F 62a_100000049890_100000210206 [0,1,0,0,1,0|1,1,0]=4 6431 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)F 62a_100000210206_100000049890 [0,1,0,0,1,0|1,1,0]=4 6432 B16R2.22859 CC(C)Sc1cnc2c(cccc2c1)N 62a_100000210206_100000702407 [0,1,0,0,1,0|1,1,0]=4 6433 B16R2.22859 Cc1cccc2c1ncc(c2)SC(C)C 62a_100000210206_100009829671 [0,1,0,0,1,0|1,1,0]=4 6434 B16R2.22859 Cc1ccnc2c1ccc(c2)OC(C)C 34a_200009854145_100000210206 [0,1,0,0,1,0|1,0,0]=3 6435 B16R2.22859 Cc1ccnc2c1ccc(c2)OC(C)C 7a_200009854145_100000210206 [0,1,0,0,1,0|1,0,0]=3 6436 B16R2.22859 Cc1ccnc2c1ccc(c2)SC(C)C 62a_100000210206_100010132309 [0,1,0,0,1,0|1,1,0]=4 6437 B16R2.22859 Cc1ccnc2c1ccc(c2)SC(C)C 62a_100010132309_100000210206 [0,1,0,0,1,0|1,1,0]=4 6438 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)N)C 271570a_100102525489_100010171453 [0,1,0,0,1,0|0,0,2]=4 6439 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)O)C 271570a_100102525489_100010089979 [0,1,0,0,1,0|0,0,2]=4 6440 B16R2.24933 CC(C)Nc1cc(c2ccccc2c1)Br 34a_100010089974_100000210206 [0,1,0,0,1,0|1,0,0]=3 6441 B16R2.24933 CC(C)Nc1cc(c2ccccc2c1)Br 7a_100010089974_100000210206 [0,1,0,0,1,0|1,0,0]=3 6442 B16R2.24933 CC(C)Nc1cc(c2cnccc2c1)F 27a_100138425928_100011068762 [0,1,0,0,1,0|2,0,0]=4 6443 B16R2.24933 CC(C)Nc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210206 [0,1,0,0,1,0|2,0,0]=4 6444 B16R2.24933 CC(C)Oc1cc(=O)n2ccccc2n1 34a_100000751361_100000210206 [0,1,0,0,1,0|2,0,0]=4 6445 B16R2.24933 CC(C)Oc1cc(c2ccccc2c1)Br 34a_100010001680_100000210206 [0,1,0,0,1,0|0,0,0]=2 6446 B16R2.24933 CC(C)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100000210206 [0,1,0,0,1,0|0,0,0]=2 6447 B16R2.24933 CC(C)Oc1cc(c2cnccc2c1)Br 34a_100011009069_100000210206 [0,1,0,0,1,0|1,0,0]=3 6448 B16R2.24933 CC(C)Oc1cc(c2cnccc2c1)Br 7a_100011009069_100000210206 [0,1,0,0,1,0|1,0,0]=3 6449 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210206 [0,1,0,0,1,0|1,0,0]=3 6450 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210206 [0,1,0,0,1,0|1,0,0]=3 6451 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)F 34a_100009888031_100000210206 [0,1,0,0,1,0|1,0,0]=3 6452 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)F 7a_100009888031_100000210206 [0,1,0,0,1,0|1,0,0]=3 6453 B16R2.24933 CC(C)Oc1cc(c2ncccc2c1)N 34a_100000083691_100000210206 [0,1,0,0,1,0|1,0,0]=3 6454 B16R2.24933 CC(C)Sc1cc(=O)c2ccccc2[nH]1 62a_100000210206_100000090176 [0,1,0,0,1,0|1,1,0]=4 6455 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)N 62a_100000210206_100010171453 [0,1,0,0,1,0|0,1,0]=3 6456 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)N 62a_100010171453_100000210206 [0,1,0,0,1,0|0,1,0]=3 6457 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)O 62a_100000210206_100010089979 [0,1,0,0,1,0|0,1,0]=3 6458 B16R2.24933 CC(C)Sc1cc(c2ccccc2n1)N 62a_100010197925_100000210206 [0,1,0,0,1,0|1,1,0]=4 6459 B16R2.24933 CC(C)Sc1cc(c2cccnc2c1)N 62a_100000210206_200010263263 [0,1,0,0,1,0|1,1,0]=4 6460 B16R2.24933 CC(C)Sc1cc(c2cccnc2c1)N 62a_200010263263_100000210206 [0,1,0,0,1,0|1,1,0]=4 6461 B16R2.24933 CC(C)Sc1cc(c2cnccc2c1)F 62a_100000210206_100011068762 [0,1,0,0,1,0|1,1,0]=4 6462 B16R2.24933 CC(C)Sc1cc(c2cnccc2c1)F 62a_100011068762_100000210206 [0,1,0,0,1,0|1,1,0]=4 6463 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)Cl 62a_100000210206_200010369337 [0,1,0,0,1,0|1,1,0]=4 6464 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)F 62a_100000210206_100010234705 [0,1,0,0,1,0|1,1,0]=4 6465 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)F 62a_100010234705_100000210206 [0,1,0,0,1,0|1,1,0]=4 6466 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)N 62a_100000210206_100009814519 [0,1,0,0,1,0|1,1,0]=4 6467 B16R2.24933 CC(C)Sc1cc(c2ncccc2c1)O 62a_100000210206_100010248853 [0,1,0,0,1,0|1,1,0]=4 6468 B16R2.24933 CC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000210206_200015811170 [0,1,0,0,1,0|1,1,0]=4 6469 B16R2.24933 CC(C)Sc1cc2ccccc2c(n1)N 62a_100000210206_100009957331 [0,1,0,0,1,0|1,1,0]=4 6470 B16R2.24933 CC(C)Sc1cc2ccccc2c(n1)N 62a_100009957331_100000210206 [0,1,0,0,1,0|1,1,0]=4 6471 B16R2.24933 Cc1cc(cc2c1nccc2)SC(C)C 62a_100000210206_100010130319 [0,1,0,0,1,0|1,1,0]=4 6472 B16R2.24933 Cc1cc(nc2c1cccc2)NC(C)C 27a_100138425928_100000184993 [0,1,0,0,1,0|2,0,0]=4 6473 B16R2.24933 Cc1cc(nc2c1cccc2)SC(C)C 62a_100000210206_100000184993 [0,1,0,0,1,0|1,1,0]=4 6474 B16R2.24933 Cc1cc(nc2c1cccc2)SC(C)C 62a_100012354972_100000210206 [0,1,0,0,1,0|1,1,0]=4 6475 B16R2.82802 CC(C)(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210625 [0,1,0,0,1,0|1,0,0]=3 6476 B16R2.82802 CC(C)(C)Nc1ccc2cccnc2c1 34a_100102887122_100000210625 [0,1,0,0,1,0|2,0,0]=4 6477 B16R2.82802 CC(C)(C)Nc1ccc2cnccc2c1 34a_100000039641_100000210625 [0,1,0,0,1,0|2,0,0]=4 6478 B16R2.82802 CC(C)(C)Nc1ccc2ncccc2c1 34a_100011198106_100000210625 [0,1,0,0,1,0|2,0,0]=4 6479 B16R2.82802 CC(C)(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210625 [0,1,0,0,1,0|0,0,0]=2 6480 B16R2.82802 CC(C)(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210625 [0,1,0,0,1,0|1,0,0]=3 6481 B16R2.82802 CC(C)(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210625 [0,1,0,0,1,0|1,0,0]=3 6482 B16R2.82802 CC(C)(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210625 [0,1,0,0,1,0|1,0,0]=3 6483 B16R2.82802 CC(C)(C)Oc1ccc2nccnc2c1 34a_100000694412_100000210625 [0,1,0,0,1,0|2,0,0]=4 6484 B16R2.82802 CC(C)(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210625 [0,1,0,0,1,0|1,0,0]=3 6485 B16R2.82802 CC(C)(C)Sc1cc2ccccc2cn1 62a_100000211941_100000047361 [0,1,0,0,1,0|1,1,0]=4 6486 B16R2.82802 CC(C)(C)Sc1cc2ccccc2cn1 62a_100009816522_100000211941 [0,1,0,0,1,0|1,1,0]=4 6487 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2c1 62a_100000211941_100000233703 [0,1,0,0,1,0|0,1,0]=3 6488 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2n1 62a_100000211941_100011291633 [0,1,0,0,1,0|1,1,0]=4 6489 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2n1 62a_100011291633_100000211941 [0,1,0,0,1,0|1,1,0]=4 6490 B16R2.82802 CC(C)(C)Sc1ccc2cccnc2c1 62a_100000211941_100009816655 [0,1,0,0,1,0|1,1,0]=4 6491 B16R2.82802 CC(C)(C)Sc1ccc2ccncc2c1 62a_100000211941_100000686496 [0,1,0,0,1,0|1,1,0]=4 6492 B16R2.82802 CC(C)(C)Sc1ccc2ccncc2c1 62a_100000686496_100000211941 [0,1,0,0,1,0|1,1,0]=4 6493 B16R2.82802 CC(C)(C)Sc1ccc2cnccc2c1 62a_100000211941_100009816743 [0,1,0,0,1,0|1,1,0]=4 6494 B16R2.82802 CC(C)(C)Sc1ccc2cnccc2c1 62a_100009816743_100000211941 [0,1,0,0,1,0|1,1,0]=4 6495 B16R2.82802 CC(C)(C)Sc1ccc2ncccc2c1 62a_100000211941_100011215947 [0,1,0,0,1,0|1,1,0]=4 6496 B16R2.82802 CC(C)(C)Sc1ccc2ncccc2c1 62a_100011215947_100000211941 [0,1,0,0,1,0|1,1,0]=4 6497 B16R2.82802 CC(C)(C)Sc1cnc2ccccc2c1 62a_100000211941_100000737414 [0,1,0,0,1,0|1,1,0]=4 6498 B16R2.82802 FC(F)(F)Oc1ccc2ccccc2c1 34a_100000185828_200103152311 [0,1,0,0,1,0|2,0,0]=4 6499 B16R2.82802 FC(F)(F)Oc1ccc2ccccc2c1 7a_100000185828_200000243211 [0,1,0,0,1,0|2,0,0]=4 6500 B16R2.83538 CC(=Cc1ccc2ccccc2c1C)C 271570a_100102525489_100010221197 [0,1,0,0,1,0|0,0,2]=4 6501 B16R2.83538 CC(=Cc1ccc2ccccc2c1F)C 271570a_100102525489_100009832041 [0,1,0,0,1,0|0,0,2]=4 6502 B16R2.83538 CC(=Cc1ccc2ccccc2c1N)C 271570a_100102525489_100009817101 [0,1,0,0,1,0|0,0,2]=4 6503 B16R2.83538 CC(=Cc1ccc2ccccc2c1O)C 271570a_100102525489_100009996032 [0,1,0,0,1,0|0,0,2]=4 6504 B16R2.83538 CC(=O)Cc1ccc2ccccc2c1Br 1458a_100000070787_100009813938 [0,1,0,0,1,0|1,0,1]=4 6505 B16R2.83538 CC(=O)Oc1ccc2ccccc2c1O 271570a_203496583355_200103289829 [0,1,0,0,1,0|1,0,1]=4 6506 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Br 34a_100000705303_100000210206 [0,1,0,0,1,0|1,0,0]=3 6507 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Cl 34a_100000075557_100000210206 [0,1,0,0,1,0|1,0,0]=3 6508 B16R2.83538 CC(C)Nc1ccc2ccccc2c1O 34a_100000007060_100000210206 [0,1,0,0,1,0|1,0,0]=3 6509 B16R2.83538 CC(C)Nc1ccc2cnccc2c1Cl 34a_100009851981_100000210206 [0,1,0,0,1,0|2,0,0]=4 6510 B16R2.83538 CC(C)Nc1ccc2ncccc2c1Br 34a_200009995563_100000210206 [0,1,0,0,1,0|2,0,0]=4 6511 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br 34a_100000183829_100000210206 [0,1,0,0,1,0|0,0,0]=2 6512 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br 7a_100000183829_100000210206 [0,1,0,0,1,0|0,0,0]=2 6513 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Cl 34a_100000029778_100000210206 [0,1,0,0,1,0|0,0,0]=2 6514 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Cl 7a_100000029778_100000210206 [0,1,0,0,1,0|0,0,0]=2 6515 B16R2.83538 CC(C)Oc1ccc2ccccc2c1I 34a_100000041551_100000210206 [0,1,0,0,1,0|0,0,0]=2 6516 B16R2.83538 CC(C)Oc1ccc2ccccc2c1I 7a_100000041551_100000210206 [0,1,0,0,1,0|0,0,0]=2 6517 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N 34a_100000007056_100000210206 [0,1,0,0,1,0|0,0,0]=2 6518 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000210206 [0,1,0,0,1,0|0,0,0]=2 6519 B16R2.83538 CC(C)Oc1ccc2cccnc2c1Br 34a_100010173343_100000210206 [0,1,0,0,1,0|1,0,0]=3 6520 B16R2.83538 CC(C)Oc1ccc2cccnc2c1Br 7a_100010173343_100000210206 [0,1,0,0,1,0|1,0,0]=3 6521 B16R2.83538 CC(C)Oc1ccc2ccncc2c1Br 34a_200010115057_100000210206 [0,1,0,0,1,0|1,0,0]=3 6522 B16R2.83538 CC(C)Oc1ccc2ccncc2c1Br 7a_200010115057_100000210206 [0,1,0,0,1,0|1,0,0]=3 6523 B16R2.83538 CC(C)Oc1ccc2cnccc2c1Cl 34a_100009824633_100000210206 [0,1,0,0,1,0|1,0,0]=3 6524 B16R2.83538 CC(C)Oc1ccc2cnccc2c1Cl 7a_100009824633_100000210206 [0,1,0,0,1,0|1,0,0]=3 6525 B16R2.83538 CC(C)Sc1c[nH]c2ccccc2c1=O 62a_100000210206_100012348052 [0,1,0,0,1,0|1,1,0]=4 6526 B16R2.83538 CC(C)Sc1ccc2ccccc2c1F 62a_100000210206_100009832041 [0,1,0,0,1,0|0,1,0]=3 6527 B16R2.83538 CC(C)Sc1ccc2ccccc2c1F 62a_100009832041_100000210206 [0,1,0,0,1,0|0,1,0]=3 6528 B16R2.83538 CC(C)Sc1ccc2ccccc2c1N 62a_100009817101_100000210206 [0,1,0,0,1,0|0,1,0]=3 6529 B16R2.83538 CC(C)Sc1ccc2ccccc2c1O 62a_100000210206_100009996032 [0,1,0,0,1,0|0,1,0]=3 6530 B16R2.83538 CC(C)Sc1ccc2cccnc2c1F 62a_100000210206_100010751467 [0,1,0,0,1,0|1,1,0]=4 6531 B16R2.83538 CC(C)Sc1ccc2cccnc2c1F 62a_100010751467_100000210206 [0,1,0,0,1,0|1,1,0]=4 6532 B16R2.83538 CC(C)Sc1ccc2cccnc2c1O 62a_100000210206_100009816563 [0,1,0,0,1,0|1,1,0]=4 6533 B16R2.83538 CC(C)Sc1ccc2cnccc2c1N 62a_100000210206_100010191621 [0,1,0,0,1,0|1,1,0]=4 6534 B16R2.83538 CC(C)Sc1ccc2cnccc2c1N 62a_100010191621_100000210206 [0,1,0,0,1,0|1,1,0]=4 6535 B16R2.83538 CC(C)Sc1ccc2ncccc2c1N 62a_200010235790_100000210206 [0,1,0,0,1,0|1,1,0]=4 6536 B16R2.83538 CC(C)Sc1cnc2ccccc2c1Cl 62a_100000210206_100012352519 [0,1,0,0,1,0|1,1,0]=4 6537 B16R2.83538 CC(C)Sc1cnc2ccccc2c1N 62a_100000210206_100009995562 [0,1,0,0,1,0|1,1,0]=4 6538 B16R2.83538 CC(C)Sc1cnc2ccccc2c1N 62a_100009995562_100000210206 [0,1,0,0,1,0|1,1,0]=4 6539 B16R2.83538 CC(C)Sc1coc2ccccc2c1=O 62a_100000210206_100009813851 [0,1,0,0,1,0|1,1,0]=4 6540 B16R2.83538 CC(C)Sc1ncc2ccccc2c1N 62a_100000210206_100000087573 [0,1,0,0,1,0|1,1,0]=4 6541 B16R2.83538 CC(C)Sc1ncc2ccccc2c1N 62a_100009995564_100000210206 [0,1,0,0,1,0|1,1,0]=4 6542 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 2230a_100102631434_100009813938 [0,1,0,0,1,0|1,0,0]=3 6543 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 269982a_100102631434_100009813938 [0,1,0,0,1,0|1,0,0]=3 6544 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 270004a_100102631434_100009813496 [0,1,0,0,1,0|1,0,0]=3 6545 B16R2.83538 CN(C)Cc1cnc2ccccc2c1Cl 270004a_100102631434_100000037458 [0,1,0,0,1,0|2,0,0]=4 6546 B16R2.83538 CN(C)Cc1coc2ccccc2c1=O 270004a_100102631434_100000195500 [0,1,0,0,1,0|2,0,0]=4 6547 B16R2.83538 Cc1c(ccc2c1cccc2)OC(C)C 34a_100009830054_100000210206 [0,1,0,0,1,0|0,0,0]=2 6548 B16R2.83538 Cc1c(ccc2c1cccc2)OC(C)C 7a_100009830054_100000210206 [0,1,0,0,1,0|0,0,0]=2 6549 B16R2.83538 Cc1c(ccc2c1cccc2)SC(C)C 62a_100000210206_100010221197 [0,1,0,0,1,0|0,1,0]=3 6550 B16R2.83538 Cc1c(ccc2c1cccc2)SC(C)C 62a_100010221197_100000210206 [0,1,0,0,1,0|0,1,0]=3 6551 B16R2.83538 Cc1c(ccc2c1cccn2)SC(C)C 62a_100000210206_200010137439 [0,1,0,0,1,0|1,1,0]=4 6552 B16R2.83538 Cc1c(ccc2c1cccn2)SC(C)C 62a_200010137439_100000210206 [0,1,0,0,1,0|1,1,0]=4 6553 B16R2.83538 Cc1c(ccc2c1nccc2)SC(C)C 62a_100000210206_100010214467 [0,1,0,0,1,0|1,1,0]=4 6554 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)C)C 271570a_100102525489_100010089936 [0,1,0,0,1,0|0,0,2]=4 6555 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)N)C 271570a_100102525489_100010090012 [0,1,0,0,1,0|0,0,2]=4 6556 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)O)C 271570a_100102525489_100010089991 [0,1,0,0,1,0|0,0,2]=4 6557 B16R2.126902 CC(C)Nc1ccc2cccc(c2c1)O 34a_100132313934_100000210206 [0,1,0,0,1,0|1,0,0]=3 6558 B16R2.126902 CC(C)Nc1ccc2cccc(c2n1)O 27a_100138425928_100010153751 [0,1,0,0,1,0|2,0,0]=4 6559 B16R2.126902 CC(C)Nc1ccc2nccc(c2c1)Br 34a_100010074812_100000210206 [0,1,0,0,1,0|2,0,0]=4 6560 B16R2.126902 CC(C)Nc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210206 [0,1,0,0,1,0|2,0,0]=4 6561 B16R2.126902 CC(C)Nc1ccc2occc(=O)c2c1 34a_100000088200_100000210206 [0,1,0,0,1,0|2,0,0]=4 6562 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)Br 34a_100010169565_100000210206 [0,1,0,0,1,0|0,0,0]=2 6563 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100000210206 [0,1,0,0,1,0|0,0,0]=2 6564 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)F 34a_100000091619_100000210206 [0,1,0,0,1,0|0,0,0]=2 6565 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)F 7a_100000091619_100000210206 [0,1,0,0,1,0|0,0,0]=2 6566 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)N 34a_100000034012_100000210206 [0,1,0,0,1,0|0,0,0]=2 6567 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)N 7a_100000034012_100000210206 [0,1,0,0,1,0|0,0,0]=2 6568 B16R2.126902 CC(C)Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210206 [0,1,0,0,1,0|1,0,0]=3 6569 B16R2.126902 CC(C)Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210206 [0,1,0,0,1,0|1,0,0]=3 6570 B16R2.126902 CC(C)Oc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210206 [0,1,0,0,1,0|2,0,0]=4 6571 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Br 34a_100010204251_100000210206 [0,1,0,0,1,0|1,0,0]=3 6572 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Br 7a_100010204251_100000210206 [0,1,0,0,1,0|1,0,0]=3 6573 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210206 [0,1,0,0,1,0|1,0,0]=3 6574 B16R2.126902 CC(C)Oc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210206 [0,1,0,0,1,0|1,0,0]=3 6575 B16R2.126902 CC(C)Sc1ccc2[nH]ccc(=O)c2c1 62a_100000210206_100000746092 [0,1,0,0,1,0|1,1,0]=4 6576 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)N 62a_100000210206_100010090012 [0,1,0,0,1,0|0,1,0]=3 6577 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)N 62a_100010090012_100000210206 [0,1,0,0,1,0|0,1,0]=3 6578 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)O 62a_100000210206_100010089991 [0,1,0,0,1,0|0,1,0]=3 6579 B16R2.126902 CC(C)Sc1ccc2cccc(c2n1)F 62a_100000210206_100012017632 [0,1,0,0,1,0|1,1,0]=4 6580 B16R2.126902 CC(C)Sc1ccc2cccc(c2n1)O 62a_100000210206_100000013812 [0,1,0,0,1,0|1,1,0]=4 6581 B16R2.126902 CC(C)Sc1ccc2ccnc(c2c1)N 62a_100000210206_100012352255 [0,1,0,0,1,0|1,1,0]=4 6582 B16R2.126902 CC(C)Sc1ccc2ccnc(c2c1)N 62a_100012352255_100000210206 [0,1,0,0,1,0|1,1,0]=4 6583 B16R2.126902 CC(C)Sc1ccc2ccnc(c2c1)O 62a_100000210206_100000010956 [0,1,0,0,1,0|1,1,0]=4 6584 B16R2.126902 CC(C)Sc1ccc2cncc(c2c1)O 62a_100000210206_100010136424 [0,1,0,0,1,0|1,1,0]=4 6585 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)Cl 62a_100000210206_100011310491 [0,1,0,0,1,0|1,1,0]=4 6586 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210206 [0,1,0,0,1,0|1,1,0]=4 6587 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)N 62a_100000210206_100011620571 [0,1,0,0,1,0|1,1,0]=4 6588 B16R2.126902 CC(C)Sc1ccc2nccc(c2c1)N 62a_100011620571_100000210206 [0,1,0,0,1,0|1,1,0]=4 6589 B16R2.126902 CC(C)Sc1ccc2occc(=O)c2c1 62a_100000210206_100009813387 [0,1,0,0,1,0|1,1,0]=4 6590 B16R2.126902 CC(C)Sc1cnc2cccc(c2c1)N 62a_100000210206_100010264086 [0,1,0,0,1,0|1,1,0]=4 6591 B16R2.126902 CC(C)Sc1cnc2cccc(c2c1)N 62a_100010264086_100000210206 [0,1,0,0,1,0|1,1,0]=4 6592 B16R2.126902 CC(C)Sc1cnc2cccc(c2c1)O 62a_100000210206_200010153752 [0,1,0,0,1,0|1,1,0]=4 6593 B16R2.126902 CN(C)Cc1ccc2cccc(c2n1)Cl 270004a_100102631434_200000068262 [0,1,0,0,1,0|2,0,0]=4 6594 B16R2.126902 CN(C)Cc1ccc2cccc(c2n1)F 270004a_100102631434_100000068176 [0,1,0,0,1,0|2,0,0]=4 6595 B16R2.126902 Cc1cccc2c1cc(cc2)OC(C)C 34a_200000091600_100000210206 [0,1,0,0,1,0|0,0,0]=2 6596 B16R2.126902 Cc1cccc2c1cc(cc2)OC(C)C 7a_200000091600_100000210206 [0,1,0,0,1,0|0,0,0]=2 6597 B16R2.126902 Cc1cccc2c1cc(cc2)SC(C)C 62a_100000210206_100010089936 [0,1,0,0,1,0|0,1,0]=3 6598 B16R2.126902 Cc1cccc2c1nc(cc2)NC(C)C 27a_100138425928_100012002297 [0,1,0,0,1,0|2,0,0]=4 6599 B16R2.126902 Cc1cccc2c1nc(cc2)SC(C)C 62a_100000210206_100012002297 [0,1,0,0,1,0|1,1,0]=4 6600 B16R2.126902 Cc1ccnc2c1cc(cc2)SC(C)C 62a_100000210206_100009817033 [0,1,0,0,1,0|1,1,0]=4 6601 B16R2.126902 Cc1ccnc2c1cc(cc2)SC(C)C 62a_100009817033_100000210206 [0,1,0,0,1,0|1,1,0]=4 6602 B16R2.126902 Cc1nccc2c1cc(cc2)SC(C)C 62a_100000210206_200010739692 [0,1,0,0,1,0|1,1,0]=4 6603 B16R2.126902 Cc1nccc2c1cc(cc2)SC(C)C 62a_200010739692_100000210206 [0,1,0,0,1,0|1,1,0]=4 6604 B16R2.1357 CCC(C)CNc1ccc2ccoc2c1 34a_100000102395_100000748023 [0,1,0,0,1,0|2,0,0]=4 6605 B16R2.1357 CCC(C)CNc1ccc2occc2c1 34a_106430523501_100000748023 [0,1,0,0,1,0|2,0,0]=4 6606 B16R2.1357 CCC(C)CNc1ccc2sccc2c1 34a_100000681076_100000748023 [0,1,0,0,1,0|2,0,0]=4 6607 B16R2.1357 CCC(C)COc1ccc2[nH]ccc2c1 34a_100000756620_100000748023 [0,1,0,0,1,0|1,0,0]=3 6608 B16R2.1357 CCC(C)COc1ccc2cc[nH]c2c1 34a_100000036713_100000748023 [0,1,0,0,1,0|1,0,0]=3 6609 B16R2.1357 CCC(C)COc1ccc2ccoc2c1 34a_100000089557_100000748023 [0,1,0,0,1,0|1,0,0]=3 6610 B16R2.1357 CCC(C)COc1ccc2ccoc2c1 7a_100000089557_100000748023 [0,1,0,0,1,0|1,0,0]=3 6611 B16R2.1357 CCC(C)COc1ccc2cnoc2c1 34a_100000098417_100000748023 [0,1,0,0,1,0|2,0,0]=4 6612 B16R2.1357 CCC(C)COc1ccc2cnoc2c1 7a_100000098417_100000748023 [0,1,0,0,1,0|2,0,0]=4 6613 B16R2.1357 CCC(C)COc1ccc2ncsc2c1 34a_100011995850_100000748023 [0,1,0,0,1,0|2,0,0]=4 6614 B16R2.1357 CCC(C)COc1ccc2ncsc2c1 7a_100011995850_100000748023 [0,1,0,0,1,0|2,0,0]=4 6615 B16R2.1357 CCC(C)COc1ccc2occc2c1 34a_100000070125_100000748023 [0,1,0,0,1,0|1,0,0]=3 6616 B16R2.1357 CCC(C)COc1ccc2occc2c1 7a_100000070125_100000748023 [0,1,0,0,1,0|1,0,0]=3 6617 B16R2.1357 CCC(C)COc1ccc2sccc2c1 34a_100012180905_100000748023 [0,1,0,0,1,0|1,0,0]=3 6618 B16R2.1357 CCC(C)COc1ccc2sccc2c1 7a_100012180905_100000748023 [0,1,0,0,1,0|1,0,0]=3 6619 B16R2.1357 CCC(C)COc1ccc2scnc2c1 34a_200009850626_100000748023 [0,1,0,0,1,0|2,0,0]=4 6620 B16R2.1357 CCC(C)COc1ccc2scnc2c1 7a_200009850626_100000748023 [0,1,0,0,1,0|2,0,0]=4 6621 B16R2.1357 CCC(C)COc1ccn2ccnc2c1 34a_100009863278_100000748023 [0,1,0,0,1,0|2,0,0]=4 6622 B16R2.1357 CCC(C)COc1cnc2[nH]ccc2c1 34a_100000087691_100000748023 [0,1,0,0,1,0|2,0,0]=4 6623 B16R2.1357 CCC(C)CSc1ccc2[nH]ccc2c1 62a_100000748023_100000035808 [0,1,0,0,1,0|1,1,0]=4 6624 B16R2.1357 CCC(C)CSc1ccc2c(c1)C=CC2 62a_100000748023_100009814306 [0,1,0,0,1,0|0,1,1]=4 6625 B16R2.1357 CCC(C)CSc1ccc2c(c1)C=CC2 62a_100009814306_100000748023 [0,1,0,0,1,0|0,1,1]=4 6626 B16R2.1357 CCC(C)CSc1ccc2c(c1)CC=C2 62a_100000748023_200009818231 [0,1,0,0,1,0|0,1,1]=4 6627 B16R2.1357 CCC(C)CSc1ccc2c(c1)CC=C2 62a_200009818231_100000748023 [0,1,0,0,1,0|0,1,1]=4 6628 B16R2.1357 CCC(C)CSc1ccc2cc[nH]c2c1 62a_100000748023_100000743809 [0,1,0,0,1,0|1,1,0]=4 6629 B16R2.1357 CCC(C)CSc1ccc2ccoc2c1 62a_100000748023_100000759542 [0,1,0,0,1,0|1,1,0]=4 6630 B16R2.1357 CCC(C)CSc1ccc2occc2c1 62a_100000748023_100000691453 [0,1,0,0,1,0|1,1,0]=4 6631 B16R2.1357 CCC(O)COc1ccc2[nH]ccc2c1 34a_100000756620_100011218378 [0,1,0,0,1,0|2,0,0]=4 6632 B16R2.1357 CCC(O)COc1ccc2cc[nH]c2c1 34a_100000036713_100011218378 [0,1,0,0,1,0|2,0,0]=4 6633 B16R2.1357 CCC(O)COc1ccc2ccoc2c1 34a_100000089557_100011218378 [0,1,0,0,1,0|2,0,0]=4 6634 B16R2.1357 CCC(O)COc1ccc2ccoc2c1 7a_100000089557_100011218378 [0,1,0,0,1,0|2,0,0]=4 6635 B16R2.1357 CCC(O)COc1ccc2occc2c1 34a_100000070125_100011218378 [0,1,0,0,1,0|2,0,0]=4 6636 B16R2.1357 CCC(O)COc1ccc2occc2c1 7a_100000070125_100011218378 [0,1,0,0,1,0|2,0,0]=4 6637 B16R2.1357 CCC(O)COc1ccc2sccc2c1 34a_100012180905_100011218378 [0,1,0,0,1,0|2,0,0]=4 6638 B16R2.1357 CCC(O)COc1ccc2sccc2c1 7a_100012180905_100011218378 [0,1,0,0,1,0|2,0,0]=4 6639 B16R2.1357 CC[C@H](C)CNc1ccc2ccoc2c1 34a_100000102395_100009816398 [0,1,0,0,1,0|2,0,0]=4 6640 B16R2.1357 CC[C@H](C)CNc1ccc2occc2c1 34a_106430523501_100009816398 [0,1,0,0,1,0|2,0,0]=4 6641 B16R2.1357 CC[C@H](C)CNc1ccc2sccc2c1 34a_100000681076_100009816398 [0,1,0,0,1,0|2,0,0]=4 6642 B16R2.1357 CC[C@H](C)COc1ccc2[nH]ccc2c1 34a_100000756620_100009816398 [0,1,0,0,1,0|1,0,0]=3 6643 B16R2.1357 CC[C@H](C)COc1ccc2cc[nH]c2c1 34a_100000036713_100009816398 [0,1,0,0,1,0|1,0,0]=3 6644 B16R2.1357 CC[C@H](C)COc1ccc2ccoc2c1 34a_100000089557_100009816398 [0,1,0,0,1,0|1,0,0]=3 6645 B16R2.1357 CC[C@H](C)COc1ccc2ccoc2c1 7a_100000089557_100009816398 [0,1,0,0,1,0|1,0,0]=3 6646 B16R2.1357 CC[C@H](C)COc1ccc2cnoc2c1 34a_100000098417_100009816398 [0,1,0,0,1,0|2,0,0]=4 6647 B16R2.1357 CC[C@H](C)COc1ccc2cnoc2c1 7a_100000098417_100009816398 [0,1,0,0,1,0|2,0,0]=4 6648 B16R2.1357 CC[C@H](C)COc1ccc2ncsc2c1 34a_100011995850_100009816398 [0,1,0,0,1,0|2,0,0]=4 6649 B16R2.1357 CC[C@H](C)COc1ccc2ncsc2c1 7a_100011995850_100009816398 [0,1,0,0,1,0|2,0,0]=4 6650 B16R2.1357 CC[C@H](C)COc1ccc2occc2c1 34a_100000070125_100009816398 [0,1,0,0,1,0|1,0,0]=3 6651 B16R2.1357 CC[C@H](C)COc1ccc2occc2c1 7a_100000070125_100009816398 [0,1,0,0,1,0|1,0,0]=3 6652 B16R2.1357 CC[C@H](C)COc1ccc2sccc2c1 34a_100012180905_100009816398 [0,1,0,0,1,0|1,0,0]=3 6653 B16R2.1357 CC[C@H](C)COc1ccc2sccc2c1 7a_100012180905_100009816398 [0,1,0,0,1,0|1,0,0]=3 6654 B16R2.1357 CC[C@H](C)COc1ccc2scnc2c1 34a_200009850626_100009816398 [0,1,0,0,1,0|2,0,0]=4 6655 B16R2.1357 CC[C@H](C)COc1ccc2scnc2c1 7a_200009850626_100009816398 [0,1,0,0,1,0|2,0,0]=4 6656 B16R2.1357 CC[C@H](C)COc1ccn2ccnc2c1 34a_100009863278_100009816398 [0,1,0,0,1,0|2,0,0]=4 6657 B16R2.1357 CC[C@H](C)COc1cnc2[nH]ccc2c1 34a_100000087691_100009816398 [0,1,0,0,1,0|2,0,0]=4 6658 B16R2.1357 CC[C@H](C)CSc1ccc2[nH]ccc2c1 62a_100009816398_100000035808 [0,1,0,0,1,0|1,1,0]=4 6659 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)C=CC2 62a_100009814306_100009816398 [0,1,0,0,1,0|0,1,1]=4 6660 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)C=CC2 62a_100009816398_100009814306 [0,1,0,0,1,0|0,1,1]=4 6661 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)CC=C2 62a_100009816398_200009818231 [0,1,0,0,1,0|0,1,1]=4 6662 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)CC=C2 62a_200009818231_100009816398 [0,1,0,0,1,0|0,1,1]=4 6663 B16R2.1357 CC[C@H](C)CSc1ccc2cc[nH]c2c1 62a_100009816398_100000743809 [0,1,0,0,1,0|1,1,0]=4 6664 B16R2.1357 CC[C@H](C)CSc1ccc2ccoc2c1 62a_100009816398_100000759542 [0,1,0,0,1,0|1,1,0]=4 6665 B16R2.1357 CC[C@H](C)CSc1ccc2occc2c1 62a_100009816398_100000691453 [0,1,0,0,1,0|1,1,0]=4 6666 B16R2.1357 C[C@@H](CO)CNc1ccc2ccoc2c1 34a_100000102395_100000059175 [0,1,0,0,1,0|2,0,0]=4 6667 B16R2.1357 C[C@@H](CO)CNc1ccc2occc2c1 34a_106430523501_100000059175 [0,1,0,0,1,0|2,0,0]=4 6668 B16R2.1357 C[C@@H](CO)CNc1ccc2sccc2c1 34a_100000681076_100000059175 [0,1,0,0,1,0|2,0,0]=4 6669 B16R2.1357 C[C@@H](CO)COc1ccc2[nH]ccc2c1 34a_100000756620_100000059175 [0,1,0,0,1,0|1,0,0]=3 6670 B16R2.1357 C[C@@H](CO)COc1ccc2cc[nH]c2c1 34a_100000036713_100000059175 [0,1,0,0,1,0|1,0,0]=3 6671 B16R2.1357 C[C@@H](CO)COc1ccc2ccoc2c1 34a_100000089557_100000059175 [0,1,0,0,1,0|1,0,0]=3 6672 B16R2.1357 C[C@@H](CO)COc1ccc2ccoc2c1 7a_100000089557_100000059175 [0,1,0,0,1,0|1,0,0]=3 6673 B16R2.1357 C[C@@H](CO)COc1ccc2cnoc2c1 34a_100000098417_100000059175 [0,1,0,0,1,0|2,0,0]=4 6674 B16R2.1357 C[C@@H](CO)COc1ccc2cnoc2c1 7a_100000098417_100000059175 [0,1,0,0,1,0|2,0,0]=4 6675 B16R2.1357 C[C@@H](CO)COc1ccc2ncsc2c1 34a_100011995850_100000059175 [0,1,0,0,1,0|2,0,0]=4 6676 B16R2.1357 C[C@@H](CO)COc1ccc2ncsc2c1 7a_100011995850_100000059175 [0,1,0,0,1,0|2,0,0]=4 6677 B16R2.1357 C[C@@H](CO)COc1ccc2occc2c1 34a_100000070125_100000059175 [0,1,0,0,1,0|1,0,0]=3 6678 B16R2.1357 C[C@@H](CO)COc1ccc2occc2c1 7a_100000070125_100000059175 [0,1,0,0,1,0|1,0,0]=3 6679 B16R2.1357 C[C@@H](CO)COc1ccc2sccc2c1 34a_100012180905_100000059175 [0,1,0,0,1,0|1,0,0]=3 6680 B16R2.1357 C[C@@H](CO)COc1ccc2sccc2c1 7a_100012180905_100000059175 [0,1,0,0,1,0|1,0,0]=3 6681 B16R2.1357 C[C@@H](CO)COc1ccc2scnc2c1 34a_200009850626_100000059175 [0,1,0,0,1,0|2,0,0]=4 6682 B16R2.1357 C[C@@H](CO)COc1ccc2scnc2c1 7a_200009850626_100000059175 [0,1,0,0,1,0|2,0,0]=4 6683 B16R2.1357 C[C@@H](CO)COc1ccn2ccnc2c1 34a_100009863278_100000059175 [0,1,0,0,1,0|2,0,0]=4 6684 B16R2.1357 C[C@@H](CO)COc1cnc2[nH]ccc2c1 34a_100000087691_100000059175 [0,1,0,0,1,0|2,0,0]=4 6685 B16R2.1357 C[C@@H](CO)CSc1ccc2[nH]ccc2c1 62a_100000059175_100000035808 [0,1,0,0,1,0|1,1,0]=4 6686 B16R2.1357 C[C@@H](CO)CSc1ccc2c(c1)C=CC2 62a_100000059175_100009814306 [0,1,0,0,1,0|0,1,1]=4 6687 B16R2.1357 C[C@@H](CO)CSc1ccc2c(c1)C=CC2 62a_100009814306_100000059175 [0,1,0,0,1,0|0,1,1]=4 6688 B16R2.1357 C[C@@H](CO)CSc1ccc2c(c1)CC=C2 62a_100000059175_200009818231 [0,1,0,0,1,0|0,1,1]=4 6689 B16R2.1357 C[C@@H](CO)CSc1ccc2c(c1)CC=C2 62a_200009818231_100000059175 [0,1,0,0,1,0|0,1,1]=4 6690 B16R2.1357 C[C@@H](CO)CSc1ccc2cc[nH]c2c1 62a_100000059175_100000743809 [0,1,0,0,1,0|1,1,0]=4 6691 B16R2.1357 C[C@@H](CO)CSc1ccc2ccoc2c1 62a_100000059175_100000759542 [0,1,0,0,1,0|1,1,0]=4 6692 B16R2.1357 C[C@@H](CO)CSc1ccc2ccsc2c1 62a_100000059175_100009888917 [0,1,0,0,1,0|1,1,0]=4 6693 B16R2.1357 C[C@@H](CO)CSc1ccc2cscc2c1 62a_100000059175_200010760811 [0,1,0,0,1,0|1,1,0]=4 6694 B16R2.1357 C[C@@H](CO)CSc1ccc2occc2c1 62a_100000059175_100000691453 [0,1,0,0,1,0|1,1,0]=4 6695 B16R2.1357 C[C@@H](CO)CSc1ccc2sccc2c1 62a_100000059175_100009814439 [0,1,0,0,1,0|1,1,0]=4 6696 B16R2.1357 OCC(O)COc1ccc2[nH]ccc2c1 34a_100000756620_100011219619 [0,1,0,0,1,0|2,0,0]=4 6697 B16R2.1357 OCC(O)COc1ccc2cc[nH]c2c1 34a_100000036713_100011219619 [0,1,0,0,1,0|2,0,0]=4 6698 B16R2.1357 OCC(O)COc1ccc2ccoc2c1 34a_100000089557_100011219619 [0,1,0,0,1,0|2,0,0]=4 6699 B16R2.1357 OCC(O)COc1ccc2ccoc2c1 7a_100000089557_100011219619 [0,1,0,0,1,0|2,0,0]=4 6700 B16R2.1357 OCC(O)COc1ccc2occc2c1 34a_100000070125_100011219619 [0,1,0,0,1,0|2,0,0]=4 6701 B16R2.1357 OCC(O)COc1ccc2occc2c1 7a_100000070125_100011219619 [0,1,0,0,1,0|2,0,0]=4 6702 B16R2.1357 OCC(O)COc1ccc2sccc2c1 34a_100012180905_100011219619 [0,1,0,0,1,0|2,0,0]=4 6703 B16R2.1357 OCC(O)COc1ccc2sccc2c1 7a_100012180905_100011219619 [0,1,0,0,1,0|2,0,0]=4 6704 B16R2.1357 OC[C@H](O)COc1ccc2[nH]ccc2c1 34a_100000756620_100009815848 [0,1,0,0,1,0|2,0,0]=4 6705 B16R2.1357 OC[C@H](O)COc1ccc2cc[nH]c2c1 34a_100000036713_100009815848 [0,1,0,0,1,0|2,0,0]=4 6706 B16R2.1357 OC[C@H](O)COc1ccc2ccoc2c1 34a_100000089557_100009815848 [0,1,0,0,1,0|2,0,0]=4 6707 B16R2.1357 OC[C@H](O)COc1ccc2ccoc2c1 7a_100000089557_100009815848 [0,1,0,0,1,0|2,0,0]=4 6708 B16R2.1357 OC[C@H](O)COc1ccc2occc2c1 34a_100000070125_100009815848 [0,1,0,0,1,0|2,0,0]=4 6709 B16R2.1357 OC[C@H](O)COc1ccc2occc2c1 7a_100000070125_100009815848 [0,1,0,0,1,0|2,0,0]=4 6710 B16R2.1357 OC[C@H](O)COc1ccc2sccc2c1 34a_100012180905_100009815848 [0,1,0,0,1,0|2,0,0]=4 6711 B16R2.1357 OC[C@H](O)COc1ccc2sccc2c1 7a_100012180905_100009815848 [0,1,0,0,1,0|2,0,0]=4 6712 B16R2.1357 O[C@@H](CF)COc1ccc2[nH]ccc2c1 34a_100000756620_100015614560 [0,1,0,0,1,0|2,0,0]=4 6713 B16R2.1357 O[C@@H](CF)COc1ccc2cc[nH]c2c1 34a_100000036713_100015614560 [0,1,0,0,1,0|2,0,0]=4 6714 B16R2.1357 O[C@@H](CF)COc1ccc2ccoc2c1 34a_100000089557_100015614560 [0,1,0,0,1,0|2,0,0]=4 6715 B16R2.1357 O[C@@H](CF)COc1ccc2ccoc2c1 7a_100000089557_100015614560 [0,1,0,0,1,0|2,0,0]=4 6716 B16R2.1357 O[C@@H](CF)COc1ccc2occc2c1 34a_100000070125_100015614560 [0,1,0,0,1,0|2,0,0]=4 6717 B16R2.1357 O[C@@H](CF)COc1ccc2occc2c1 7a_100000070125_100015614560 [0,1,0,0,1,0|2,0,0]=4 6718 B16R2.1357 O[C@@H](CF)COc1ccc2sccc2c1 34a_100012180905_100015614560 [0,1,0,0,1,0|2,0,0]=4 6719 B16R2.1357 O[C@@H](CF)COc1ccc2sccc2c1 7a_100012180905_100015614560 [0,1,0,0,1,0|2,0,0]=4 6720 B16R2.3892 CC(C)COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_100000210760 [0,1,0,0,1,0|2,0,0]=4 6721 B16R2.3892 CC(C)COc1ccc2c(c1)CC(=O)O2 34a_100000035078_100000210624 [0,1,0,0,1,0|1,0,1]=4 6722 B16R2.3892 CC(C)COc1ccc2c(c1)CC(=O)O2 7a_100000035078_100000210760 [0,1,0,0,1,0|1,0,1]=4 6723 B16R2.3892 CC(C)COc1ccc2nc(sc2c1)Br 7a_100010063415_100000210760 [0,1,0,0,1,0|2,0,0]=4 6724 B16R2.3892 CC(C)COc1ccc2nc(sc2c1)N 7a_100000012012_100000210760 [0,1,0,0,1,0|2,0,0]=4 6725 B16R2.3892 CC(C)COc1ccc2nn(cc2c1)C 34a_100000106843_100000210624 [0,1,0,0,1,0|2,0,0]=4 6726 B16R2.3892 CC(C)COc1ccc2oc(nc2c1)Cl 34a_100010673232_100000210624 [0,1,0,0,1,0|2,0,0]=4 6727 B16R2.3892 CC(C)COc1ccc2oc(nc2c1)Cl 7a_100010673232_100000210760 [0,1,0,0,1,0|2,0,0]=4 6728 B16R2.3892 CC(C)COc1ccc2sc(nc2c1)N 7a_100000066538_100000210760 [0,1,0,0,1,0|2,0,0]=4 6729 B16R2.3892 Cc1cc2cc(ccc2[nH]1)OCC(C)C 34a_100000073708_100000210624 [0,1,0,0,1,0|1,0,0]=3 6730 B16R2.3892 Cc1cc2cc(ccc2[nH]1)OCC(C)C 7a_100000073708_100000210760 [0,1,0,0,1,0|1,0,0]=3 6731 B16R2.3892 Cc1cc2cc(ccc2[nH]1)OCC(C)O 34a_100000073708_100011218427 [0,1,0,0,1,0|2,0,0]=4 6732 B16R2.3892 Cc1cc2cc(ccc2[nH]1)OCC(C)O 7a_100000073708_100011218427 [0,1,0,0,1,0|2,0,0]=4 6733 B16R2.3892 Cc1cc2cc(ccc2[nH]1)OC[C@@H](C)O 34a_100000073708_100009817552 [0,1,0,0,1,0|2,0,0]=4 6734 B16R2.3892 Cc1cc2cc(ccc2[nH]1)OC[C@@H](C)O 7a_100000073708_100009817552 [0,1,0,0,1,0|2,0,0]=4 6735 B16R2.3892 Cc1cc2cc(ccc2[nH]1)SCC(C)C 62a_100000210624_100011214893 [0,1,0,0,1,0|1,1,0]=4 6736 B16R2.3892 Cc1cc2cc(ccc2s1)SCC(C)C 62a_100000210624_100000695401 [0,1,0,0,1,0|1,1,0]=4 6737 B16R2.3892 Cc1cc2cc(ccc2s1)SCC(C)C 62a_100000695401_100000210760 [0,1,0,0,1,0|1,1,0]=4 6738 B16R2.3892 Cc1cc2ccc(cc2[nH]1)OCC(C)C 34a_100000058111_100000210624 [0,1,0,0,1,0|1,0,0]=3 6739 B16R2.3892 Cc1cc2ccc(cc2[nH]1)OCC(C)O 34a_100000058111_100011218427 [0,1,0,0,1,0|2,0,0]=4 6740 B16R2.3892 Cc1cc2ccc(cc2[nH]1)OC[C@@H](C)O 34a_100000058111_100009817552 [0,1,0,0,1,0|2,0,0]=4 6741 B16R2.3892 Cc1cc2ccc(cc2[nH]1)SCC(C)C 62a_100000210624_100010196937 [0,1,0,0,1,0|1,1,0]=4 6742 B16R2.3892 Cc1cc2ccc(cc2o1)OCC(C)C 34a_100000095638_100000210624 [0,1,0,0,1,0|1,0,0]=3 6743 B16R2.3892 Cc1cc2ccc(cc2o1)OCC(C)C 7a_100000095638_100000210760 [0,1,0,0,1,0|1,0,0]=3 6744 B16R2.3892 Cc1cc2ccc(cc2o1)OCC(C)O 34a_100000095638_100011218427 [0,1,0,0,1,0|2,0,0]=4 6745 B16R2.3892 Cc1cc2ccc(cc2o1)OCC(C)O 7a_100000095638_100011218427 [0,1,0,0,1,0|2,0,0]=4 6746 B16R2.3892 Cc1cc2ccc(cc2o1)OC[C@@H](C)O 34a_100000095638_100009817552 [0,1,0,0,1,0|2,0,0]=4 6747 B16R2.3892 Cc1cc2ccc(cc2o1)OC[C@@H](C)O 7a_100000095638_100009817552 [0,1,0,0,1,0|2,0,0]=4 6748 B16R2.3892 Cc1cn2ccc(cc2n1)OCC(C)C 34a_106256048495_100000210624 [0,1,0,0,1,0|2,0,0]=4 6749 B16R2.3892 Cc1nc2cc(ccc2o1)OCC(C)C 34a_100000102623_100000210624 [0,1,0,0,1,0|2,0,0]=4 6750 B16R2.3892 Cc1nc2cc(ccc2o1)OCC(C)C 7a_100000102623_100000210760 [0,1,0,0,1,0|2,0,0]=4 6751 B16R2.3892 Cc1nc2cc(ccc2s1)OCC(C)C 34a_100000031546_100000210624 [0,1,0,0,1,0|2,0,0]=4 6752 B16R2.3892 Cc1nc2cc(ccc2s1)OCC(C)C 7a_100000031546_100000210760 [0,1,0,0,1,0|2,0,0]=4 6753 B16R2.3892 Cc1nc2ccc(cc2o1)OCC(C)C 34a_100000116946_100000210624 [0,1,0,0,1,0|2,0,0]=4 6754 B16R2.3892 Cc1nc2ccc(cc2o1)OCC(C)C 7a_100000116946_100000210760 [0,1,0,0,1,0|2,0,0]=4 6755 B16R2.3892 Cc1nc2ccc(cc2s1)OCC(C)C 34a_100000008955_100000210624 [0,1,0,0,1,0|2,0,0]=4 6756 B16R2.3892 Cc1nc2ccc(cc2s1)OCC(C)C 7a_100000008955_100000210760 [0,1,0,0,1,0|2,0,0]=4 6757 B16R2.3954 CC(C)CSc1cc2[nH]ccc2cc1Br 62a_100000210624_100000703010 [0,1,0,0,1,0|1,1,0]=4 6758 B16R2.3954 CC(C)CSc1cc2[nH]ccc2cc1Br 62a_100000703010_100000210760 [0,1,0,0,1,0|1,1,0]=4 6759 B16R2.3954 CC(C)CSc1cc2[nH]ccc2cc1F 62a_100000210624_100009817181 [0,1,0,0,1,0|1,1,0]=4 6760 B16R2.3954 CC(C)CSc1cc2[nH]ccc2cc1F 62a_100009817181_100000210760 [0,1,0,0,1,0|1,1,0]=4 6761 B16R2.3954 CC(C)CSc1cc2cc[nH]c2cc1F 62a_100000210624_100000731065 [0,1,0,0,1,0|1,1,0]=4 6762 B16R2.3954 CC(C)CSc1cc2cc[nH]c2cc1F 62a_100000731065_100000210760 [0,1,0,0,1,0|1,1,0]=4 6763 B16R2.3954 CC(C)CSc1cc2cc[nH]c2cc1N 62a_100000210624_100010212544 [0,1,0,0,1,0|1,1,0]=4 6764 B16R2.3954 CC(C)CSc1cc2cc[nH]c2cc1N 62a_100010212544_100000210760 [0,1,0,0,1,0|1,1,0]=4 6765 B16R2.3954 Cc1cc2[nH]ccc2cc1SCC(C)C 62a_100000210624_100010199648 [0,1,0,0,1,0|1,1,0]=4 6766 B16R2.3954 Cc1cc2cc[nH]c2cc1SCC(C)C 62a_100000210624_100010199660 [0,1,0,0,1,0|1,1,0]=4 6767 B16R2.3954 Cc1cc2ccsc2cc1SCC(C)C 62a_100000210624_100010762285 [0,1,0,0,1,0|1,1,0]=4 6768 B16R2.3954 Cc1cc2ccsc2cc1SCC(C)C 62a_100010762285_100000210760 [0,1,0,0,1,0|1,1,0]=4 6769 B16R2.11587 CC(C)CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_100000210624 [0,1,0,0,1,0|2,0,0]=4 6770 B16R2.11587 CC(C)CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_100000210624 [0,1,0,0,1,0|2,0,0]=4 6771 B16R2.11587 CC(C)CC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210624 [0,1,0,0,1,0|2,0,0]=4 6772 B16R2.11587 CC(C)CC(=O)c1ccc2ccsc2c1 1458a_100000045399_100000210624 [0,1,0,0,1,0|2,0,0]=4 6773 B16R2.11587 CC(C)CC(=O)c1ccc2occc2c1 1458a_100000039204_100000210624 [0,1,0,0,1,0|2,0,0]=4 6774 B16R2.11587 CC(C)CC(=O)c1ccc2sccc2c1 1458a_100000766740_100000210624 [0,1,0,0,1,0|2,0,0]=4 6775 B16R2.11587 CC(C)C[C@H](N)c1ccc2[nH]ccc2c1 271570a_100015190218_100000211741 [0,1,0,0,1,0|2,0,0]=4 6776 B16R2.11587 CC(C)C[C@H](N)c1ccc2c(c1)C=CC2 271570a_100015190218_100009814306 [0,1,0,0,1,0|1,0,1]=4 6777 B16R2.11587 CC(C)C[C@H](N)c1ccc2c(c1)CC=C2 271570a_100015190218_200009818231 [0,1,0,0,1,0|1,0,1]=4 6778 B16R2.11587 CC(C)C[C@H](N)c1ccc2cc[nH]c2c1 271570a_100015190218_100000743809 [0,1,0,0,1,0|2,0,0]=4 6779 B16R2.11587 CC(C)C[C@H](N)c1ccc2ccoc2c1 271570a_100015190218_100000759542 [0,1,0,0,1,0|2,0,0]=4 6780 B16R2.11587 CC(C)C[C@H](N)c1ccc2ccsc2c1 271570a_100015190218_100009888917 [0,1,0,0,1,0|2,0,0]=4 6781 B16R2.11587 CC(C)C[C@H](N)c1ccc2cscc2c1 271570a_100015190218_200010760811 [0,1,0,0,1,0|2,0,0]=4 6782 B16R2.11587 CC(C)C[C@H](N)c1ccc2occc2c1 271570a_100015190218_100012343831 [0,1,0,0,1,0|2,0,0]=4 6783 B16R2.11587 CC(C)C[C@H](N)c1ccc2sccc2c1 271570a_100015190218_100009814439 [0,1,0,0,1,0|2,0,0]=4 6784 B16R2.15331 CC(C)C=Cc1ccc2c(c1)C=CC2=O 271570a_100016257149_100010210589 [0,1,0,0,1,0|1,0,1]=4 6785 B16R2.15331 CC(C)CNc1ccc2c(c1)ccn2C 34a_100011270241_100000210624 [0,1,0,0,1,0|2,0,0]=4 6786 B16R2.15331 CC(C)COc1ccc2c(c1)CCC2=O 34a_100000708912_100000210624 [0,1,0,0,1,0|0,0,2]=4 6787 B16R2.15331 CC(C)COc1ccc2c(c1)CCC2=O 7a_100000708912_100000210760 [0,1,0,0,1,0|0,0,2]=4 6788 B16R2.15331 CC(C)COc1ccc2c(c1)CNC2=O 34a_100000098542_100000210624 [0,1,0,0,1,0|1,0,1]=4 6789 B16R2.15331 CC(C)COc1ccc2c(c1)COC2=O 7a_100000044543_100000210760 [0,1,0,0,1,0|1,0,1]=4 6790 B16R2.15331 CC(C)COc1ccc2c(c1)cnn2C 34a_100009859523_100000210624 [0,1,0,0,1,0|2,0,0]=4 6791 B16R2.15331 CC(C)COc1ccc2c(c1)cnn2C 7a_100009859523_100000210760 [0,1,0,0,1,0|2,0,0]=4 6792 B16R2.15331 CC(C)COc1ccc2c(c1)ncn2C 34a_100000028553_100000210624 [0,1,0,0,1,0|2,0,0]=4 6793 B16R2.15331 CC(C)CSc1ccc2c(c1)C=CC2=O 62a_100000210624_100010210589 [0,1,0,0,1,0|0,1,0]=3 6794 B16R2.15331 CC(C)CSc1ccc2c(c1)C=CC2=O 62a_100010210589_100000210760 [0,1,0,0,1,0|0,1,0]=3 6795 B16R2.15331 CC(C)CSc1ccc2c(c1)ccn2C 62a_100000210624_100011202928 [0,1,0,0,1,0|1,1,0]=4 6796 B16R2.15331 CC(O)CSc1ccc2c(c1)C=CC2=O 62a_100010210589_100011218427 [0,1,0,0,1,0|1,1,0]=4 6797 B16R2.15331 CC(O)CSc1ccc2c(c1)C=CC2=O 62a_100011218427_100010210589 [0,1,0,0,1,0|1,1,0]=4 6798 B16R2.15331 C[C@@H](O)CSc1ccc2c(c1)C=CC2=O 62a_100009817552_100010210589 [0,1,0,0,1,0|1,1,0]=4 6799 B16R2.15331 C[C@@H](O)CSc1ccc2c(c1)C=CC2=O 62a_100010210589_100009817552 [0,1,0,0,1,0|1,1,0]=4 6800 B16R2.15331 Cc1c[nH]c2c1ccc(c2)SCC(C)C 62a_100000210624_100010209589 [0,1,0,0,1,0|1,1,0]=4 6801 B16R2.15331 Cc1coc2c1ccc(c2)SCC(C)C 62a_100000210624_100010775837 [0,1,0,0,1,0|1,1,0]=4 6802 B16R2.15331 Cc1noc2c1ccc(c2)OCC(C)C 34a_200000076027_100000210624 [0,1,0,0,1,0|2,0,0]=4 6803 B16R2.24931 CC(C)CNc1cc(c2cc[nH]c2c1)F 34a_100000085187_100000210624 [0,1,0,0,1,0|2,0,0]=4 6804 B16R2.24931 CC(C)COc1cc(c2occc2c1)Br 34a_200010248604_100000210624 [0,1,0,0,1,0|1,0,0]=3 6805 B16R2.24931 CC(C)COc1cc(c2occc2c1)Br 7a_200010248604_100000210760 [0,1,0,0,1,0|1,0,0]=3 6806 B16R2.24931 CC(C)CSc1cc(c2[nH]ccc2c1)F 62a_100000210624_100010138380 [0,1,0,0,1,0|1,1,0]=4 6807 B16R2.24931 CC(C)CSc1cc(c2[nH]ccc2c1)N 62a_100000210624_100009813507 [0,1,0,0,1,0|1,1,0]=4 6808 B16R2.24931 CC(C)CSc1cc(c2cc[nH]c2c1)Br 62a_100000210624_100009814775 [0,1,0,0,1,0|1,1,0]=4 6809 B16R2.24931 CC(C)CSc1cc(c2cc[nH]c2c1)Br 62a_100009814775_100000210760 [0,1,0,0,1,0|1,1,0]=4 6810 B16R2.24931 CC(C)CSc1cc(c2cc[nH]c2c1)F 62a_100000210624_100010186028 [0,1,0,0,1,0|1,1,0]=4 6811 B16R2.24931 CC(C)CSc1cc(c2cc[nH]c2c1)F 62a_100010186028_100000210760 [0,1,0,0,1,0|1,1,0]=4 6812 B16R2.24931 CC(C)CSc1cc(c2cc[nH]c2c1)N 62a_100000210624_106744500199 [0,1,0,0,1,0|1,1,0]=4 6813 B16R2.24931 CC(C)CSc1cc(c2occc2c1)F 62a_100000210624_100012355474 [0,1,0,0,1,0|1,1,0]=4 6814 B16R2.24931 CC(O)COc1cc(c2occc2c1)Br 34a_200010248604_100011218427 [0,1,0,0,1,0|2,0,0]=4 6815 B16R2.24931 CC(O)COc1cc(c2occc2c1)Br 7a_200010248604_100011218427 [0,1,0,0,1,0|2,0,0]=4 6816 B16R2.24931 C[C@@H](O)COc1cc(c2occc2c1)Br 34a_200010248604_100009817552 [0,1,0,0,1,0|2,0,0]=4 6817 B16R2.24931 C[C@@H](O)COc1cc(c2occc2c1)Br 7a_200010248604_100009817552 [0,1,0,0,1,0|2,0,0]=4 6818 B16R2.24931 Cc1cc(cc2c1[nH]cc2)SCC(C)C 62a_100000210624_100009817142 [0,1,0,0,1,0|1,1,0]=4 6819 B16R2.24931 Cc1cc(cc2c1ncs2)OCC(C)C 34a_200009842467_100000210624 [0,1,0,0,1,0|2,0,0]=4 6820 B16R2.24931 Cc1cc(cc2c1ncs2)OCC(C)C 7a_200009842467_100000210760 [0,1,0,0,1,0|2,0,0]=4 6821 B16R2.24931 Cc1cc(cc2c1occ2)SCC(C)C 62a_100000210624_100012361858 [0,1,0,0,1,0|1,1,0]=4 6822 B16R2.82843 CC(C)(C)CNc1ccc2ccoc2c1 34a_100000102395_100011219605 [0,1,0,0,1,0|2,0,0]=4 6823 B16R2.82843 CC(C)(C)CNc1ccc2occc2c1 34a_106430523501_100011219605 [0,1,0,0,1,0|2,0,0]=4 6824 B16R2.82843 CC(C)(C)CNc1ccc2sccc2c1 34a_100000681076_100011219605 [0,1,0,0,1,0|2,0,0]=4 6825 B16R2.82843 CC(C)(C)COc1ccc2[nH]ccc2c1 34a_100000756620_100011219605 [0,1,0,0,1,0|1,0,0]=3 6826 B16R2.82843 CC(C)(C)COc1ccc2cc[nH]c2c1 34a_100000036713_100011219605 [0,1,0,0,1,0|1,0,0]=3 6827 B16R2.82843 CC(C)(C)COc1ccc2ccoc2c1 34a_100000089557_100011219605 [0,1,0,0,1,0|1,0,0]=3 6828 B16R2.82843 CC(C)(C)COc1ccc2cnoc2c1 34a_100000098417_100011219605 [0,1,0,0,1,0|2,0,0]=4 6829 B16R2.82843 CC(C)(C)COc1ccc2ncsc2c1 34a_100011995850_100011219605 [0,1,0,0,1,0|2,0,0]=4 6830 B16R2.82843 CC(C)(C)COc1ccc2occc2c1 34a_100000070125_100011219605 [0,1,0,0,1,0|1,0,0]=3 6831 B16R2.82843 CC(C)(C)COc1ccc2sccc2c1 34a_100012180905_100011219605 [0,1,0,0,1,0|1,0,0]=3 6832 B16R2.82843 CC(C)(C)COc1ccc2scnc2c1 34a_200009850626_100011219605 [0,1,0,0,1,0|2,0,0]=4 6833 B16R2.82843 CC(C)(C)COc1ccn2ccnc2c1 34a_100009863278_100011219605 [0,1,0,0,1,0|2,0,0]=4 6834 B16R2.82843 CC(C)(C)COc1cnc2[nH]ccc2c1 34a_100000087691_100011219605 [0,1,0,0,1,0|2,0,0]=4 6835 B16R2.82843 CC(C)(C)CSc1ccc2[nH]ccc2c1 62a_100011219605_100000035808 [0,1,0,0,1,0|1,1,0]=4 6836 B16R2.82843 CC(C)(C)CSc1ccc2c(c1)C=CC2 62a_100009814306_100011219605 [0,1,0,0,1,0|0,1,1]=4 6837 B16R2.82843 CC(C)(C)CSc1ccc2c(c1)C=CC2 62a_100011219605_100009814306 [0,1,0,0,1,0|0,1,1]=4 6838 B16R2.82843 CC(C)(C)CSc1ccc2c(c1)CC=C2 62a_100011219605_200009818231 [0,1,0,0,1,0|0,1,1]=4 6839 B16R2.82843 CC(C)(C)CSc1ccc2c(c1)CC=C2 62a_200009818231_100011219605 [0,1,0,0,1,0|0,1,1]=4 6840 B16R2.82843 CC(C)(C)CSc1ccc2cc[nH]c2c1 62a_100011219605_100000743809 [0,1,0,0,1,0|1,1,0]=4 6841 B16R2.82843 CC(C)(C)CSc1ccc2ccoc2c1 62a_100011219605_100000759542 [0,1,0,0,1,0|1,1,0]=4 6842 B16R2.82843 CC(C)(C)CSc1ccc2occc2c1 62a_100011219605_100000691453 [0,1,0,0,1,0|1,1,0]=4 6843 B16R2.82843 CC(C)(F)CNc1ccc2ccoc2c1 34a_100000102395_100011997219 [0,1,0,0,1,0|2,0,0]=4 6844 B16R2.82843 CC(C)(F)CNc1ccc2occc2c1 34a_106430523501_100011997219 [0,1,0,0,1,0|2,0,0]=4 6845 B16R2.82843 CC(C)(F)CNc1ccc2sccc2c1 34a_100000681076_100011997219 [0,1,0,0,1,0|2,0,0]=4 6846 B16R2.82843 CC(C)(F)COc1ccc2[nH]ccc2c1 34a_100000756620_100011997219 [0,1,0,0,1,0|1,0,0]=3 6847 B16R2.82843 CC(C)(F)COc1ccc2cc[nH]c2c1 34a_100000036713_100011997219 [0,1,0,0,1,0|1,0,0]=3 6848 B16R2.82843 CC(C)(F)COc1ccc2ccoc2c1 34a_100000089557_100011997219 [0,1,0,0,1,0|1,0,0]=3 6849 B16R2.82843 CC(C)(F)COc1ccc2cnoc2c1 34a_100000098417_100011997219 [0,1,0,0,1,0|2,0,0]=4 6850 B16R2.82843 CC(C)(F)COc1ccc2ncsc2c1 34a_100011995850_100011997219 [0,1,0,0,1,0|2,0,0]=4 6851 B16R2.82843 CC(C)(F)COc1ccc2occc2c1 34a_100000070125_100011997219 [0,1,0,0,1,0|1,0,0]=3 6852 B16R2.82843 CC(C)(F)COc1ccc2sccc2c1 34a_100012180905_100011997219 [0,1,0,0,1,0|1,0,0]=3 6853 B16R2.82843 CC(C)(F)COc1ccc2scnc2c1 34a_200009850626_100011997219 [0,1,0,0,1,0|2,0,0]=4 6854 B16R2.82843 CC(C)(F)COc1ccn2ccnc2c1 34a_100009863278_100011997219 [0,1,0,0,1,0|2,0,0]=4 6855 B16R2.82843 CC(C)(F)COc1cnc2[nH]ccc2c1 34a_100000087691_100011997219 [0,1,0,0,1,0|2,0,0]=4 6856 B16R2.82843 CC(C)(F)CSc1ccc2[nH]ccc2c1 62a_100011997219_100000035808 [0,1,0,0,1,0|1,1,0]=4 6857 B16R2.82843 CC(C)(F)CSc1ccc2c(c1)C=CC2 62a_100009814306_100011997219 [0,1,0,0,1,0|0,1,1]=4 6858 B16R2.82843 CC(C)(F)CSc1ccc2c(c1)C=CC2 62a_100011997219_100009814306 [0,1,0,0,1,0|0,1,1]=4 6859 B16R2.82843 CC(C)(F)CSc1ccc2c(c1)CC=C2 62a_100011997219_200009818231 [0,1,0,0,1,0|0,1,1]=4 6860 B16R2.82843 CC(C)(F)CSc1ccc2c(c1)CC=C2 62a_200009818231_100011997219 [0,1,0,0,1,0|0,1,1]=4 6861 B16R2.82843 CC(C)(F)CSc1ccc2cc[nH]c2c1 62a_100011997219_100000743809 [0,1,0,0,1,0|1,1,0]=4 6862 B16R2.82843 CC(C)(F)CSc1ccc2ccoc2c1 62a_100011997219_100000759542 [0,1,0,0,1,0|1,1,0]=4 6863 B16R2.82843 CC(C)(F)CSc1ccc2ccsc2c1 62a_100011997219_100009888917 [0,1,0,0,1,0|1,1,0]=4 6864 B16R2.82843 CC(C)(F)CSc1ccc2cscc2c1 62a_100011997219_200010760811 [0,1,0,0,1,0|1,1,0]=4 6865 B16R2.82843 CC(C)(F)CSc1ccc2occc2c1 62a_100011997219_100000691453 [0,1,0,0,1,0|1,1,0]=4 6866 B16R2.82843 CC(C)(F)CSc1ccc2sccc2c1 62a_100011997219_100009814439 [0,1,0,0,1,0|1,1,0]=4 6867 B16R2.82843 CC(C)(O)CNc1ccc2ccoc2c1 34a_100000102395_100000764493 [0,1,0,0,1,0|2,0,0]=4 6868 B16R2.82843 CC(C)(O)CNc1ccc2occc2c1 34a_106430523501_100000764493 [0,1,0,0,1,0|2,0,0]=4 6869 B16R2.82843 CC(C)(O)CNc1ccc2sccc2c1 34a_100000681076_100000764493 [0,1,0,0,1,0|2,0,0]=4 6870 B16R2.82843 CC(C)(O)COc1ccc2[nH]ccc2c1 34a_100000756620_100000764493 [0,1,0,0,1,0|1,0,0]=3 6871 B16R2.82843 CC(C)(O)COc1ccc2cc[nH]c2c1 34a_100000036713_100000764493 [0,1,0,0,1,0|1,0,0]=3 6872 B16R2.82843 CC(C)(O)COc1ccc2ccoc2c1 34a_100000089557_100000764493 [0,1,0,0,1,0|1,0,0]=3 6873 B16R2.82843 CC(C)(O)COc1ccc2ccoc2c1 7a_100000089557_100000764493 [0,1,0,0,1,0|1,0,0]=3 6874 B16R2.82843 CC(C)(O)COc1ccc2cnoc2c1 34a_100000098417_100000764493 [0,1,0,0,1,0|2,0,0]=4 6875 B16R2.82843 CC(C)(O)COc1ccc2cnoc2c1 7a_100000098417_100000764493 [0,1,0,0,1,0|2,0,0]=4 6876 B16R2.82843 CC(C)(O)COc1ccc2ncsc2c1 34a_100011995850_100000764493 [0,1,0,0,1,0|2,0,0]=4 6877 B16R2.82843 CC(C)(O)COc1ccc2ncsc2c1 7a_100011995850_100000764493 [0,1,0,0,1,0|2,0,0]=4 6878 B16R2.82843 CC(C)(O)COc1ccc2occc2c1 34a_100000070125_100000764493 [0,1,0,0,1,0|1,0,0]=3 6879 B16R2.82843 CC(C)(O)COc1ccc2occc2c1 7a_100000070125_100000764493 [0,1,0,0,1,0|1,0,0]=3 6880 B16R2.82843 CC(C)(O)COc1ccc2sccc2c1 34a_100012180905_100000764493 [0,1,0,0,1,0|1,0,0]=3 6881 B16R2.82843 CC(C)(O)COc1ccc2sccc2c1 7a_100012180905_100000764493 [0,1,0,0,1,0|1,0,0]=3 6882 B16R2.82843 CC(C)(O)COc1ccc2scnc2c1 34a_200009850626_100000764493 [0,1,0,0,1,0|2,0,0]=4 6883 B16R2.82843 CC(C)(O)COc1ccc2scnc2c1 7a_200009850626_100000764493 [0,1,0,0,1,0|2,0,0]=4 6884 B16R2.82843 CC(C)(O)COc1ccn2ccnc2c1 34a_100009863278_100000764493 [0,1,0,0,1,0|2,0,0]=4 6885 B16R2.82843 CC(C)(O)COc1cnc2[nH]ccc2c1 34a_100000087691_100000764493 [0,1,0,0,1,0|2,0,0]=4 6886 B16R2.82843 CC(C)(O)CSc1ccc2[nH]ccc2c1 62a_100000764493_100000035808 [0,1,0,0,1,0|1,1,0]=4 6887 B16R2.82843 CC(C)(O)CSc1ccc2c(c1)C=CC2 62a_100000764493_100009814306 [0,1,0,0,1,0|0,1,1]=4 6888 B16R2.82843 CC(C)(O)CSc1ccc2c(c1)C=CC2 62a_100009814306_100000764493 [0,1,0,0,1,0|0,1,1]=4 6889 B16R2.82843 CC(C)(O)CSc1ccc2c(c1)CC=C2 62a_100000764493_200009818231 [0,1,0,0,1,0|0,1,1]=4 6890 B16R2.82843 CC(C)(O)CSc1ccc2c(c1)CC=C2 62a_200009818231_100000764493 [0,1,0,0,1,0|0,1,1]=4 6891 B16R2.82843 CC(C)(O)CSc1ccc2cc[nH]c2c1 62a_100000764493_100000743809 [0,1,0,0,1,0|1,1,0]=4 6892 B16R2.82843 CC(C)(O)CSc1ccc2ccoc2c1 62a_100000764493_100000759542 [0,1,0,0,1,0|1,1,0]=4 6893 B16R2.82843 CC(C)(O)CSc1ccc2ccsc2c1 62a_100000764493_100009888917 [0,1,0,0,1,0|1,1,0]=4 6894 B16R2.82843 CC(C)(O)CSc1ccc2cscc2c1 62a_100000764493_200010760811 [0,1,0,0,1,0|1,1,0]=4 6895 B16R2.82843 CC(C)(O)CSc1ccc2occc2c1 62a_100000764493_100000691453 [0,1,0,0,1,0|1,1,0]=4 6896 B16R2.82843 CC(C)(O)CSc1ccc2sccc2c1 62a_100000764493_100009814439 [0,1,0,0,1,0|1,1,0]=4 6897 B16R2.82843 C[Si](C)(C)COc1ccc2ccoc2c1 7a_100000089557_100000233785 [0,1,0,0,1,0|1,1,0]=4 6898 B16R2.82843 C[Si](C)(C)COc1ccc2occc2c1 7a_100000070125_100000233785 [0,1,0,0,1,0|1,1,0]=4 6899 B16R2.82843 C[Si](C)(C)COc1ccc2sccc2c1 7a_100012180905_100000233785 [0,1,0,0,1,0|1,1,0]=4 6900 B16R2.83537 CC(C)COc1ccc2[nH]ncc2c1Cl 7a_100009844731_100000210760 [0,1,0,0,1,0|2,0,0]=4 6901 B16R2.83537 CC(C)CSc1ccc2[nH]ccc2c1F 62a_100000210624_100000700836 [0,1,0,0,1,0|1,1,0]=4 6902 B16R2.83537 CC(C)CSc1ccc2[nH]ccc2c1F 62a_100000700836_100000210760 [0,1,0,0,1,0|1,1,0]=4 6903 B16R2.83537 Cc1c(ccc2c1[nH]cc2)SCC(C)C 62a_100000210624_100009816929 [0,1,0,0,1,0|1,1,0]=4 6904 B16R2.83537 Cc1c(ccc2c1cc[nH]2)SCC(C)C 62a_100000210624_100010731972 [0,1,0,0,1,0|1,1,0]=4 6905 B16R2.97934 CC(C)CNc1ccc2ccn(c2c1)C 34a_100000712629_100000210624 [0,1,0,0,1,0|2,0,0]=4 6906 B16R2.97934 CC(C)CNc1ccc2scc(c2c1)Br 2230a_100011178648_100000210760 [0,1,0,0,1,0|2,0,0]=4 6907 B16R2.97934 CC(C)CNc1ccc2scc(c2c1)Br 34a_100011178648_100000210624 [0,1,0,0,1,0|2,0,0]=4 6908 B16R2.97934 CC(C)COc1ccc2c(c1)C(=O)CC2 34a_100009827925_100000210624 [0,1,0,0,1,0|0,0,2]=4 6909 B16R2.97934 CC(C)COc1ccc2c(c1)C(=O)CC2 7a_100009827925_100000210760 [0,1,0,0,1,0|0,0,2]=4 6910 B16R2.97934 CC(C)COc1ccc2c(c1)C(=O)NC2 34a_100000087830_100000210624 [0,1,0,0,1,0|1,0,1]=4 6911 B16R2.97934 CC(C)COc1ccc2cnn(c2c1)C 34a_100009862793_100000210624 [0,1,0,0,1,0|2,0,0]=4 6912 B16R2.97934 CC(C)CSc1ccc2ccn(c2c1)C 62a_100000210624_100011934912 [0,1,0,0,1,0|1,1,0]=4 6913 B16R2.97934 Cc1c[nH]c2c1cc(cc2)OCC(C)C 34a_100000131216_100000210624 [0,1,0,0,1,0|1,0,0]=3 6914 B16R2.97934 Cc1c[nH]c2c1cc(cc2)OCC(C)O 34a_100000131216_100011218427 [0,1,0,0,1,0|2,0,0]=4 6915 B16R2.97934 Cc1c[nH]c2c1cc(cc2)OC[C@@H](C)O 34a_100000131216_100009817552 [0,1,0,0,1,0|2,0,0]=4 6916 B16R2.97934 Cc1c[nH]c2c1cc(cc2)SCC(C)C 62a_100000210624_100009816687 [0,1,0,0,1,0|1,1,0]=4 6917 B16R2.97934 Cc1coc2c1cc(cc2)SCC(C)C 62a_100000210624_100000728893 [0,1,0,0,1,0|1,1,0]=4 6918 B16R2.97934 Cc1csc2c1cc(cc2)SCC(C)C 62a_100000210624_100009814196 [0,1,0,0,1,0|1,1,0]=4 6919 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1Br 34a_100009817189_100000730704 [0,1,0,0,0,1|0,0,2]=4 6920 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000730704 [0,1,0,0,0,1|0,0,2]=4 6921 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1C 34a_100000091601_100000730704 [0,1,0,0,0,1|0,0,2]=4 6922 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1C 7a_100000091601_100000730704 [0,1,0,0,0,1|0,0,2]=4 6923 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1N 34a_106744474703_100000730704 [0,1,0,0,0,1|0,0,2]=4 6924 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000730704 [0,1,0,0,0,1|0,0,2]=4 6925 B18R2.6153 CC(=CCNc1cc2ccccc2cc1Br)C 34a_100009991566_100000761012 [0,1,0,0,0,1|1,0,1]=4 6926 B18R2.6153 CC(=CCNc1cc2ccccc2cc1Br)C 7a_100009991566_100000761012 [0,1,0,0,0,1|1,0,1]=4 6927 B18R2.6153 CC(=CCOc1cc2ccccc2cc1Br)C 34a_100009817189_100000761012 [0,1,0,0,0,1|0,0,1]=3 6928 B18R2.6153 CC(=CCOc1cc2ccccc2cc1Br)C 7a_100009817189_100000761012 [0,1,0,0,0,1|0,0,1]=3 6929 B18R2.6153 CC(=CCOc1cc2ccccc2cc1C)C 34a_100000091601_100000761012 [0,1,0,0,0,1|0,0,1]=3 6930 B18R2.6153 CC(=CCOc1cc2ccccc2cc1C)C 7a_100000091601_100000761012 [0,1,0,0,0,1|0,0,1]=3 6931 B18R2.6153 CC(=CCOc1cc2ccccc2cc1N)C 34a_106744474703_100000761012 [0,1,0,0,0,1|0,0,1]=3 6932 B18R2.6153 CC(=CCOc1cc2ccccc2cc1N)C 7a_106744474703_100000761012 [0,1,0,0,0,1|0,0,1]=3 6933 B18R2.6153 CC(=CCOc1cc2ccccc2nc1C)C 34a_200000079175_100000761012 [0,1,0,0,0,1|1,0,1]=4 6934 B18R2.6153 CC(=CCOc1cc2ccccc2nc1C)C 7a_200000079175_100000761012 [0,1,0,0,0,1|1,0,1]=4 6935 B18R2.6153 CC(=CCOc1cc2ccccc2nc1Cl)C 34a_200000100762_100000761012 [0,1,0,0,0,1|1,0,1]=4 6936 B18R2.6153 CC(=CCOc1cc2ccccc2nc1Cl)C 7a_200000100762_100000761012 [0,1,0,0,0,1|1,0,1]=4 6937 B18R2.6153 CC(=CCOc1cc2ccccc2oc1=O)C 7a_100000061252_100000761012 [0,1,0,0,0,1|1,0,1]=4 6938 B18R2.6153 CC(=CCOc1cc2cccnc2cc1Br)C 34a_200010153759_100000761012 [0,1,0,0,0,1|1,0,1]=4 6939 B18R2.6153 CC(=CCOc1cc2cccnc2cc1Br)C 7a_200010153759_100000761012 [0,1,0,0,0,1|1,0,1]=4 6940 B18R2.6153 CC(=CCSc1cc2ccccc2cc1N)C 62a_100000761012_100009991566 [0,1,0,0,0,1|0,1,1]=4 6941 B18R2.6153 CC(=CCSc1cc2ccccc2cc1N)C 62a_100009991566_100000761012 [0,1,0,0,0,1|0,1,1]=4 6942 B18R2.6153 CC(=CCSc1cc2ccccc2cc1O)C 62a_100000761012_100009817189 [0,1,0,0,0,1|0,1,1]=4 6943 B18R2.6153 CC(=O)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000053229 [0,1,0,0,0,1|1,0,1]=4 6944 B18R2.6153 CC(=O)CCOc1cc2ccccc2cc1C 7a_100000091601_100000053229 [0,1,0,0,0,1|1,0,1]=4 6945 B18R2.6153 CC(=O)CCOc1cc2ccccc2cc1N 7a_106744474703_100000053229 [0,1,0,0,0,1|1,0,1]=4 6946 B18R2.6153 CC(=O)OCOc1cc2ccccc2cc1Br 34a_100009817189_100009813279 [0,1,0,0,0,1|1,0,1]=4 6947 B18R2.6153 CC(=O)OCOc1cc2ccccc2cc1C 34a_100000091601_100009813279 [0,1,0,0,0,1|1,0,1]=4 6948 B18R2.6153 CC(=O)OCOc1cc2ccccc2cc1N 34a_106744474703_100009813279 [0,1,0,0,0,1|1,0,1]=4 6949 B18R2.6153 CC(Br)COCc1cc2ccccc2nc1Cl 34a_100012180447_100000189640 [0,1,0,0,0,1|2,0,0]=4 6950 B18R2.6153 CC(C)CC=Cc1cc2ccccc2cc1N 271570a_100016259101_100009991566 [0,1,0,0,0,1|1,0,0]=3 6951 B18R2.6153 CC(C)CC=Cc1cc2ccccc2cc1O 271570a_100016259101_100009817189 [0,1,0,0,0,1|1,0,0]=3 6952 B18R2.6153 CC(C)CC=Cc1cc2ccccc2nc1Cl 271570a_100016259101_100010220712 [0,1,0,0,0,1|2,0,0]=4 6953 B18R2.6153 CC(C)CC=Cc1cc2ccccc2nc1F 271570a_100016259101_100011158909 [0,1,0,0,0,1|2,0,0]=4 6954 B18R2.6153 CC(C)CC=Cc1cc2ccccc2nc1N 271570a_100016259101_100010135404 [0,1,0,0,0,1|2,0,0]=4 6955 B18R2.6153 CC(C)CC=Cc1cc2ccccc2nc1O 271570a_100016259101_200009820883 [0,1,0,0,0,1|2,0,0]=4 6956 B18R2.6153 CC(C)CC=Cc1cc2ccccc2oc1=O 271570a_100016259101_200000187772 [0,1,0,0,0,1|2,0,0]=4 6957 B18R2.6153 CC(C)CC=Cc1cc2cccnc2cc1F 271570a_100016259101_100009854028 [0,1,0,0,0,1|2,0,0]=4 6958 B18R2.6153 CC(C)CC=Cc1cc2ccncc2cc1F 271570a_100016259101_100011105921 [0,1,0,0,0,1|2,0,0]=4 6959 B18R2.6153 CC(C)CC=Cc1cc2cnccc2cc1F 271570a_100016259101_100010244713 [0,1,0,0,0,1|2,0,0]=4 6960 B18R2.6153 CC(C)CC=Cc1cc2ncccc2cc1O 271570a_100016259101_200010153759 [0,1,0,0,0,1|2,0,0]=4 6961 B18R2.6153 CC(C)CC=Cc1nc2ccccc2cc1O 271570a_100016259101_200000100762 [0,1,0,0,0,1|2,0,0]=4 6962 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1N 34a_106744474703_100000210312 [0,1,0,0,0,1|0,0,0]=2 6963 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000210626 [0,1,0,0,0,1|0,0,0]=2 6964 B18R2.6153 CC(C)CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210312 [0,1,0,0,0,1|1,0,0]=3 6965 B18R2.6153 CC(C)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210626 [0,1,0,0,0,1|1,0,0]=3 6966 B18R2.6153 CC(C)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210626 [0,1,0,0,0,1|1,0,0]=3 6967 B18R2.6153 CC(C)CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210312 [0,1,0,0,0,1|1,0,0]=3 6968 B18R2.6153 CC(C)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210626 [0,1,0,0,0,1|1,0,0]=3 6969 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1N 62a_100000210312_100009991566 [0,1,0,0,0,1|0,1,0]=3 6970 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1N 62a_100009991566_100000210312 [0,1,0,0,0,1|0,1,0]=3 6971 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1O 62a_100000210312_100009817189 [0,1,0,0,0,1|0,1,0]=3 6972 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1F 62a_100000210312_100011158909 [0,1,0,0,0,1|1,1,0]=4 6973 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1F 62a_100011158909_100000210312 [0,1,0,0,0,1|1,1,0]=4 6974 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1N 62a_100010135404_100000210312 [0,1,0,0,0,1|1,1,0]=4 6975 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1O 62a_100000210312_200009820883 [0,1,0,0,0,1|1,1,0]=4 6976 B18R2.6153 CC(C)CCSc1cc2ccccc2oc1=O 62a_100000210312_200000187772 [0,1,0,0,0,1|1,1,0]=4 6977 B18R2.6153 CC(C)CCSc1cc2cccnc2cc1F 62a_100000210312_100009854028 [0,1,0,0,0,1|1,1,0]=4 6978 B18R2.6153 CC(C)CCSc1cc2cccnc2cc1F 62a_100009854028_100000210312 [0,1,0,0,0,1|1,1,0]=4 6979 B18R2.6153 CC(C)CCSc1cc2ccncc2cc1F 62a_100000210312_100011105921 [0,1,0,0,0,1|1,1,0]=4 6980 B18R2.6153 CC(C)CCSc1cc2ccncc2cc1F 62a_100011105921_100000210312 [0,1,0,0,0,1|1,1,0]=4 6981 B18R2.6153 CC(C)CCSc1cc2cnccc2cc1F 62a_100000210312_100010244713 [0,1,0,0,0,1|1,1,0]=4 6982 B18R2.6153 CC(C)CCSc1cc2cnccc2cc1F 62a_100010244713_100000210312 [0,1,0,0,0,1|1,1,0]=4 6983 B18R2.6153 CC(C)CCSc1cc2ncccc2cc1O 62a_100000210312_200010153759 [0,1,0,0,0,1|1,1,0]=4 6984 B18R2.6153 CC(C)CCSc1nc2ccccc2cc1O 62a_100000210312_200000100762 [0,1,0,0,0,1|1,1,0]=4 6985 B18R2.6153 CC(C)CNCc1cc2ccccc2cc1Br 26a_100000210953_100009817189 [0,1,0,0,0,1|1,0,0]=3 6986 B18R2.6153 CC(C)CNCc1cc2ccccc2nc1Cl 2230a_100000210953_100000189640 [0,1,0,0,0,1|2,0,0]=4 6987 B18R2.6153 CC(C)CNCc1cc2ccccc2nc1Cl 34a_100000210953_100000189640 [0,1,0,0,0,1|2,0,0]=4 6988 B18R2.6153 CC(C)CNCc1cc2ccccc2nc1O 207a_100000210953_100000184424 [0,1,0,0,0,1|2,0,0]=4 6989 B18R2.6153 CC(C)CNCc1cc2ccccc2nc1O 270004a_100000210953_100000184424 [0,1,0,0,0,1|2,0,0]=4 6990 B18R2.6153 CC(C)CNCc1cc2cccnc2cc1Br 26a_100000210953_200010153759 [0,1,0,0,0,1|2,0,0]=4 6991 B18R2.6153 CC(C)COCc1cc2ccccc2nc1Cl 34a_100000210257_100000189640 [0,1,0,0,0,1|1,0,0]=3 6992 B18R2.6153 CC(C)COCc1cc2ccccc2nc1Cl 34a_100000754719_100000210624 [0,1,0,0,0,1|1,0,0]=3 6993 B18R2.6153 CC(C)COCc1cc2ccccc2nc1Cl 7a_100000754719_100000210760 [0,1,0,0,0,1|1,0,0]=3 6994 B18R2.6153 CC(C)CSCc1cc2ccccc2nc1Cl 62a_100000210624_100000189640 [0,1,0,0,0,1|1,1,0]=4 6995 B18R2.6153 CC(C)NCCc1cc2ccccc2nc1Cl 2230a_100138425928_100000066995 [0,1,0,0,0,1|2,0,0]=4 6996 B18R2.6153 CC(C)NCCc1cc2ccccc2nc1Cl 34a_100138425928_100000066995 [0,1,0,0,0,1|2,0,0]=4 6997 B18R2.6153 CC(C)NN=Cc1cc2ccccc2cc1O 4a_100000741168_200000074671 [0,1,0,0,0,1|2,0,0]=4 6998 B18R2.6153 CC(C)OCCc1cc2ccccc2nc1Cl 34a_100000212225_100000066995 [0,1,0,0,0,1|2,0,0]=4 6999 B18R2.6153 CC(C)OCNc1cc2ccccc2cc1Br 34a_100009991566_100000709892 [0,1,0,0,0,1|1,0,0]=3 7000 B18R2.6153 CC(C)OCOc1cc2ccccc2cc1Br 34a_100009817189_100000709892 [0,1,0,0,0,1|0,0,0]=2 7001 B18R2.6153 CC(C)OCOc1cc2ccccc2cc1N 34a_106744474703_100000709892 [0,1,0,0,0,1|0,0,0]=2 7002 B18R2.6153 CC(C)OCOc1cc2ccccc2nc1Cl 34a_200000100762_100000709892 [0,1,0,0,0,1|1,0,0]=3 7003 B18R2.6153 CC(C)OCOc1cc2cccnc2cc1Br 34a_200010153759_100000709892 [0,1,0,0,0,1|1,0,0]=3 7004 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1Cl 62a_100000709892_100010152806 [0,1,0,0,0,1|0,1,0]=3 7005 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1Cl 62a_100010152806_100000709892 [0,1,0,0,0,1|0,1,0]=3 7006 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1N 62a_100000709892_100009991566 [0,1,0,0,0,1|0,1,0]=3 7007 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1N 62a_100009991566_100000709892 [0,1,0,0,0,1|0,1,0]=3 7008 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1O 62a_100000709892_100009817189 [0,1,0,0,0,1|0,1,0]=3 7009 B18R2.6153 CC(C)OCSc1cc2ccccc2nc1Cl 62a_100000709892_100010220712 [0,1,0,0,0,1|1,1,0]=4 7010 B18R2.6153 CC(C)OCSc1cc2ccccc2nc1F 62a_100000709892_100011158909 [0,1,0,0,0,1|1,1,0]=4 7011 B18R2.6153 CC(C)OCSc1cc2ccccc2nc1F 62a_100011158909_100000709892 [0,1,0,0,0,1|1,1,0]=4 7012 B18R2.6153 CC(C)OCSc1cc2ccccc2nc1N 62a_100010135404_100000709892 [0,1,0,0,0,1|1,1,0]=4 7013 B18R2.6153 CC(C)OCSc1cc2ccccc2nc1O 62a_100000709892_200009820883 [0,1,0,0,0,1|1,1,0]=4 7014 B18R2.6153 CC(C)OCSc1cc2ccccc2oc1=O 62a_100000709892_200000187772 [0,1,0,0,0,1|1,1,0]=4 7015 B18R2.6153 CC(C)OCSc1cc2cccnc2cc1F 62a_100000709892_100009854028 [0,1,0,0,0,1|1,1,0]=4 7016 B18R2.6153 CC(C)OCSc1cc2cccnc2cc1F 62a_100009854028_100000709892 [0,1,0,0,0,1|1,1,0]=4 7017 B18R2.6153 CC(C)OCSc1cc2ccncc2cc1F 62a_100000709892_100011105921 [0,1,0,0,0,1|1,1,0]=4 7018 B18R2.6153 CC(C)OCSc1cc2ccncc2cc1F 62a_100011105921_100000709892 [0,1,0,0,0,1|1,1,0]=4 7019 B18R2.6153 CC(C)OCSc1cc2cnccc2cc1F 62a_100000709892_100010244713 [0,1,0,0,0,1|1,1,0]=4 7020 B18R2.6153 CC(C)OCSc1cc2cnccc2cc1F 62a_100010244713_100000709892 [0,1,0,0,0,1|1,1,0]=4 7021 B18R2.6153 CC(C)OCSc1cc2ncccc2cc1O 62a_100000709892_200010153759 [0,1,0,0,0,1|1,1,0]=4 7022 B18R2.6153 CC(C)OCSc1nc2ccccc2cc1Br 62a_100000709892_100010072790 [0,1,0,0,0,1|1,1,0]=4 7023 B18R2.6153 CC(C)OCSc1nc2ccccc2cc1Br 62a_100010072790_100000709892 [0,1,0,0,0,1|1,1,0]=4 7024 B18R2.6153 CC(C)OCSc1nc2ccccc2cc1O 62a_100000709892_200000100762 [0,1,0,0,0,1|1,1,0]=4 7025 B18R2.6153 CC(C)SCCc1cc2ccccc2nc1Cl 62a_100000210206_100000066995 [0,1,0,0,0,1|2,0,0]=4 7026 B18R2.6153 CC(F)COCc1cc2ccccc2nc1Cl 34a_100015925927_100000189640 [0,1,0,0,0,1|2,0,0]=4 7027 B18R2.6153 CC(O)CCNc1cc2ccccc2cc1Br 34a_100009991566_100012276601 [0,1,0,0,0,1|2,0,0]=4 7028 B18R2.6153 CC(O)CCNc1cc2ccccc2cc1Br 7a_100009991566_100012276601 [0,1,0,0,0,1|2,0,0]=4 7029 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1Br 34a_100009817189_100012276601 [0,1,0,0,0,1|1,0,0]=3 7030 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1Br 7a_100009817189_100012276601 [0,1,0,0,0,1|1,0,0]=3 7031 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1N 34a_106744474703_100012276601 [0,1,0,0,0,1|1,0,0]=3 7032 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1N 7a_106744474703_100012276601 [0,1,0,0,0,1|1,0,0]=3 7033 B18R2.6153 CC(O)CCOc1cc2ccccc2nc1Cl 34a_200000100762_100012276601 [0,1,0,0,0,1|2,0,0]=4 7034 B18R2.6153 CC(O)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100012276601 [0,1,0,0,0,1|2,0,0]=4 7035 B18R2.6153 CC(O)CCOc1cc2ccccc2oc1=O 7a_100000061252_100012276601 [0,1,0,0,0,1|2,0,0]=4 7036 B18R2.6153 CC(O)CCOc1cc2cccnc2cc1Br 34a_200010153759_100012276601 [0,1,0,0,0,1|2,0,0]=4 7037 B18R2.6153 CC(O)CCOc1cc2cccnc2cc1Br 7a_200010153759_100012276601 [0,1,0,0,0,1|2,0,0]=4 7038 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Br 62a_100012276601_200010169544 [0,1,0,0,0,1|1,1,0]=4 7039 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Br 62a_200010169544_100012276601 [0,1,0,0,0,1|1,1,0]=4 7040 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Cl 62a_100010152806_100012276601 [0,1,0,0,0,1|1,1,0]=4 7041 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Cl 62a_100012276601_100010152806 [0,1,0,0,0,1|1,1,0]=4 7042 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1N 62a_100009991566_100012276601 [0,1,0,0,0,1|1,1,0]=4 7043 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1N 62a_100012276601_100009991566 [0,1,0,0,0,1|1,1,0]=4 7044 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1O 62a_100012276601_100009817189 [0,1,0,0,0,1|1,1,0]=4 7045 B18R2.6153 CC(O)COCc1cc2ccccc2nc1Cl 34a_100000754719_100011218427 [0,1,0,0,0,1|2,0,0]=4 7046 B18R2.6153 CC(O)COCc1cc2ccccc2nc1Cl 7a_100000754719_100011218427 [0,1,0,0,0,1|2,0,0]=4 7047 B18R2.6153 CN(C)CCNc1cc2ccccc2cc1Br 7a_100009991566_100000755713 [0,1,0,0,0,1|2,0,0]=4 7048 B18R2.6153 CN(C)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000755713 [0,1,0,0,0,1|1,0,0]=3 7049 B18R2.6153 CN(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000755713 [0,1,0,0,0,1|1,0,0]=3 7050 B18R2.6153 CN(C)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000755713 [0,1,0,0,0,1|2,0,0]=4 7051 B18R2.6153 CN(C)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000755713 [0,1,0,0,0,1|2,0,0]=4 7052 B18R2.6153 CN(C)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000755713 [0,1,0,0,0,1|2,0,0]=4 7053 B18R2.6153 CN(C)CCSc1cc2ccccc2cc1Br 62a_200010169544_100000755713 [0,1,0,0,0,1|1,1,0]=4 7054 B18R2.6153 CN(C)CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000755713 [0,1,0,0,0,1|1,1,0]=4 7055 B18R2.6153 CN(C)CCSc1cc2ccccc2cc1N 62a_100009991566_100000755713 [0,1,0,0,0,1|1,1,0]=4 7056 B18R2.6153 C[C@@H](Cl)COCc1cc2ccccc2nc1Cl 34a_100016084084_100000189640 [0,1,0,0,0,1|2,0,0]=4 7057 B18R2.6153 C[C@@H](N)COCc1cc2ccccc2nc1Cl 34a_100000737577_100000189640 [0,1,0,0,0,1|2,0,0]=4 7058 B18R2.6153 C[C@@H](O)COCc1cc2ccccc2nc1Cl 34a_100000754719_100009817552 [0,1,0,0,0,1|2,0,0]=4 7059 B18R2.6153 C[C@@H](O)COCc1cc2ccccc2nc1Cl 7a_100000754719_100009817552 [0,1,0,0,0,1|2,0,0]=4 7060 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)C 34a_100000091601_100000210312 [0,1,0,0,0,1|0,0,0]=2 7061 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)C 7a_100000091601_100000210626 [0,1,0,0,0,1|0,0,0]=2 7062 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)O 34a_100000091601_100012276601 [0,1,0,0,0,1|1,0,0]=3 7063 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)O 7a_100000091601_100012276601 [0,1,0,0,0,1|1,0,0]=3 7064 B18R2.6153 Cc1cc2ccccc2cc1OCCN(C)C 7a_100000091601_100000755713 [0,1,0,0,0,1|1,0,0]=3 7065 B18R2.6153 Cc1cc2ccccc2cc1OCOC(C)C 34a_100000091601_100000709892 [0,1,0,0,0,1|0,0,0]=2 7066 B18R2.6153 Cc1cc2ccccc2nc1C=CCC(C)C 271570a_100016259101_100000751756 [0,1,0,0,0,1|2,0,0]=4 7067 B18R2.6153 Cc1cc2ccccc2nc1NCCC(C)C 27a_100000210545_100000751756 [0,1,0,0,0,1|2,0,0]=4 7068 B18R2.6153 Cc1cc2ccccc2nc1SCCC(C)C 62a_100000210312_100000751756 [0,1,0,0,0,1|1,1,0]=4 7069 B18R2.6153 Cc1cc2ccccc2nc1SCOC(C)C 62a_100000709892_100000751756 [0,1,0,0,0,1|1,1,0]=4 7070 B18R2.6153 Cc1cc2ncccc2cc1C=CCC(C)C 271570a_100016259101_100010137429 [0,1,0,0,0,1|2,0,0]=4 7071 B18R2.6153 Cc1cc2ncccc2cc1SCCC(C)C 62a_100000210312_100010137429 [0,1,0,0,0,1|1,1,0]=4 7072 B18R2.6153 Cc1cc2ncccc2cc1SCCC(C)C 62a_100010137429_100000210312 [0,1,0,0,0,1|1,1,0]=4 7073 B18R2.6153 Cc1cc2ncccc2cc1SCOC(C)C 62a_100000709892_100010137429 [0,1,0,0,0,1|1,1,0]=4 7074 B18R2.6153 Cc1cc2ncccc2cc1SCOC(C)C 62a_100010137429_100000709892 [0,1,0,0,0,1|1,1,0]=4 7075 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)C 34a_200000079175_100000210312 [0,1,0,0,0,1|1,0,0]=3 7076 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)C 7a_200000079175_100000210626 [0,1,0,0,0,1|1,0,0]=3 7077 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)O 34a_200000079175_100012276601 [0,1,0,0,0,1|2,0,0]=4 7078 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)O 7a_200000079175_100012276601 [0,1,0,0,0,1|2,0,0]=4 7079 B18R2.6153 Cc1nc2ccccc2cc1OCCN(C)C 7a_200000079175_100000755713 [0,1,0,0,0,1|2,0,0]=4 7080 B18R2.6153 Cc1nc2ccccc2cc1OCOC(C)C 34a_200000079175_100000709892 [0,1,0,0,0,1|1,0,0]=3 7081 B18R2.9469 C#CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_200000035995 [0,1,0,0,0,1|1,0,1]=4 7082 B18R2.9469 C#CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_200000035995 [0,1,0,0,0,1|1,0,1]=4 7083 B18R2.9469 C=CC(C)COCc1cc2ccccc2cn1 34a_100011215527_100009869231 [0,1,0,0,0,1|1,0,1]=4 7084 B18R2.9469 C=CC(C)COCc1cc2ccccc2cn1 7a_100011215527_100009869231 [0,1,0,0,0,1|1,0,1]=4 7085 B18R2.9469 C=CC(C)COCc1ccc2ccccc2c1 34a_100011215527_100011216711 [0,1,0,0,0,1|0,0,1]=3 7086 B18R2.9469 C=CC(C)COCc1ccc2ccccc2c1 7a_100011215527_100011216711 [0,1,0,0,0,1|0,0,1]=3 7087 B18R2.9469 C=CC(C)COCc1ccc2ccccc2n1 34a_100011215527_100000737579 [0,1,0,0,0,1|1,0,1]=4 7088 B18R2.9469 C=CC(C)COCc1ccc2ccccc2n1 7a_100011215527_100000737579 [0,1,0,0,0,1|1,0,1]=4 7089 B18R2.9469 C=CC(C)COCc1ccc2cnccc2c1 34a_100011215527_100020605334 [0,1,0,0,0,1|1,0,1]=4 7090 B18R2.9469 C=CC(C)COCc1ccc2cnccc2c1 7a_100011215527_100020605334 [0,1,0,0,0,1|1,0,1]=4 7091 B18R2.9469 C=CC(C)COCc1ccc2ncccc2c1 34a_100011215527_100000703657 [0,1,0,0,0,1|1,0,1]=4 7092 B18R2.9469 C=CC(C)COCc1ccc2ncccc2c1 7a_100011215527_100000703657 [0,1,0,0,0,1|1,0,1]=4 7093 B18R2.9469 C=CC(O)COCc1ccc2ccccc2c1 34a_100011215330_100000730141 [0,1,0,0,0,1|1,0,1]=4 7094 B18R2.9469 C=CC(O)COCc1ccc2ccccc2c1 7a_100011215330_100000730141 [0,1,0,0,0,1|1,0,1]=4 7095 B18R2.9469 C=C[C@H](N)COCc1ccc2ccccc2c1 34a_100016989147_100011216711 [0,1,0,0,0,1|1,0,1]=4 7096 B18R2.9469 CC(C#N)NCCc1ccc2ccccc2c1 2230a_100000746582_100000184139 [0,1,0,0,0,1|1,0,1]=4 7097 B18R2.9469 CC(C#N)OCCc1ccc2ccccc2c1 7a_100000755654_100000703298 [0,1,0,0,0,1|1,0,1]=4 7098 B18R2.9469 CC(CN)COCc1cc2ccccc2cn1 34a_100000744482_100009869231 [0,1,0,0,0,1|1,0,0]=3 7099 B18R2.9469 CC(CN)COCc1ccc2ccccc2c1 34a_100000744482_100011216711 [0,1,0,0,0,1|0,0,0]=2 7100 B18R2.9469 CC(CN)COCc1ccc2ccccc2n1 34a_100000744482_100000737579 [0,1,0,0,0,1|1,0,0]=3 7101 B18R2.9469 CC(CN)COCc1ccc2cnccc2c1 34a_100000744482_100020605334 [0,1,0,0,0,1|1,0,0]=3 7102 B18R2.9469 CC(CN)COCc1ccc2ncccc2c1 34a_100000744482_100000703657 [0,1,0,0,0,1|1,0,0]=3 7103 B18R2.9469 CC(CN)COCc1ncc2ccccc2n1 34a_100000744482_100009868571 [0,1,0,0,0,1|2,0,0]=4 7104 B18R2.9469 CC(CO)CCNc1ccc2ccccc2n1 27a_106354213184_100011291633 [0,1,0,0,0,1|2,0,0]=4 7105 B18R2.9469 CC(CO)CNCc1cc2ccccc2cn1 207a_100000744482_100000059776 [0,1,0,0,0,1|2,0,0]=4 7106 B18R2.9469 CC(CO)CNCc1cc2ccccc2cn1 34a_100000744482_100009869231 [0,1,0,0,0,1|2,0,0]=4 7107 B18R2.9469 CC(CO)CNCc1ccc2ccccc2c1 207a_100000744482_100000211584 [0,1,0,0,0,1|1,0,0]=3 7108 B18R2.9469 CC(CO)CNCc1ccc2ccccc2c1 34a_100000744482_100011216711 [0,1,0,0,0,1|1,0,0]=3 7109 B18R2.9469 CC(CO)CNCc1ccc2ccccc2n1 207a_100000744482_100000759686 [0,1,0,0,0,1|2,0,0]=4 7110 B18R2.9469 CC(CO)CNCc1ccc2ccccc2n1 34a_100000744482_100000737579 [0,1,0,0,0,1|2,0,0]=4 7111 B18R2.9469 CC(CO)CNCc1ccc2cccnc2c1 207a_100000744482_100011784159 [0,1,0,0,0,1|2,0,0]=4 7112 B18R2.9469 CC(CO)CNCc1ccc2cnccc2c1 207a_100000744482_100000068276 [0,1,0,0,0,1|2,0,0]=4 7113 B18R2.9469 CC(CO)CNCc1ccc2cnccc2c1 34a_100000744482_100020605334 [0,1,0,0,0,1|2,0,0]=4 7114 B18R2.9469 CC(CO)CNCc1ccc2ncccc2c1 207a_100000744482_100000211315 [0,1,0,0,0,1|2,0,0]=4 7115 B18R2.9469 CC(CO)CNCc1ccc2ncccc2c1 34a_100000744482_100000703657 [0,1,0,0,0,1|2,0,0]=4 7116 B18R2.9469 CC(CO)CNCc1cnc2ccccc2c1 207a_100000744482_100000750898 [0,1,0,0,0,1|2,0,0]=4 7117 B18R2.9469 CC(CO)NCCc1ccc2ccccc2c1 2230a_100000746582_100012180447 [0,1,0,0,0,1|1,0,0]=3 7118 B18R2.9469 CC(CO)NCCc1ccc2ccccc2c1 34a_100000746582_100012180447 [0,1,0,0,0,1|1,0,0]=3 7119 B18R2.9469 CC(CO)OCCc1ccc2ccccc2c1 34a_100000755654_100012180447 [0,1,0,0,0,1|1,0,0]=3 7120 B18R2.9469 CC(CO)OCCc1ccc2ccccc2c1 7a_100000755654_100012180447 [0,1,0,0,0,1|1,0,0]=3 7121 B18R2.9469 CC(CO)OCCc1ccc2ccccc2n1 34a_100011996444_100012180447 [0,1,0,0,0,1|2,0,0]=4 7122 B18R2.9469 CCC(=O)COCc1ccc2ccccc2c1 34a_100000725409_100011216711 [0,1,0,0,0,1|1,0,1]=4 7123 B18R2.9469 CCC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000747405 [0,1,0,0,0,1|1,0,1]=4 7124 B18R2.9469 CCC(C)C=NNc1ccc2ccccc2c1 4a_100016987534_100000243153 [0,1,0,0,0,1|1,0,1]=4 7125 B18R2.9469 CCC(C)CCNc1ccc2ccccc2n1 27a_100020591266_100011291633 [0,1,0,0,0,1|2,0,0]=4 7126 B18R2.9469 CCC(C)CNCc1cc2ccccc2cn1 207a_100020588543_100000059776 [0,1,0,0,0,1|2,0,0]=4 7127 B18R2.9469 CCC(C)CNCc1cc2ccccc2cn1 2230a_100020588543_100009869231 [0,1,0,0,0,1|2,0,0]=4 7128 B18R2.9469 CCC(C)CNCc1cc2ccccc2cn1 270004a_100020588543_100000059776 [0,1,0,0,0,1|2,0,0]=4 7129 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 207a_100020588543_100000211584 [0,1,0,0,0,1|1,0,0]=3 7130 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000748023 [0,1,0,0,0,1|1,0,0]=3 7131 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 2230a_100020588543_100011216711 [0,1,0,0,0,1|1,0,0]=3 7132 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000243153 [0,1,0,0,0,1|1,0,0]=3 7133 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 270004a_100020588543_100000211584 [0,1,0,0,0,1|1,0,0]=3 7134 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000748023 [0,1,0,0,0,1|1,0,0]=3 7135 B18R2.9469 CCC(C)CNCc1ccc2ccccc2n1 207a_100020588543_100000759686 [0,1,0,0,0,1|2,0,0]=4 7136 B18R2.9469 CCC(C)CNCc1ccc2ccccc2n1 2230a_100020588543_100000737579 [0,1,0,0,0,1|2,0,0]=4 7137 B18R2.9469 CCC(C)CNCc1ccc2ccccc2n1 270004a_100020588543_100000759686 [0,1,0,0,0,1|2,0,0]=4 7138 B18R2.9469 CCC(C)CNCc1ccc2cccnc2c1 207a_100020588543_100011784159 [0,1,0,0,0,1|2,0,0]=4 7139 B18R2.9469 CCC(C)CNCc1ccc2cccnc2c1 270004a_100020588543_100011784159 [0,1,0,0,0,1|2,0,0]=4 7140 B18R2.9469 CCC(C)CNCc1ccc2cnccc2c1 207a_100020588543_100000068276 [0,1,0,0,0,1|2,0,0]=4 7141 B18R2.9469 CCC(C)CNCc1ccc2cnccc2c1 2230a_100020588543_100020605334 [0,1,0,0,0,1|2,0,0]=4 7142 B18R2.9469 CCC(C)CNCc1ccc2cnccc2c1 270004a_100020588543_100000068276 [0,1,0,0,0,1|2,0,0]=4 7143 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 207a_100020588543_100000211315 [0,1,0,0,0,1|2,0,0]=4 7144 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 2230a_100020588543_100000703657 [0,1,0,0,0,1|2,0,0]=4 7145 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 270004a_100000238500_100000243153 [0,1,0,0,0,1|2,0,0]=4 7146 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 270004a_100020588543_100000211315 [0,1,0,0,0,1|2,0,0]=4 7147 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 34a_100000238500_100000748023 [0,1,0,0,0,1|2,0,0]=4 7148 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 207a_100020588543_100000750898 [0,1,0,0,0,1|2,0,0]=4 7149 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 270004a_100000742225_100000243153 [0,1,0,0,0,1|2,0,0]=4 7150 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 270004a_100020588543_100000750898 [0,1,0,0,0,1|2,0,0]=4 7151 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 34a_100000742225_100000748023 [0,1,0,0,0,1|2,0,0]=4 7152 B18R2.9469 CCC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000748023 [0,1,0,0,0,1|0,0,0]=2 7153 B18R2.9469 CCC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000748023 [0,1,0,0,0,1|0,0,0]=2 7154 B18R2.9469 CCC(C)COCc1ccc2ncccc2c1 34a_100011315636_100000748023 [0,1,0,0,0,1|1,0,0]=3 7155 B18R2.9469 CCC(C)COCc1cnc2ccccc2c1 34a_100011258773_100000748023 [0,1,0,0,0,1|1,0,0]=3 7156 B18R2.9469 CCC(C)CSCc1cc2ccccc2cn1 62a_100000748023_100009869231 [0,1,0,0,0,1|1,1,0]=4 7157 B18R2.9469 CCC(C)CSCc1cc2ccccc2cn1 62a_100009869231_100000748023 [0,1,0,0,0,1|1,1,0]=4 7158 B18R2.9469 CCC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000748023 [0,1,0,0,0,1|1,1,0]=4 7159 B18R2.9469 CCC(C)CSCc1ccc2ccccc2n1 62a_100000748023_100000737579 [0,1,0,0,0,1|1,1,0]=4 7160 B18R2.9469 CCC(C)CSCc1ccc2cnccc2c1 62a_100000748023_100020605334 [0,1,0,0,0,1|1,1,0]=4 7161 B18R2.9469 CCC(C)CSCc1ccc2cnccc2c1 62a_100020605334_100000748023 [0,1,0,0,0,1|1,1,0]=4 7162 B18R2.9469 CCC(C)CSCc1ccc2ncccc2c1 62a_100000703657_100000748023 [0,1,0,0,0,1|1,1,0]=4 7163 B18R2.9469 CCC(C)CSCc1ccc2ncccc2c1 62a_100000748023_100000703657 [0,1,0,0,0,1|1,1,0]=4 7164 B18R2.9469 CCC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000758301 [0,1,0,0,0,1|1,0,0]=3 7165 B18R2.9469 CCC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100011215416 [0,1,0,0,0,1|1,0,0]=3 7166 B18R2.9469 CCC(C)NN=Cc1ccc2ccccc2c1 4a_100000718999_100000211584 [0,1,0,0,0,1|2,0,0]=4 7167 B18R2.9469 CCC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100011215416 [0,1,0,0,0,1|1,0,0]=3 7168 B18R2.9469 CCC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000758301 [0,1,0,0,0,1|1,0,0]=3 7169 B18R2.9469 CCC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100011215416 [0,1,0,0,0,1|2,0,0]=4 7170 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 207a_100011218483_100000211584 [0,1,0,0,0,1|2,0,0]=4 7171 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 2230a_100000739491_100011218378 [0,1,0,0,0,1|2,0,0]=4 7172 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 2230a_100011218483_100011216711 [0,1,0,0,0,1|2,0,0]=4 7173 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 270004a_100011218483_100000211584 [0,1,0,0,0,1|2,0,0]=4 7174 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 34a_100000739491_100011218378 [0,1,0,0,0,1|2,0,0]=4 7175 B18R2.9469 CCC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011218378 [0,1,0,0,0,1|1,0,0]=3 7176 B18R2.9469 CCC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011218378 [0,1,0,0,0,1|1,0,0]=3 7177 B18R2.9469 CCC(O)COCc1ccc2ncccc2c1 34a_100011315636_100011218378 [0,1,0,0,0,1|2,0,0]=4 7178 B18R2.9469 CCC(O)COCc1cnc2ccccc2c1 34a_100011258773_100011218378 [0,1,0,0,0,1|2,0,0]=4 7179 B18R2.9469 CCC(O)CSCc1ccc2ccccc2c1 62a_100011216711_100011218378 [0,1,0,0,0,1|1,1,0]=4 7180 B18R2.9469 CCC(O)CSCc1ccc2ccccc2c1 62a_100011218378_100011216711 [0,1,0,0,0,1|1,1,0]=4 7181 B18R2.9469 CC[C@H](C)CNCc1ccc2ccccc2c1 2230a_100000739491_100009816398 [0,1,0,0,0,1|1,0,0]=3 7182 B18R2.9469 CC[C@H](C)CNCc1ccc2ccccc2c1 34a_100000739491_100009816398 [0,1,0,0,0,1|1,0,0]=3 7183 B18R2.9469 CC[C@H](C)CNCc1ccc2ncccc2c1 34a_100000238500_100009816398 [0,1,0,0,0,1|2,0,0]=4 7184 B18R2.9469 CC[C@H](C)CNCc1cnc2ccccc2c1 34a_100000742225_100009816398 [0,1,0,0,0,1|2,0,0]=4 7185 B18R2.9469 CC[C@H](C)COCc1cc2ccccc2cn1 7a_100009816381_100009869231 [0,1,0,0,0,1|1,0,0]=3 7186 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2c1 34a_100011215330_100009816398 [0,1,0,0,0,1|0,0,0]=2 7187 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2c1 7a_100009816381_100011216711 [0,1,0,0,0,1|0,0,0]=2 7188 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2c1 7a_100011215330_100009816398 [0,1,0,0,0,1|0,0,0]=2 7189 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2n1 7a_100009816381_100000737579 [0,1,0,0,0,1|1,0,0]=3 7190 B18R2.9469 CC[C@H](C)COCc1ccc2cnccc2c1 7a_100009816381_100020605334 [0,1,0,0,0,1|1,0,0]=3 7191 B18R2.9469 CC[C@H](C)COCc1ccc2ncccc2c1 34a_100011315636_100009816398 [0,1,0,0,0,1|1,0,0]=3 7192 B18R2.9469 CC[C@H](C)COCc1ccc2ncccc2c1 7a_100009816381_100000703657 [0,1,0,0,0,1|1,0,0]=3 7193 B18R2.9469 CC[C@H](C)COCc1ccc2nccnc2c1 7a_100009816381_200011762199 [0,1,0,0,0,1|2,0,0]=4 7194 B18R2.9469 CC[C@H](C)COCc1cnc2ccccc2c1 34a_100011258773_100009816398 [0,1,0,0,0,1|1,0,0]=3 7195 B18R2.9469 CC[C@H](C)COCc1cnc2ccccc2n1 7a_100009816381_200000751123 [0,1,0,0,0,1|2,0,0]=4 7196 B18R2.9469 CC[C@H](C)COCc1ncc2ccccc2n1 7a_100009816381_100009868571 [0,1,0,0,0,1|2,0,0]=4 7197 B18R2.9469 CC[C@H](C)CSCc1cc2ccccc2cn1 62a_100009816398_100009869231 [0,1,0,0,0,1|1,1,0]=4 7198 B18R2.9469 CC[C@H](C)CSCc1cc2ccccc2cn1 62a_100009869231_100009816398 [0,1,0,0,0,1|1,1,0]=4 7199 B18R2.9469 CC[C@H](C)CSCc1ccc2ccccc2n1 62a_100000737579_100009816398 [0,1,0,0,0,1|1,1,0]=4 7200 B18R2.9469 CC[C@H](C)CSCc1ccc2ccccc2n1 62a_100009816398_100000737579 [0,1,0,0,0,1|1,1,0]=4 7201 B18R2.9469 CC[C@H](C)CSCc1ccc2cnccc2c1 62a_100009816398_100020605334 [0,1,0,0,0,1|1,1,0]=4 7202 B18R2.9469 CC[C@H](C)CSCc1ccc2cnccc2c1 62a_100020605334_100009816398 [0,1,0,0,0,1|1,1,0]=4 7203 B18R2.9469 CC[C@H](C)CSCc1ccc2ncccc2c1 62a_100000703657_100009816398 [0,1,0,0,0,1|1,1,0]=4 7204 B18R2.9469 CC[C@H](C)CSCc1ccc2ncccc2c1 62a_100009816398_100000703657 [0,1,0,0,0,1|1,1,0]=4 7205 B18R2.9469 CNC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100012179268 [0,1,0,0,0,1|1,0,1]=4 7206 B18R2.9469 CNC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000737683 [0,1,0,0,0,1|1,0,1]=4 7207 B18R2.9469 CNC(=O)COCc1ccc2ccccc2c1 34a_100000750040_100011216711 [0,1,0,0,0,1|1,0,1]=4 7208 B18R2.9469 CNC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000183359 [0,1,0,0,0,1|1,0,1]=4 7209 B18R2.9469 CNC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000183359 [0,1,0,0,0,1|1,0,1]=4 7210 B18R2.9469 COC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000742370 [0,1,0,0,0,1|1,0,1]=4 7211 B18R2.9469 COC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000204255 [0,1,0,0,0,1|1,0,1]=4 7212 B18R2.9469 COC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000747449 [0,1,0,0,0,1|1,0,1]=4 7213 B18R2.9469 COC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000747449 [0,1,0,0,0,1|1,0,1]=4 7214 B18R2.9469 COC(C)COCc1cc2ccccc2cn1 34a_100000690652_100009869231 [0,1,0,0,0,1|1,0,0]=3 7215 B18R2.9469 COC(C)COCc1ccc2ccccc2c1 34a_100000690652_100011216711 [0,1,0,0,0,1|0,0,0]=2 7216 B18R2.9469 COC(C)COCc1ccc2ccccc2n1 34a_100000690652_100000737579 [0,1,0,0,0,1|1,0,0]=3 7217 B18R2.9469 COC(C)COCc1ccc2cnccc2c1 34a_100000690652_100020605334 [0,1,0,0,0,1|1,0,0]=3 7218 B18R2.9469 COC(C)COCc1ccc2ncccc2c1 34a_100000690652_100000703657 [0,1,0,0,0,1|1,0,0]=3 7219 B18R2.9469 COC(C)COCc1ncc2ccccc2n1 34a_100000690652_100009868571 [0,1,0,0,0,1|2,0,0]=4 7220 B18R2.9469 CO[C@H](C)CNCc1cc2ccccc2cn1 207a_100020591295_100000059776 [0,1,0,0,0,1|2,0,0]=4 7221 B18R2.9469 CO[C@H](C)CNCc1cc2ccccc2cn1 2230a_100020591295_100009869231 [0,1,0,0,0,1|2,0,0]=4 7222 B18R2.9469 CO[C@H](C)CNCc1cc2ccccc2cn1 270004a_100020591295_100000059776 [0,1,0,0,0,1|2,0,0]=4 7223 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2c1 207a_100020591295_100000211584 [0,1,0,0,0,1|1,0,0]=3 7224 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2c1 2230a_100020591295_100011216711 [0,1,0,0,0,1|1,0,0]=3 7225 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2c1 270004a_100020591295_100000211584 [0,1,0,0,0,1|1,0,0]=3 7226 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2n1 207a_100020591295_100000759686 [0,1,0,0,0,1|2,0,0]=4 7227 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2n1 2230a_100020591295_100000737579 [0,1,0,0,0,1|2,0,0]=4 7228 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2n1 270004a_100020591295_100000759686 [0,1,0,0,0,1|2,0,0]=4 7229 B18R2.9469 CO[C@H](C)CNCc1ccc2cccnc2c1 207a_100020591295_100011784159 [0,1,0,0,0,1|2,0,0]=4 7230 B18R2.9469 CO[C@H](C)CNCc1ccc2cccnc2c1 270004a_100020591295_100011784159 [0,1,0,0,0,1|2,0,0]=4 7231 B18R2.9469 CO[C@H](C)CNCc1ccc2cnccc2c1 207a_100020591295_100000068276 [0,1,0,0,0,1|2,0,0]=4 7232 B18R2.9469 CO[C@H](C)CNCc1ccc2cnccc2c1 2230a_100020591295_100020605334 [0,1,0,0,0,1|2,0,0]=4 7233 B18R2.9469 CO[C@H](C)CNCc1ccc2cnccc2c1 270004a_100020591295_100000068276 [0,1,0,0,0,1|2,0,0]=4 7234 B18R2.9469 CO[C@H](C)CNCc1ccc2ncccc2c1 207a_100020591295_100000211315 [0,1,0,0,0,1|2,0,0]=4 7235 B18R2.9469 CO[C@H](C)CNCc1ccc2ncccc2c1 2230a_100020591295_100000703657 [0,1,0,0,0,1|2,0,0]=4 7236 B18R2.9469 CO[C@H](C)CNCc1ccc2ncccc2c1 270004a_100020591295_100000211315 [0,1,0,0,0,1|2,0,0]=4 7237 B18R2.9469 CO[C@H](C)CNCc1cnc2ccccc2c1 207a_100020591295_100000750898 [0,1,0,0,0,1|2,0,0]=4 7238 B18R2.9469 CO[C@H](C)CNCc1cnc2ccccc2c1 270004a_100020591295_100000750898 [0,1,0,0,0,1|2,0,0]=4 7239 B18R2.9469 C[C@@H](CO)CNCc1ccc2ccccc2c1 2230a_100000739491_100000059175 [0,1,0,0,0,1|1,0,0]=3 7240 B18R2.9469 C[C@@H](CO)CNCc1ccc2ccccc2c1 34a_100000739491_100000059175 [0,1,0,0,0,1|1,0,0]=3 7241 B18R2.9469 C[C@@H](CO)CNCc1ccc2ncccc2c1 34a_100000238500_100000059175 [0,1,0,0,0,1|2,0,0]=4 7242 B18R2.9469 C[C@@H](CO)CNCc1cnc2ccccc2c1 34a_100000742225_100000059175 [0,1,0,0,0,1|2,0,0]=4 7243 B18R2.9469 C[C@@H](CO)COCc1ccc2ccccc2c1 34a_100011215330_100000059175 [0,1,0,0,0,1|0,0,0]=2 7244 B18R2.9469 C[C@@H](CO)COCc1ccc2ccccc2c1 7a_100011215330_100000059175 [0,1,0,0,0,1|0,0,0]=2 7245 B18R2.9469 C[C@@H](CO)COCc1ccc2ncccc2c1 34a_100011315636_100000059175 [0,1,0,0,0,1|1,0,0]=3 7246 B18R2.9469 C[C@@H](CO)COCc1cnc2ccccc2c1 34a_100011258773_100000059175 [0,1,0,0,0,1|1,0,0]=3 7247 B18R2.9469 C[C@@H](CO)CSCc1cc2ccccc2cn1 62a_100000059175_100009869231 [0,1,0,0,0,1|1,1,0]=4 7248 B18R2.9469 C[C@@H](CO)CSCc1cc2ccccc2cn1 62a_100009869231_100000059175 [0,1,0,0,0,1|1,1,0]=4 7249 B18R2.9469 C[C@@H](CO)CSCc1ccc2ccccc2c1 62a_100000059175_100011216711 [0,1,0,0,0,1|0,1,0]=3 7250 B18R2.9469 C[C@@H](CO)CSCc1ccc2ccccc2c1 62a_100011216711_100000059175 [0,1,0,0,0,1|0,1,0]=3 7251 B18R2.9469 C[C@@H](CO)CSCc1ccc2ccccc2n1 62a_100000059175_100000737579 [0,1,0,0,0,1|1,1,0]=4 7252 B18R2.9469 C[C@@H](CO)CSCc1ccc2ccccc2n1 62a_100000737579_100000059175 [0,1,0,0,0,1|1,1,0]=4 7253 B18R2.9469 C[C@@H](CO)CSCc1ccc2cnccc2c1 62a_100000059175_100020605334 [0,1,0,0,0,1|1,1,0]=4 7254 B18R2.9469 C[C@@H](CO)CSCc1ccc2cnccc2c1 62a_100020605334_100000059175 [0,1,0,0,0,1|1,1,0]=4 7255 B18R2.9469 C[C@@H](CO)CSCc1ccc2ncccc2c1 62a_100000059175_100000703657 [0,1,0,0,0,1|1,1,0]=4 7256 B18R2.9469 C[C@@H](CO)CSCc1ccc2ncccc2c1 62a_100000703657_100000059175 [0,1,0,0,0,1|1,1,0]=4 7257 B18R2.9469 ClCC(Cl)COCc1cc2ccccc2cn1 34a_100000033668_100009869231 [0,1,0,0,0,1|2,0,0]=4 7258 B18R2.9469 ClCC(Cl)COCc1ccc2ccccc2c1 34a_100000033668_100011216711 [0,1,0,0,0,1|1,0,0]=3 7259 B18R2.9469 ClCC(Cl)COCc1ccc2ccccc2n1 34a_100000033668_100000737579 [0,1,0,0,0,1|2,0,0]=4 7260 B18R2.9469 ClCC(Cl)COCc1ccc2cnccc2c1 34a_100000033668_100020605334 [0,1,0,0,0,1|2,0,0]=4 7261 B18R2.9469 ClCC(Cl)COCc1ccc2ncccc2c1 34a_100000033668_100000703657 [0,1,0,0,0,1|2,0,0]=4 7262 B18R2.9469 NC[C@@H](F)COCc1cc2ccccc2cn1 34a_100015665980_100009869231 [0,1,0,0,0,1|2,0,0]=4 7263 B18R2.9469 NC[C@@H](F)COCc1ccc2ccccc2c1 34a_100015665980_100011216711 [0,1,0,0,0,1|1,0,0]=3 7264 B18R2.9469 NC[C@@H](F)COCc1ccc2ccccc2n1 34a_100015665980_100000737579 [0,1,0,0,0,1|2,0,0]=4 7265 B18R2.9469 NC[C@@H](F)COCc1ccc2cnccc2c1 34a_100015665980_100020605334 [0,1,0,0,0,1|2,0,0]=4 7266 B18R2.9469 NC[C@@H](F)COCc1ccc2ncccc2c1 34a_100015665980_100000703657 [0,1,0,0,0,1|2,0,0]=4 7267 B18R2.9469 OCC(O)CNCc1ccc2ccccc2c1 2230a_100000739491_100011219619 [0,1,0,0,0,1|2,0,0]=4 7268 B18R2.9469 OCC(O)CNCc1ccc2ccccc2c1 34a_100000739491_100011219619 [0,1,0,0,0,1|2,0,0]=4 7269 B18R2.9469 OCC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011219619 [0,1,0,0,0,1|1,0,0]=3 7270 B18R2.9469 OCC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011219619 [0,1,0,0,0,1|1,0,0]=3 7271 B18R2.9469 OCC(O)COCc1ccc2ncccc2c1 34a_100011315636_100011219619 [0,1,0,0,0,1|2,0,0]=4 7272 B18R2.9469 OCC(O)COCc1cnc2ccccc2c1 34a_100011258773_100011219619 [0,1,0,0,0,1|2,0,0]=4 7273 B18R2.9469 OCC(O)CSCc1ccc2ccccc2c1 62a_100011216711_100011219619 [0,1,0,0,0,1|1,1,0]=4 7274 B18R2.9469 OCC(O)CSCc1ccc2ccccc2c1 62a_100011219619_100011216711 [0,1,0,0,0,1|1,1,0]=4 7275 B18R2.9469 OC[C@@H](O)CNCc1ccc2ccccc2c1 207a_100020644852_100000211584 [0,1,0,0,0,1|2,0,0]=4 7276 B18R2.9469 OC[C@@H](O)CNCc1ccc2ccccc2c1 2230a_100020644852_100011216711 [0,1,0,0,0,1|2,0,0]=4 7277 B18R2.9469 OC[C@H](F)CNCc1ccc2ccccc2c1 207a_100015665980_100000211584 [0,1,0,0,0,1|2,0,0]=4 7278 B18R2.9469 OC[C@H](F)CNCc1ccc2ccccc2c1 270004a_100015665980_100000211584 [0,1,0,0,0,1|2,0,0]=4 7279 B18R2.9469 OC[C@H](F)CNCc1ccc2ccccc2c1 34a_100015665980_100011216711 [0,1,0,0,0,1|2,0,0]=4 7280 B18R2.9469 OC[C@H](O)CNCc1ccc2ccccc2c1 2230a_100000739491_100009815848 [0,1,0,0,0,1|2,0,0]=4 7281 B18R2.9469 OC[C@H](O)CNCc1ccc2ccccc2c1 34a_100000739491_100009815848 [0,1,0,0,0,1|2,0,0]=4 7282 B18R2.9469 OC[C@H](O)COCc1ccc2ccccc2c1 34a_100011215330_100009815848 [0,1,0,0,0,1|1,0,0]=3 7283 B18R2.9469 OC[C@H](O)COCc1ccc2ccccc2c1 7a_100011215330_100009815848 [0,1,0,0,0,1|1,0,0]=3 7284 B18R2.9469 OC[C@H](O)COCc1ccc2ncccc2c1 34a_100011315636_100009815848 [0,1,0,0,0,1|2,0,0]=4 7285 B18R2.9469 OC[C@H](O)COCc1cnc2ccccc2c1 34a_100011258773_100009815848 [0,1,0,0,0,1|2,0,0]=4 7286 B18R2.9469 OC[C@H](O)CSCc1ccc2ccccc2c1 62a_100009815848_100011216711 [0,1,0,0,0,1|1,1,0]=4 7287 B18R2.9469 OC[C@H](O)CSCc1ccc2ccccc2c1 62a_100011216711_100009815848 [0,1,0,0,0,1|1,1,0]=4 7288 B18R2.9469 O[C@@H](CF)CNCc1ccc2ccccc2c1 2230a_100000739491_100015614560 [0,1,0,0,0,1|2,0,0]=4 7289 B18R2.9469 O[C@@H](CF)CNCc1ccc2ccccc2c1 34a_100000739491_100015614560 [0,1,0,0,0,1|2,0,0]=4 7290 B18R2.9469 O[C@@H](CF)COCc1ccc2ccccc2c1 34a_100011215330_100015614560 [0,1,0,0,0,1|1,0,0]=3 7291 B18R2.9469 O[C@@H](CF)COCc1ccc2ccccc2c1 7a_100011215330_100015614560 [0,1,0,0,0,1|1,0,0]=3 7292 B18R2.9469 O[C@@H](CF)COCc1ccc2ncccc2c1 34a_100011315636_100015614560 [0,1,0,0,0,1|2,0,0]=4 7293 B18R2.9469 O[C@@H](CF)COCc1cnc2ccccc2c1 34a_100011258773_100015614560 [0,1,0,0,0,1|2,0,0]=4 7294 B18R2.9469 O[C@@H](CF)CSCc1ccc2ccccc2c1 62a_100011216711_100015614560 [0,1,0,0,0,1|1,1,0]=4 7295 B18R2.9469 O[C@@H](CF)CSCc1ccc2ccccc2c1 62a_100015614560_100011216711 [0,1,0,0,0,1|1,1,0]=4 7296 B18R2.12980 CC(=NNc1ccc2ccccc2c1)C(C)C 4a_100016987534_100000211110 [0,1,0,0,0,1|1,0,1]=4 7297 B18R2.12980 CC(=O)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100011261029 [0,1,0,0,0,1|1,0,1]=4 7298 B18R2.12980 CC(=O)C(C)OCc1ccc2ccccc2c1 34a_100000212229_100011216711 [0,1,0,0,0,1|1,0,1]=4 7299 B18R2.12980 CC(=O)C(C)OCc1ccc2ccccc2c1 7a_100011215330_100000179758 [0,1,0,0,0,1|1,0,1]=4 7300 B18R2.12980 CC(C)C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_100000210206 [0,1,0,0,0,1|1,0,0]=3 7301 B18R2.12980 CC(C)C(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000753385 [0,1,0,0,0,1|1,0,0]=3 7302 B18R2.12980 CC(C)C(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000753385 [0,1,0,0,0,1|1,0,0]=3 7303 B18R2.12980 CC(C)C(=O)CNc1ccc2cccnc2c1 34a_100102887122_100000753385 [0,1,0,0,0,1|2,0,0]=4 7304 B18R2.12980 CC(C)C(=O)CNc1ccc2cnccc2c1 34a_100000039641_100000753385 [0,1,0,0,0,1|2,0,0]=4 7305 B18R2.12980 CC(C)C(=O)CNc1ccc2ncccc2c1 34a_100011198106_100000753385 [0,1,0,0,0,1|2,0,0]=4 7306 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210206 [0,1,0,0,0,1|0,0,0]=2 7307 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100000753385 [0,1,0,0,0,1|0,0,0]=2 7308 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 7a_100000185828_100000753385 [0,1,0,0,0,1|0,0,0]=2 7309 B18R2.12980 CC(C)C(=O)COc1ccc2cccnc2c1 34a_100011216045_100000753385 [0,1,0,0,0,1|1,0,0]=3 7310 B18R2.12980 CC(C)C(=O)COc1ccc2ccncc2c1 7a_100000752006_100000753385 [0,1,0,0,0,1|1,0,0]=3 7311 B18R2.12980 CC(C)C(=O)COc1ccc2cnccc2c1 34a_100000046372_100000753385 [0,1,0,0,0,1|1,0,0]=3 7312 B18R2.12980 CC(C)C(=O)COc1ccc2cnccc2c1 7a_100000046372_100000753385 [0,1,0,0,0,1|1,0,0]=3 7313 B18R2.12980 CC(C)C(=O)COc1ccc2ncccc2c1 34a_100011215586_100000753385 [0,1,0,0,0,1|1,0,0]=3 7314 B18R2.12980 CC(C)C(=O)COc1ccc2ncccc2c1 7a_100011215586_100000753385 [0,1,0,0,0,1|1,0,0]=3 7315 B18R2.12980 CC(C)C(=O)COc1ccc2nccnc2c1 34a_100000694412_100000753385 [0,1,0,0,0,1|2,0,0]=4 7316 B18R2.12980 CC(C)C(=O)COc1cnc2ccccc2c1 34a_100011934006_100000753385 [0,1,0,0,0,1|1,0,0]=3 7317 B18R2.12980 CC(C)C(=O)COc1cnc2ccccc2c1 7a_100011934006_100000753385 [0,1,0,0,0,1|1,0,0]=3 7318 B18R2.12980 CC(C)C(=O)CSc1cc2ccccc2cn1 62a_100000753385_100000047361 [0,1,0,0,0,1|1,1,0]=4 7319 B18R2.12980 CC(C)C(=O)CSc1cc2ccccc2cn1 62a_100009816522_100000753385 [0,1,0,0,0,1|1,1,0]=4 7320 B18R2.12980 CC(C)C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_100000210206 [0,1,0,0,0,1|0,1,0]=3 7321 B18R2.12980 CC(C)C(=O)CSc1ccc2ccccc2c1 62a_100000753385_100000233703 [0,1,0,0,0,1|0,1,0]=3 7322 B18R2.12980 CC(C)C(=O)CSc1ccc2ccccc2n1 62a_100000753385_100011291633 [0,1,0,0,0,1|1,1,0]=4 7323 B18R2.12980 CC(C)C(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000753385 [0,1,0,0,0,1|1,1,0]=4 7324 B18R2.12980 CC(C)C(=O)CSc1ccc2cccnc2c1 62a_100000753385_100009816655 [0,1,0,0,0,1|1,1,0]=4 7325 B18R2.12980 CC(C)C(=O)CSc1ccc2ccncc2c1 62a_100000686496_100000753385 [0,1,0,0,0,1|1,1,0]=4 7326 B18R2.12980 CC(C)C(=O)CSc1ccc2ccncc2c1 62a_100000753385_100000686496 [0,1,0,0,0,1|1,1,0]=4 7327 B18R2.12980 CC(C)C(=O)CSc1ccc2cnccc2c1 62a_100000753385_100009816743 [0,1,0,0,0,1|1,1,0]=4 7328 B18R2.12980 CC(C)C(=O)CSc1ccc2cnccc2c1 62a_100009816743_100000753385 [0,1,0,0,0,1|1,1,0]=4 7329 B18R2.12980 CC(C)C(=O)CSc1ccc2ncccc2c1 62a_100000753385_100011215947 [0,1,0,0,0,1|1,1,0]=4 7330 B18R2.12980 CC(C)C(=O)CSc1ccc2ncccc2c1 62a_100011215947_100000753385 [0,1,0,0,0,1|1,1,0]=4 7331 B18R2.12980 CC(C)C(=O)CSc1cnc2ccccc2c1 62a_100000753385_100000737414 [0,1,0,0,0,1|1,1,0]=4 7332 B18R2.12980 CC(C)C(=O)NCc1ccc2ccccc2c1 11a_100000739491_100000210198 [0,1,0,0,0,1|1,0,1]=4 7333 B18R2.12980 CC(C)C(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100000210198 [0,1,0,0,0,1|1,0,1]=4 7334 B18R2.12980 CC(C)C(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100000210198 [0,1,0,0,0,1|1,0,1]=4 7335 B18R2.12980 CC(C)C(=O)NCc1ccc2ccccc2c1 527a_100000739491_100000210198 [0,1,0,0,0,1|1,0,1]=4 7336 B18R2.12980 CC(C)C(=O)NNc1ccc2ccccc2c1 22a_100016987534_100000210198 [0,1,0,0,0,1|1,0,1]=4 7337 B18R2.12980 CC(C)C(C)NCc1cc2ccccc2cn1 207a_100000211541_100000059776 [0,1,0,0,0,1|2,0,0]=4 7338 B18R2.12980 CC(C)C(C)NCc1cc2ccccc2cn1 2230a_100000211541_100009869231 [0,1,0,0,0,1|2,0,0]=4 7339 B18R2.12980 CC(C)C(C)NCc1cc2ccccc2cn1 270004a_100000211541_100000059776 [0,1,0,0,0,1|2,0,0]=4 7340 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2c1 207a_100000211541_100000211584 [0,1,0,0,0,1|1,0,0]=3 7341 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2c1 2230a_100000211541_100011216711 [0,1,0,0,0,1|1,0,0]=3 7342 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2c1 270004a_100000211541_100000211584 [0,1,0,0,0,1|1,0,0]=3 7343 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2n1 207a_100000211541_100000759686 [0,1,0,0,0,1|2,0,0]=4 7344 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2n1 2230a_100000211541_100000737579 [0,1,0,0,0,1|2,0,0]=4 7345 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2n1 270004a_100000211541_100000759686 [0,1,0,0,0,1|2,0,0]=4 7346 B18R2.12980 CC(C)C(C)NCc1ccc2cccnc2c1 207a_100000211541_100011784159 [0,1,0,0,0,1|2,0,0]=4 7347 B18R2.12980 CC(C)C(C)NCc1ccc2cccnc2c1 270004a_100000211541_100011784159 [0,1,0,0,0,1|2,0,0]=4 7348 B18R2.12980 CC(C)C(C)NCc1ccc2cnccc2c1 207a_100000211541_100000068276 [0,1,0,0,0,1|2,0,0]=4 7349 B18R2.12980 CC(C)C(C)NCc1ccc2cnccc2c1 2230a_100000211541_100020605334 [0,1,0,0,0,1|2,0,0]=4 7350 B18R2.12980 CC(C)C(C)NCc1ccc2cnccc2c1 270004a_100000211541_100000068276 [0,1,0,0,0,1|2,0,0]=4 7351 B18R2.12980 CC(C)C(C)NCc1ccc2ncccc2c1 207a_100000211541_100000211315 [0,1,0,0,0,1|2,0,0]=4 7352 B18R2.12980 CC(C)C(C)NCc1ccc2ncccc2c1 2230a_100000211541_100000703657 [0,1,0,0,0,1|2,0,0]=4 7353 B18R2.12980 CC(C)C(C)NCc1ccc2ncccc2c1 270004a_100000211541_100000211315 [0,1,0,0,0,1|2,0,0]=4 7354 B18R2.12980 CC(C)C(C)NCc1cnc2ccccc2c1 207a_100000211541_100000750898 [0,1,0,0,0,1|2,0,0]=4 7355 B18R2.12980 CC(C)C(C)NCc1cnc2ccccc2c1 270004a_100000211541_100000750898 [0,1,0,0,0,1|2,0,0]=4 7356 B18R2.12980 CC(C)C(C)OCc1cc2ccccc2cn1 7a_100000748068_100009869231 [0,1,0,0,0,1|1,0,0]=3 7357 B18R2.12980 CC(C)C(C)OCc1ccc2ccccc2c1 7a_100000748068_100011216711 [0,1,0,0,0,1|0,0,0]=2 7358 B18R2.12980 CC(C)C(C)OCc1ccc2ccccc2n1 7a_100000748068_100000737579 [0,1,0,0,0,1|1,0,0]=3 7359 B18R2.12980 CC(C)C(C)OCc1ccc2cnccc2c1 7a_100000748068_100020605334 [0,1,0,0,0,1|1,0,0]=3 7360 B18R2.12980 CC(C)C(C)OCc1ccc2ncccc2c1 7a_100000748068_100000703657 [0,1,0,0,0,1|1,0,0]=3 7361 B18R2.12980 CC(C)C(C)OCc1ccc2nccnc2c1 7a_100000748068_200011762199 [0,1,0,0,0,1|2,0,0]=4 7362 B18R2.12980 CC(C)C(C)OCc1cnc2ccccc2n1 7a_100000748068_200000751123 [0,1,0,0,0,1|2,0,0]=4 7363 B18R2.12980 CC(C)C(C)OCc1ncc2ccccc2n1 7a_100000748068_100009868571 [0,1,0,0,0,1|2,0,0]=4 7364 B18R2.12980 CC(C)C(O)CNc1ccc2ccccc2n1 27a_100000759067_100011291633 [0,1,0,0,0,1|2,0,0]=4 7365 B18R2.12980 CN(C)C(=O)CCc1ccc2ccccc2c1 11a_100102631434_100000743016 [0,1,0,0,0,1|2,0,0]=4 7366 B18R2.12980 CN(C)C(=O)CCc1ccc2ccccc2c1 1626a_100102631434_100000743016 [0,1,0,0,0,1|2,0,0]=4 7367 B18R2.12980 CN(C)C(=O)CCc1ccc2ccccc2c1 240690a_100102631434_100000743016 [0,1,0,0,0,1|2,0,0]=4 7368 B18R2.12980 CN(C)C(=O)CCc1ccc2ccccc2c1 271570a_200010232142_100000233703 [0,1,0,0,0,1|2,0,0]=4 7369 B18R2.12980 CN(C)C(=O)CCc1ccc2ccccc2c1 527a_100102631434_100000743016 [0,1,0,0,0,1|2,0,0]=4 7370 B18R2.12980 CN(C)C(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000692301 [0,1,0,0,0,1|2,0,0]=4 7371 B18R2.12980 CN(C)C(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000692301 [0,1,0,0,0,1|2,0,0]=4 7372 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 11a_100102631434_100000185456 [0,1,0,0,0,1|1,0,0]=3 7373 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 1626a_100102631434_100000185456 [0,1,0,0,0,1|1,0,0]=3 7374 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 240690a_100102631434_100000185456 [0,1,0,0,0,1|1,0,0]=3 7375 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100000692301 [0,1,0,0,0,1|1,0,0]=3 7376 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 527a_100102631434_100000185456 [0,1,0,0,0,1|1,0,0]=3 7377 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 7a_100000185828_100000692301 [0,1,0,0,0,1|1,0,0]=3 7378 B18R2.12980 CN(C)C(=O)COc1ccc2cccnc2c1 34a_100011216045_100000692301 [0,1,0,0,0,1|2,0,0]=4 7379 B18R2.12980 CN(C)C(=O)COc1ccc2ccncc2c1 7a_100000752006_100000692301 [0,1,0,0,0,1|2,0,0]=4 7380 B18R2.12980 CN(C)C(=O)COc1ccc2cnccc2c1 34a_100000046372_100000692301 [0,1,0,0,0,1|2,0,0]=4 7381 B18R2.12980 CN(C)C(=O)COc1ccc2cnccc2c1 7a_100000046372_100000692301 [0,1,0,0,0,1|2,0,0]=4 7382 B18R2.12980 CN(C)C(=O)COc1ccc2ncccc2c1 34a_100011215586_100000692301 [0,1,0,0,0,1|2,0,0]=4 7383 B18R2.12980 CN(C)C(=O)COc1ccc2ncccc2c1 7a_100011215586_100000692301 [0,1,0,0,0,1|2,0,0]=4 7384 B18R2.12980 CN(C)C(=O)COc1cnc2ccccc2c1 34a_100011934006_100000692301 [0,1,0,0,0,1|2,0,0]=4 7385 B18R2.12980 CN(C)C(=O)COc1cnc2ccccc2c1 7a_100011934006_100000692301 [0,1,0,0,0,1|2,0,0]=4 7386 B18R2.12980 CN(C)C(=O)CSc1ccc2ccccc2c1 11a_100102631434_100000181792 [0,1,0,0,0,1|1,1,0]=4 7387 B18R2.12980 CN(C)C(=O)CSc1ccc2ccccc2c1 1626a_100102631434_100000181792 [0,1,0,0,0,1|1,1,0]=4 7388 B18R2.12980 CN(C)C(=O)CSc1ccc2ccccc2c1 240690a_100102631434_100000181792 [0,1,0,0,0,1|1,1,0]=4 7389 B18R2.12980 CN(C)C(=O)CSc1ccc2ccccc2c1 527a_100102631434_100000181792 [0,1,0,0,0,1|1,1,0]=4 7390 B18R2.12980 CN(C)C(=O)CSc1ccc2ccccc2c1 62a_100000692301_100000233703 [0,1,0,0,0,1|1,1,0]=4 7391 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000755188 [0,1,0,0,0,1|1,0,0]=3 7392 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755188 [0,1,0,0,0,1|1,0,0]=3 7393 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2n1 27a_100000738805_100011291633 [0,1,0,0,0,1|2,0,0]=4 7394 B18R2.14560 CC(C)(C)CCNc1ccc2cccnc2c1 34a_100102887122_100000755188 [0,1,0,0,0,1|2,0,0]=4 7395 B18R2.14560 CC(C)(C)CCNc1ccc2cnccc2c1 34a_100000039641_100000755188 [0,1,0,0,0,1|2,0,0]=4 7396 B18R2.14560 CC(C)(C)CCNc1ccc2ncccc2c1 34a_100011198106_100000755188 [0,1,0,0,0,1|2,0,0]=4 7397 B18R2.14560 CC(C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000755188 [0,1,0,0,0,1|0,0,0]=2 7398 B18R2.14560 CC(C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755188 [0,1,0,0,0,1|0,0,0]=2 7399 B18R2.14560 CC(C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000755188 [0,1,0,0,0,1|1,0,0]=3 7400 B18R2.14560 CC(C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755188 [0,1,0,0,0,1|1,0,0]=3 7401 B18R2.14560 CC(C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000755188 [0,1,0,0,0,1|1,0,0]=3 7402 B18R2.14560 CC(C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755188 [0,1,0,0,0,1|1,0,0]=3 7403 B18R2.14560 CC(C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000755188 [0,1,0,0,0,1|1,0,0]=3 7404 B18R2.14560 CC(C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755188 [0,1,0,0,0,1|1,0,0]=3 7405 B18R2.14560 CC(C)(C)CCOc1ccc2nccnc2c1 34a_100000694412_100000755188 [0,1,0,0,0,1|2,0,0]=4 7406 B18R2.14560 CC(C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000755188 [0,1,0,0,0,1|1,0,0]=3 7407 B18R2.14560 CC(C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755188 [0,1,0,0,0,1|1,0,0]=3 7408 B18R2.14560 CC(C)(C)CCSc1cc2ccccc2cn1 62a_100000755188_100000047361 [0,1,0,0,0,1|1,1,0]=4 7409 B18R2.14560 CC(C)(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000755188 [0,1,0,0,0,1|1,1,0]=4 7410 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2n1 62a_100000755188_100011291633 [0,1,0,0,0,1|1,1,0]=4 7411 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755188 [0,1,0,0,0,1|1,1,0]=4 7412 B18R2.14560 CC(C)(C)CCSc1ccc2cccnc2c1 62a_100000755188_100009816655 [0,1,0,0,0,1|1,1,0]=4 7413 B18R2.14560 CC(C)(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000755188 [0,1,0,0,0,1|1,1,0]=4 7414 B18R2.14560 CC(C)(C)CCSc1ccc2ccncc2c1 62a_100000755188_100000686496 [0,1,0,0,0,1|1,1,0]=4 7415 B18R2.14560 CC(C)(C)CCSc1ccc2cnccc2c1 62a_100000755188_100009816743 [0,1,0,0,0,1|1,1,0]=4 7416 B18R2.14560 CC(C)(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000755188 [0,1,0,0,0,1|1,1,0]=4 7417 B18R2.14560 CC(C)(C)CCSc1ccc2ncccc2c1 62a_100000755188_100011215947 [0,1,0,0,0,1|1,1,0]=4 7418 B18R2.14560 CC(C)(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000755188 [0,1,0,0,0,1|1,1,0]=4 7419 B18R2.14560 CC(C)(C)CCSc1cnc2ccccc2c1 62a_100000755188_100000737414 [0,1,0,0,0,1|1,1,0]=4 7420 B18R2.14560 CC(C)(C)CNCc1cc2ccccc2cn1 207a_100000743828_100000059776 [0,1,0,0,0,1|2,0,0]=4 7421 B18R2.14560 CC(C)(C)CNCc1cc2ccccc2cn1 2230a_100000743828_100009869231 [0,1,0,0,0,1|2,0,0]=4 7422 B18R2.14560 CC(C)(C)CNCc1cc2ccccc2cn1 270004a_100000743828_100000059776 [0,1,0,0,0,1|2,0,0]=4 7423 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 207a_100000743828_100000211584 [0,1,0,0,0,1|1,0,0]=3 7424 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 2230a_100000743828_100011216711 [0,1,0,0,0,1|1,0,0]=3 7425 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100011204126 [0,1,0,0,0,1|1,0,0]=3 7426 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 270004a_100000743828_100000211584 [0,1,0,0,0,1|1,0,0]=3 7427 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 34a_100000739491_100011219605 [0,1,0,0,0,1|1,0,0]=3 7428 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2n1 207a_100000743828_100000759686 [0,1,0,0,0,1|2,0,0]=4 7429 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2n1 2230a_100000743828_100000737579 [0,1,0,0,0,1|2,0,0]=4 7430 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2n1 270004a_100000743828_100000759686 [0,1,0,0,0,1|2,0,0]=4 7431 B18R2.14560 CC(C)(C)CNCc1ccc2cccnc2c1 207a_100000743828_100011784159 [0,1,0,0,0,1|2,0,0]=4 7432 B18R2.14560 CC(C)(C)CNCc1ccc2cccnc2c1 270004a_100000743828_100011784159 [0,1,0,0,0,1|2,0,0]=4 7433 B18R2.14560 CC(C)(C)CNCc1ccc2cnccc2c1 207a_100000743828_100000068276 [0,1,0,0,0,1|2,0,0]=4 7434 B18R2.14560 CC(C)(C)CNCc1ccc2cnccc2c1 2230a_100000743828_100020605334 [0,1,0,0,0,1|2,0,0]=4 7435 B18R2.14560 CC(C)(C)CNCc1ccc2cnccc2c1 270004a_100000743828_100000068276 [0,1,0,0,0,1|2,0,0]=4 7436 B18R2.14560 CC(C)(C)CNCc1ccc2ncccc2c1 207a_100000743828_100000211315 [0,1,0,0,0,1|2,0,0]=4 7437 B18R2.14560 CC(C)(C)CNCc1ccc2ncccc2c1 2230a_100000743828_100000703657 [0,1,0,0,0,1|2,0,0]=4 7438 B18R2.14560 CC(C)(C)CNCc1ccc2ncccc2c1 270004a_100000238500_100011204126 [0,1,0,0,0,1|2,0,0]=4 7439 B18R2.14560 CC(C)(C)CNCc1ccc2ncccc2c1 270004a_100000743828_100000211315 [0,1,0,0,0,1|2,0,0]=4 7440 B18R2.14560 CC(C)(C)CNCc1ccc2ncccc2c1 34a_100000238500_100011219605 [0,1,0,0,0,1|2,0,0]=4 7441 B18R2.14560 CC(C)(C)CNCc1cnc2ccccc2c1 207a_100000743828_100000750898 [0,1,0,0,0,1|2,0,0]=4 7442 B18R2.14560 CC(C)(C)CNCc1cnc2ccccc2c1 270004a_100000742225_100011204126 [0,1,0,0,0,1|2,0,0]=4 7443 B18R2.14560 CC(C)(C)CNCc1cnc2ccccc2c1 270004a_100000743828_100000750898 [0,1,0,0,0,1|2,0,0]=4 7444 B18R2.14560 CC(C)(C)CNCc1cnc2ccccc2c1 34a_100000742225_100011219605 [0,1,0,0,0,1|2,0,0]=4 7445 B18R2.14560 CC(C)(C)COCc1ccc2ccccc2c1 34a_100011215330_100011219605 [0,1,0,0,0,1|0,0,0]=2 7446 B18R2.14560 CC(C)(C)COCc1ccc2ncccc2c1 34a_100011315636_100011219605 [0,1,0,0,0,1|1,0,0]=3 7447 B18R2.14560 CC(C)(C)COCc1cnc2ccccc2c1 34a_100011258773_100011219605 [0,1,0,0,0,1|1,0,0]=3 7448 B18R2.14560 CC(C)(C)CSCc1cc2ccccc2cn1 62a_100009869231_100011219605 [0,1,0,0,0,1|1,1,0]=4 7449 B18R2.14560 CC(C)(C)CSCc1cc2ccccc2cn1 62a_100011219605_100009869231 [0,1,0,0,0,1|1,1,0]=4 7450 B18R2.14560 CC(C)(C)CSCc1ccc2ccccc2n1 62a_100000737579_100011219605 [0,1,0,0,0,1|1,1,0]=4 7451 B18R2.14560 CC(C)(C)CSCc1ccc2ccccc2n1 62a_100011219605_100000737579 [0,1,0,0,0,1|1,1,0]=4 7452 B18R2.14560 CC(C)(C)CSCc1ccc2cnccc2c1 62a_100011219605_100020605334 [0,1,0,0,0,1|1,1,0]=4 7453 B18R2.14560 CC(C)(C)CSCc1ccc2cnccc2c1 62a_100020605334_100011219605 [0,1,0,0,0,1|1,1,0]=4 7454 B18R2.14560 CC(C)(C)CSCc1ccc2ncccc2c1 62a_100000703657_100011219605 [0,1,0,0,0,1|1,1,0]=4 7455 B18R2.14560 CC(C)(C)CSCc1ccc2ncccc2c1 62a_100011219605_100000703657 [0,1,0,0,0,1|1,1,0]=4 7456 B18R2.14560 CC(C)(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210625 [0,1,0,0,0,1|1,0,0]=3 7457 B18R2.14560 CC(C)(C)NN=Cc1ccc2ccccc2c1 4a_100000725372_100000211584 [0,1,0,0,0,1|2,0,0]=4 7458 B18R2.14560 CC(C)(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210625 [0,1,0,0,0,1|1,0,0]=3 7459 B18R2.14560 CC(C)(C)OCCc1ccc2ccccc2n1 34a_100011996444_100000210625 [0,1,0,0,0,1|2,0,0]=4 7460 B18R2.14560 CC(C)(F)CCNc1ccc2ccccc2n1 27a_100016253952_100011291633 [0,1,0,0,0,1|2,0,0]=4 7461 B18R2.14560 CC(C)(F)CNCc1cc2ccccc2cn1 207a_100020643315_100000059776 [0,1,0,0,0,1|2,0,0]=4 7462 B18R2.14560 CC(C)(F)CNCc1cc2ccccc2cn1 2230a_100020643315_100009869231 [0,1,0,0,0,1|2,0,0]=4 7463 B18R2.14560 CC(C)(F)CNCc1cc2ccccc2cn1 270004a_100020643315_100000059776 [0,1,0,0,0,1|2,0,0]=4 7464 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 207a_100020643315_100000211584 [0,1,0,0,0,1|1,0,0]=3 7465 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 2230a_100020643315_100011216711 [0,1,0,0,0,1|1,0,0]=3 7466 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 270004a_100020643315_100000211584 [0,1,0,0,0,1|1,0,0]=3 7467 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 34a_100000739491_100011997219 [0,1,0,0,0,1|1,0,0]=3 7468 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2n1 207a_100020643315_100000759686 [0,1,0,0,0,1|2,0,0]=4 7469 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2n1 2230a_100020643315_100000737579 [0,1,0,0,0,1|2,0,0]=4 7470 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2n1 270004a_100020643315_100000759686 [0,1,0,0,0,1|2,0,0]=4 7471 B18R2.14560 CC(C)(F)CNCc1ccc2cccnc2c1 207a_100020643315_100011784159 [0,1,0,0,0,1|2,0,0]=4 7472 B18R2.14560 CC(C)(F)CNCc1ccc2cccnc2c1 270004a_100020643315_100011784159 [0,1,0,0,0,1|2,0,0]=4 7473 B18R2.14560 CC(C)(F)CNCc1ccc2cnccc2c1 207a_100020643315_100000068276 [0,1,0,0,0,1|2,0,0]=4 7474 B18R2.14560 CC(C)(F)CNCc1ccc2cnccc2c1 2230a_100020643315_100020605334 [0,1,0,0,0,1|2,0,0]=4 7475 B18R2.14560 CC(C)(F)CNCc1ccc2cnccc2c1 270004a_100020643315_100000068276 [0,1,0,0,0,1|2,0,0]=4 7476 B18R2.14560 CC(C)(F)CNCc1ccc2ncccc2c1 207a_100020643315_100000211315 [0,1,0,0,0,1|2,0,0]=4 7477 B18R2.14560 CC(C)(F)CNCc1ccc2ncccc2c1 2230a_100020643315_100000703657 [0,1,0,0,0,1|2,0,0]=4 7478 B18R2.14560 CC(C)(F)CNCc1ccc2ncccc2c1 270004a_100020643315_100000211315 [0,1,0,0,0,1|2,0,0]=4 7479 B18R2.14560 CC(C)(F)CNCc1ccc2ncccc2c1 34a_100000238500_100011997219 [0,1,0,0,0,1|2,0,0]=4 7480 B18R2.14560 CC(C)(F)CNCc1cnc2ccccc2c1 207a_100020643315_100000750898 [0,1,0,0,0,1|2,0,0]=4 7481 B18R2.14560 CC(C)(F)CNCc1cnc2ccccc2c1 270004a_100020643315_100000750898 [0,1,0,0,0,1|2,0,0]=4 7482 B18R2.14560 CC(C)(F)CNCc1cnc2ccccc2c1 34a_100000742225_100011997219 [0,1,0,0,0,1|2,0,0]=4 7483 B18R2.14560 CC(C)(F)COCc1cc2ccccc2cn1 34a_100000716592_100009869231 [0,1,0,0,0,1|1,0,0]=3 7484 B18R2.14560 CC(C)(F)COCc1ccc2ccccc2c1 34a_100000716592_100011216711 [0,1,0,0,0,1|0,0,0]=2 7485 B18R2.14560 CC(C)(F)COCc1ccc2ccccc2c1 34a_100011215330_100011997219 [0,1,0,0,0,1|0,0,0]=2 7486 B18R2.14560 CC(C)(F)COCc1ccc2ccccc2n1 34a_100000716592_100000737579 [0,1,0,0,0,1|1,0,0]=3 7487 B18R2.14560 CC(C)(F)COCc1ccc2cnccc2c1 34a_100000716592_100020605334 [0,1,0,0,0,1|1,0,0]=3 7488 B18R2.14560 CC(C)(F)COCc1ccc2ncccc2c1 34a_100000716592_100000703657 [0,1,0,0,0,1|1,0,0]=3 7489 B18R2.14560 CC(C)(F)COCc1ccc2ncccc2c1 34a_100011315636_100011997219 [0,1,0,0,0,1|1,0,0]=3 7490 B18R2.14560 CC(C)(F)COCc1cnc2ccccc2c1 34a_100011258773_100011997219 [0,1,0,0,0,1|1,0,0]=3 7491 B18R2.14560 CC(C)(F)COCc1ncc2ccccc2n1 34a_100000716592_100009868571 [0,1,0,0,0,1|2,0,0]=4 7492 B18R2.14560 CC(C)(F)CSCc1cc2ccccc2cn1 62a_100009869231_100011997219 [0,1,0,0,0,1|1,1,0]=4 7493 B18R2.14560 CC(C)(F)CSCc1cc2ccccc2cn1 62a_100011997219_100009869231 [0,1,0,0,0,1|1,1,0]=4 7494 B18R2.14560 CC(C)(F)CSCc1ccc2ccccc2c1 62a_100011216711_100011997219 [0,1,0,0,0,1|0,1,0]=3 7495 B18R2.14560 CC(C)(F)CSCc1ccc2ccccc2c1 62a_100011997219_100011216711 [0,1,0,0,0,1|0,1,0]=3 7496 B18R2.14560 CC(C)(F)CSCc1ccc2ccccc2n1 62a_100000737579_100011997219 [0,1,0,0,0,1|1,1,0]=4 7497 B18R2.14560 CC(C)(F)CSCc1ccc2ccccc2n1 62a_100011997219_100000737579 [0,1,0,0,0,1|1,1,0]=4 7498 B18R2.14560 CC(C)(F)CSCc1ccc2cnccc2c1 62a_100011997219_100020605334 [0,1,0,0,0,1|1,1,0]=4 7499 B18R2.14560 CC(C)(F)CSCc1ccc2cnccc2c1 62a_100020605334_100011997219 [0,1,0,0,0,1|1,1,0]=4 7500 B18R2.14560 CC(C)(F)CSCc1ccc2ncccc2c1 62a_100000703657_100011997219 [0,1,0,0,0,1|1,1,0]=4 7501 B18R2.14560 CC(C)(F)CSCc1ccc2ncccc2c1 62a_100011997219_100000703657 [0,1,0,0,0,1|1,1,0]=4 7502 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2c1 34a_100000211940_100000702414 [0,1,0,0,0,1|1,0,0]=3 7503 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2c1 7a_100000211940_100000702414 [0,1,0,0,0,1|1,0,0]=3 7504 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2n1 27a_100000707701_100011291633 [0,1,0,0,0,1|2,0,0]=4 7505 B18R2.14560 CC(C)(O)CCNc1ccc2cccnc2c1 34a_100102887122_100000702414 [0,1,0,0,0,1|2,0,0]=4 7506 B18R2.14560 CC(C)(O)CCNc1ccc2cnccc2c1 34a_100000039641_100000702414 [0,1,0,0,0,1|2,0,0]=4 7507 B18R2.14560 CC(C)(O)CCNc1ccc2ncccc2c1 34a_100011198106_100000702414 [0,1,0,0,0,1|2,0,0]=4 7508 B18R2.14560 CC(C)(O)CCOc1ccc2ccccc2c1 34a_100000185828_100000702414 [0,1,0,0,0,1|0,0,0]=2 7509 B18R2.14560 CC(C)(O)CCOc1ccc2ccccc2c1 7a_100000185828_100000702414 [0,1,0,0,0,1|0,0,0]=2 7510 B18R2.14560 CC(C)(O)CCOc1ccc2cccnc2c1 34a_100011216045_100000702414 [0,1,0,0,0,1|1,0,0]=3 7511 B18R2.14560 CC(C)(O)CCOc1ccc2ccncc2c1 7a_100000752006_100000702414 [0,1,0,0,0,1|1,0,0]=3 7512 B18R2.14560 CC(C)(O)CCOc1ccc2cnccc2c1 34a_100000046372_100000702414 [0,1,0,0,0,1|1,0,0]=3 7513 B18R2.14560 CC(C)(O)CCOc1ccc2cnccc2c1 7a_100000046372_100000702414 [0,1,0,0,0,1|1,0,0]=3 7514 B18R2.14560 CC(C)(O)CCOc1ccc2ncccc2c1 34a_100011215586_100000702414 [0,1,0,0,0,1|1,0,0]=3 7515 B18R2.14560 CC(C)(O)CCOc1ccc2ncccc2c1 7a_100011215586_100000702414 [0,1,0,0,0,1|1,0,0]=3 7516 B18R2.14560 CC(C)(O)CCOc1ccc2nccnc2c1 34a_100000694412_100000702414 [0,1,0,0,0,1|2,0,0]=4 7517 B18R2.14560 CC(C)(O)CCOc1cnc2ccccc2c1 34a_100011934006_100000702414 [0,1,0,0,0,1|1,0,0]=3 7518 B18R2.14560 CC(C)(O)CCOc1cnc2ccccc2c1 7a_100011934006_100000702414 [0,1,0,0,0,1|1,0,0]=3 7519 B18R2.14560 CC(C)(O)CCSc1cc2ccccc2cn1 62a_100000702414_100000047361 [0,1,0,0,0,1|1,1,0]=4 7520 B18R2.14560 CC(C)(O)CCSc1cc2ccccc2cn1 62a_100009816522_100000702414 [0,1,0,0,0,1|1,1,0]=4 7521 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2c1 62a_100000702414_100000233703 [0,1,0,0,0,1|0,1,0]=3 7522 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2n1 62a_100000702414_100011291633 [0,1,0,0,0,1|1,1,0]=4 7523 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2n1 62a_100011291633_100000702414 [0,1,0,0,0,1|1,1,0]=4 7524 B18R2.14560 CC(C)(O)CCSc1ccc2cccnc2c1 62a_100000702414_100009816655 [0,1,0,0,0,1|1,1,0]=4 7525 B18R2.14560 CC(C)(O)CCSc1ccc2ccncc2c1 62a_100000686496_100000702414 [0,1,0,0,0,1|1,1,0]=4 7526 B18R2.14560 CC(C)(O)CCSc1ccc2ccncc2c1 62a_100000702414_100000686496 [0,1,0,0,0,1|1,1,0]=4 7527 B18R2.14560 CC(C)(O)CCSc1ccc2cnccc2c1 62a_100000702414_100009816743 [0,1,0,0,0,1|1,1,0]=4 7528 B18R2.14560 CC(C)(O)CCSc1ccc2cnccc2c1 62a_100009816743_100000702414 [0,1,0,0,0,1|1,1,0]=4 7529 B18R2.14560 CC(C)(O)CCSc1ccc2ncccc2c1 62a_100000702414_100011215947 [0,1,0,0,0,1|1,1,0]=4 7530 B18R2.14560 CC(C)(O)CCSc1ccc2ncccc2c1 62a_100011215947_100000702414 [0,1,0,0,0,1|1,1,0]=4 7531 B18R2.14560 CC(C)(O)CCSc1cnc2ccccc2c1 62a_100000702414_100000737414 [0,1,0,0,0,1|1,1,0]=4 7532 B18R2.14560 CC(C)(O)CNCc1cc2ccccc2cn1 207a_100000751335_100000059776 [0,1,0,0,0,1|2,0,0]=4 7533 B18R2.14560 CC(C)(O)CNCc1cc2ccccc2cn1 2230a_100000751335_100009869231 [0,1,0,0,0,1|2,0,0]=4 7534 B18R2.14560 CC(C)(O)CNCc1cc2ccccc2cn1 270004a_100000751335_100000059776 [0,1,0,0,0,1|2,0,0]=4 7535 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 207a_100000751335_100000211584 [0,1,0,0,0,1|1,0,0]=3 7536 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 2230a_100000751335_100011216711 [0,1,0,0,0,1|1,0,0]=3 7537 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 270004a_100000751335_100000211584 [0,1,0,0,0,1|1,0,0]=3 7538 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 34a_100000739491_100000764493 [0,1,0,0,0,1|1,0,0]=3 7539 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2n1 207a_100000751335_100000759686 [0,1,0,0,0,1|2,0,0]=4 7540 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2n1 2230a_100000751335_100000737579 [0,1,0,0,0,1|2,0,0]=4 7541 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2n1 270004a_100000751335_100000759686 [0,1,0,0,0,1|2,0,0]=4 7542 B18R2.14560 CC(C)(O)CNCc1ccc2cccnc2c1 207a_100000751335_100011784159 [0,1,0,0,0,1|2,0,0]=4 7543 B18R2.14560 CC(C)(O)CNCc1ccc2cccnc2c1 270004a_100000751335_100011784159 [0,1,0,0,0,1|2,0,0]=4 7544 B18R2.14560 CC(C)(O)CNCc1ccc2cnccc2c1 207a_100000751335_100000068276 [0,1,0,0,0,1|2,0,0]=4 7545 B18R2.14560 CC(C)(O)CNCc1ccc2cnccc2c1 2230a_100000751335_100020605334 [0,1,0,0,0,1|2,0,0]=4 7546 B18R2.14560 CC(C)(O)CNCc1ccc2cnccc2c1 270004a_100000751335_100000068276 [0,1,0,0,0,1|2,0,0]=4 7547 B18R2.14560 CC(C)(O)CNCc1ccc2ncccc2c1 207a_100000751335_100000211315 [0,1,0,0,0,1|2,0,0]=4 7548 B18R2.14560 CC(C)(O)CNCc1ccc2ncccc2c1 2230a_100000751335_100000703657 [0,1,0,0,0,1|2,0,0]=4 7549 B18R2.14560 CC(C)(O)CNCc1ccc2ncccc2c1 270004a_100000751335_100000211315 [0,1,0,0,0,1|2,0,0]=4 7550 B18R2.14560 CC(C)(O)CNCc1ccc2ncccc2c1 34a_100000238500_100000764493 [0,1,0,0,0,1|2,0,0]=4 7551 B18R2.14560 CC(C)(O)CNCc1cnc2ccccc2c1 207a_100000751335_100000750898 [0,1,0,0,0,1|2,0,0]=4 7552 B18R2.14560 CC(C)(O)CNCc1cnc2ccccc2c1 270004a_100000751335_100000750898 [0,1,0,0,0,1|2,0,0]=4 7553 B18R2.14560 CC(C)(O)CNCc1cnc2ccccc2c1 34a_100000742225_100000764493 [0,1,0,0,0,1|2,0,0]=4 7554 B18R2.14560 CC(C)(O)COCc1ccc2ccccc2c1 34a_100011215330_100000764493 [0,1,0,0,0,1|0,0,0]=2 7555 B18R2.14560 CC(C)(O)COCc1ccc2ccccc2c1 7a_100011215330_100000764493 [0,1,0,0,0,1|0,0,0]=2 7556 B18R2.14560 CC(C)(O)COCc1ccc2ncccc2c1 34a_100011315636_100000764493 [0,1,0,0,0,1|1,0,0]=3 7557 B18R2.14560 CC(C)(O)COCc1cnc2ccccc2c1 34a_100011258773_100000764493 [0,1,0,0,0,1|1,0,0]=3 7558 B18R2.14560 CC(C)(O)CSCc1cc2ccccc2cn1 62a_100000764493_100009869231 [0,1,0,0,0,1|1,1,0]=4 7559 B18R2.14560 CC(C)(O)CSCc1cc2ccccc2cn1 62a_100009869231_100000764493 [0,1,0,0,0,1|1,1,0]=4 7560 B18R2.14560 CC(C)(O)CSCc1ccc2ccccc2c1 62a_100000764493_100011216711 [0,1,0,0,0,1|0,1,0]=3 7561 B18R2.14560 CC(C)(O)CSCc1ccc2ccccc2c1 62a_100011216711_100000764493 [0,1,0,0,0,1|0,1,0]=3 7562 B18R2.14560 CC(C)(O)CSCc1ccc2ccccc2n1 62a_100000737579_100000764493 [0,1,0,0,0,1|1,1,0]=4 7563 B18R2.14560 CC(C)(O)CSCc1ccc2ccccc2n1 62a_100000764493_100000737579 [0,1,0,0,0,1|1,1,0]=4 7564 B18R2.14560 CC(C)(O)CSCc1ccc2cnccc2c1 62a_100000764493_100020605334 [0,1,0,0,0,1|1,1,0]=4 7565 B18R2.14560 CC(C)(O)CSCc1ccc2cnccc2c1 62a_100020605334_100000764493 [0,1,0,0,0,1|1,1,0]=4 7566 B18R2.14560 CC(C)(O)CSCc1ccc2ncccc2c1 62a_100000703657_100000764493 [0,1,0,0,0,1|1,1,0]=4 7567 B18R2.14560 CC(C)(O)CSCc1ccc2ncccc2c1 62a_100000764493_100000703657 [0,1,0,0,0,1|1,1,0]=4 7568 B18R2.14560 CC(F)(F)CNCc1ccc2ccccc2c1 207a_100000731000_100000211584 [0,1,0,0,0,1|2,0,0]=4 7569 B18R2.14560 CC(F)(F)CNCc1ccc2ccccc2c1 270004a_100000731000_100000211584 [0,1,0,0,0,1|2,0,0]=4 7570 B18R2.14560 CC(F)(F)COCc1cc2ccccc2cn1 34a_100000068830_100009869231 [0,1,0,0,0,1|2,0,0]=4 7571 B18R2.14560 CC(F)(F)COCc1ccc2ccccc2c1 34a_100000068830_100011216711 [0,1,0,0,0,1|1,0,0]=3 7572 B18R2.14560 CC(F)(F)COCc1ccc2ccccc2n1 34a_100000068830_100000737579 [0,1,0,0,0,1|2,0,0]=4 7573 B18R2.14560 CC(F)(F)COCc1ccc2cnccc2c1 34a_100000068830_100020605334 [0,1,0,0,0,1|2,0,0]=4 7574 B18R2.14560 CC(F)(F)COCc1ccc2ncccc2c1 34a_100000068830_100000703657 [0,1,0,0,0,1|2,0,0]=4 7575 B18R2.14560 CS(=O)(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000731031 [0,1,0,0,0,1|2,0,0]=4 7576 B18R2.14560 CS(=O)(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000230027 [0,1,0,0,0,1|2,0,0]=4 7577 B18R2.14560 C[N+](C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000085578 [0,1,0,0,0,1|2,0,0]=4 7578 B18R2.14560 C[N+](C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000085578 [0,1,0,0,0,1|2,0,0]=4 7579 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000085578 [0,1,0,0,0,1|1,0,0]=3 7580 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000085578 [0,1,0,0,0,1|1,0,0]=3 7581 B18R2.14560 C[N+](C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000085578 [0,1,0,0,0,1|2,0,0]=4 7582 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000085578 [0,1,0,0,0,1|2,0,0]=4 7583 B18R2.14560 C[N+](C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000085578 [0,1,0,0,0,1|2,0,0]=4 7584 B18R2.14560 C[N+](C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000085578 [0,1,0,0,0,1|2,0,0]=4 7585 B18R2.14560 C[N+](C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000085578 [0,1,0,0,0,1|2,0,0]=4 7586 B18R2.14560 C[N+](C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000085578 [0,1,0,0,0,1|2,0,0]=4 7587 B18R2.14560 C[N+](C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000085578 [0,1,0,0,0,1|2,0,0]=4 7588 B18R2.14560 C[N+](C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000085578 [0,1,0,0,0,1|2,0,0]=4 7589 B18R2.14560 C[N+](C)(C)CCSc1ccc2ccccc2c1 62a_100000085578_100000233703 [0,1,0,0,0,1|1,1,0]=4 7590 B18R2.14560 C[N+](C)(C)CSCc1ccc2ccccc2c1 62a_100011216711_200000036245 [0,1,0,0,0,1|1,1,0]=4 7591 B18R2.14560 C[N+](C)(C)CSCc1ccc2ccccc2c1 62a_200000036245_100011216711 [0,1,0,0,0,1|1,1,0]=4 7592 B18R2.14560 C[Si](C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_200000733723 [0,1,0,0,0,1|1,1,0]=4 7593 B18R2.14560 C[Si](C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_200000733723 [0,1,0,0,0,1|1,1,0]=4 7594 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_200000733723 [0,1,0,0,0,1|0,1,0]=3 7595 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_200000733723 [0,1,0,0,0,1|0,1,0]=3 7596 B18R2.14560 C[Si](C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_200000733723 [0,1,0,0,0,1|1,1,0]=4 7597 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_200000733723 [0,1,0,0,0,1|1,1,0]=4 7598 B18R2.14560 C[Si](C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_200000733723 [0,1,0,0,0,1|1,1,0]=4 7599 B18R2.14560 C[Si](C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_200000733723 [0,1,0,0,0,1|1,1,0]=4 7600 B18R2.14560 C[Si](C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_200000733723 [0,1,0,0,0,1|1,1,0]=4 7601 B18R2.14560 C[Si](C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_200000733723 [0,1,0,0,0,1|1,1,0]=4 7602 B18R2.14560 C[Si](C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_200000733723 [0,1,0,0,0,1|1,1,0]=4 7603 B18R2.14560 C[Si](C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_200000733723 [0,1,0,0,0,1|1,1,0]=4 7604 B18R2.14560 C[Si](C)(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000037933 [0,1,0,0,0,1|1,1,0]=4 7605 B18R2.14560 C[Si](C)(C)COCc1ccc2ccccc2c1 7a_100011215330_100000233785 [0,1,0,0,0,1|0,1,0]=3 7606 B18R2.14560 C[Si](C)(C)CSCc1ccc2ccccc2c1 62a_100000037933_100011216711 [0,1,0,0,0,1|0,2,0]=4 7607 B18R2.14560 C[Si](C)(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000037933 [0,1,0,0,0,1|0,2,0]=4 7608 B18R2.14560 FC(F)(Br)COCc1ccc2ccccc2c1 34a_100011217949_100011216711 [0,1,0,0,0,1|2,0,0]=4 7609 B18R2.14560 FC(F)(Cl)COCc1ccc2ccccc2c1 34a_100000734434_100011216711 [0,1,0,0,0,1|2,0,0]=4 7610 B18R2.14560 FC(F)(F)CCOc1ccc2ccccc2c1 34a_100000185828_100011219754 [0,1,0,0,0,1|2,0,0]=4 7611 B18R2.14560 FC(F)(F)CCOc1ccc2ccccc2c1 7a_100000185828_100011219754 [0,1,0,0,0,1|2,0,0]=4 7612 B18R2.14560 FC(F)(F)COCc1ccc2ccccc2c1 34a_100000210435_100011216711 [0,1,0,0,0,1|2,0,0]=4 7613 B18R2.14644 C=C(C)COC(C)c1ccc2ccccc2c1 34a_100011215343_100000748629 [0,1,0,0,0,1|0,0,2]=4 7614 B18R2.14644 C=C(C)COC(C)c1ccc2ccccc2c1 7a_100011215343_100000748629 [0,1,0,0,0,1|0,0,2]=4 7615 B18R2.14644 CC(=CCC(=O)c1ccc2ccccc2c1)C 1458a_100000210637_100000761012 [0,1,0,0,0,1|1,0,1]=4 7616 B18R2.14644 CC(=CCN(C)c1ccc2ccccc2c1)C 2230a_100000181211_100000761012 [0,1,0,0,0,1|1,0,1]=4 7617 B18R2.14644 CC(=CCN(C)c1ccc2ccccc2c1)C 269982a_100000181211_100000761012 [0,1,0,0,0,1|1,0,1]=4 7618 B18R2.14644 CC(=CCN(C)c1ccc2ccccc2c1)C 34a_100000181211_100000761012 [0,1,0,0,0,1|1,0,1]=4 7619 B18R2.14644 CC(=NNC(C)C)c1ccc2ccccc2c1 4a_100000741168_100000210793 [0,1,0,0,0,1|2,0,0]=4 7620 B18R2.14644 CC(C)CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210312 [0,1,0,0,0,1|1,0,0]=3 7621 B18R2.14644 CC(C)CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210312 [0,1,0,0,0,1|2,0,0]=4 7622 B18R2.14644 CC(C)CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210312 [0,1,0,0,0,1|2,0,0]=4 7623 B18R2.14644 CC(C)CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210312 [0,1,0,0,0,1|2,0,0]=4 7624 B18R2.14644 CC(C)CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210312 [0,1,0,0,0,1|2,0,0]=4 7625 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210312 [0,1,0,0,0,1|1,0,0]=3 7626 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210312 [0,1,0,0,0,1|1,0,0]=3 7627 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210312 [0,1,0,0,0,1|1,0,0]=3 7628 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2n1 27a_100000742789_100011291633 [0,1,0,0,0,1|2,0,0]=4 7629 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 11a_100000210953_100000210637 [0,1,0,0,0,1|1,0,0]=3 7630 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 1626a_100000210953_100000210637 [0,1,0,0,0,1|1,0,0]=3 7631 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 240690a_100000210953_100000210637 [0,1,0,0,0,1|1,0,0]=3 7632 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 527a_100000210953_100000210637 [0,1,0,0,0,1|1,0,0]=3 7633 B18R2.14644 CC(C)CNC(=O)c1ccc2cccnc2c1 11a_100000210953_100011933907 [0,1,0,0,0,1|2,0,0]=4 7634 B18R2.14644 CC(C)CNC(=O)c1ccc2cccnc2c1 1626a_100000210953_100011933907 [0,1,0,0,0,1|2,0,0]=4 7635 B18R2.14644 CC(C)CNC(=O)c1ccc2cccnc2c1 240690a_100000210953_100011933907 [0,1,0,0,0,1|2,0,0]=4 7636 B18R2.14644 CC(C)CNC(=O)c1ccc2cccnc2c1 527a_100000210953_100011933907 [0,1,0,0,0,1|2,0,0]=4 7637 B18R2.14644 CC(C)CNC(=O)c1ccc2ccncc2c1 11a_100000210953_100000070124 [0,1,0,0,0,1|2,0,0]=4 7638 B18R2.14644 CC(C)CNC(=O)c1ccc2ccncc2c1 1626a_100000210953_100000070124 [0,1,0,0,0,1|2,0,0]=4 7639 B18R2.14644 CC(C)CNC(=O)c1ccc2ccncc2c1 240690a_100000210953_100000070124 [0,1,0,0,0,1|2,0,0]=4 7640 B18R2.14644 CC(C)CNC(=O)c1ccc2ccncc2c1 527a_100000210953_100000070124 [0,1,0,0,0,1|2,0,0]=4 7641 B18R2.14644 CC(C)CNC(=O)c1ccc2cnccc2c1 11a_100000210953_100011935275 [0,1,0,0,0,1|2,0,0]=4 7642 B18R2.14644 CC(C)CNC(=O)c1ccc2cnccc2c1 1626a_100000210953_100011935275 [0,1,0,0,0,1|2,0,0]=4 7643 B18R2.14644 CC(C)CNC(=O)c1ccc2cnccc2c1 240690a_100000210953_100011935275 [0,1,0,0,0,1|2,0,0]=4 7644 B18R2.14644 CC(C)CNC(=O)c1ccc2cnccc2c1 527a_100000210953_100011935275 [0,1,0,0,0,1|2,0,0]=4 7645 B18R2.14644 CC(C)CNC(=O)c1ccc2ncccc2c1 11a_100000210953_100011216044 [0,1,0,0,0,1|2,0,0]=4 7646 B18R2.14644 CC(C)CNC(=O)c1ccc2ncccc2c1 1626a_100000210953_100011216044 [0,1,0,0,0,1|2,0,0]=4 7647 B18R2.14644 CC(C)CNC(=O)c1ccc2ncccc2c1 240690a_100000210953_100011216044 [0,1,0,0,0,1|2,0,0]=4 7648 B18R2.14644 CC(C)CNC(=O)c1ccc2ncccc2c1 527a_100000210953_100011216044 [0,1,0,0,0,1|2,0,0]=4 7649 B18R2.14644 CC(C)CNC(C)c1cc2ccccc2cn1 269862a_100000210953_200000084103 [0,1,0,0,0,1|2,0,0]=4 7650 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210760 [0,1,0,0,0,1|1,0,0]=3 7651 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2c1 269862a_100000210953_100000210793 [0,1,0,0,0,1|1,0,0]=3 7652 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2c1 270004a_100000737073_100000210432 [0,1,0,0,0,1|1,0,0]=3 7653 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2n1 269862a_100000210953_100000684817 [0,1,0,0,0,1|2,0,0]=4 7654 B18R2.14644 CC(C)CNC(C)c1ccc2ncccc2c1 269862a_100000210953_100011286481 [0,1,0,0,0,1|2,0,0]=4 7655 B18R2.14644 CC(C)CNC(C)c1cnc2ccccc2c1 269862a_100000210953_100011376191 [0,1,0,0,0,1|2,0,0]=4 7656 B18R2.14644 CC(C)COC(C)c1ccc2ccccc2c1 34a_100011215343_100000210624 [0,1,0,0,0,1|0,0,0]=2 7657 B18R2.14644 CC(C)COC(C)c1ccc2ccccc2c1 7a_100011215343_100000210760 [0,1,0,0,0,1|0,0,0]=2 7658 B18R2.14644 CC(C)NCC(=O)c1ccc2ccccc2c1 2230a_100138425928_100000211431 [0,1,0,0,0,1|1,0,0]=3 7659 B18R2.14644 CC(C)NCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000210206 [0,1,0,0,0,1|1,0,0]=3 7660 B18R2.14644 CC(C)NCC(O)c1ccc2ccccc2c1 34a_100000754022_100000210206 [0,1,0,0,0,1|1,0,0]=3 7661 B18R2.14644 CC(C)NNC(=O)c1ccc2ccccc2c1 22a_100000741168_100000210637 [0,1,0,0,0,1|2,0,0]=4 7662 B18R2.14644 CC(C)OCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000709892 [0,1,0,0,0,1|1,0,0]=3 7663 B18R2.14644 CC(C)OCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000709892 [0,1,0,0,0,1|1,0,0]=3 7664 B18R2.14644 CC(C)OCN(C)c1ccc2ccccc2c1 34a_100000181211_100000709892 [0,1,0,0,0,1|1,0,0]=3 7665 B18R2.14644 CC(C)SCC(=O)c1ccc2ccccc2c1 62a_100000210206_100000211431 [0,1,0,0,0,1|1,0,0]=3 7666 B18R2.14644 CC(C)SCC(=O)c1ccc2ccccc2c1 62a_100000211431_100000210206 [0,1,0,0,0,1|1,0,0]=3 7667 B18R2.14644 CC(NC[C@@H](C)O)c1ccc2ccccc2c1 2230a_100000737073_100009817552 [0,1,0,0,0,1|2,0,0]=4 7668 B18R2.14644 CC(O)CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100012276601 [0,1,0,0,0,1|2,0,0]=4 7669 B18R2.14644 CC(O)CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100012276601 [0,1,0,0,0,1|2,0,0]=4 7670 B18R2.14644 CC(O)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100012276601 [0,1,0,0,0,1|2,0,0]=4 7671 B18R2.14644 CC(O)CCN(C)c1ccc2ccccc2c1 34a_100000181211_100012276601 [0,1,0,0,0,1|2,0,0]=4 7672 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 11a_100000210904_100000210637 [0,1,0,0,0,1|2,0,0]=4 7673 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 240690a_100000210904_100000210637 [0,1,0,0,0,1|2,0,0]=4 7674 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 527a_100000210904_100000210637 [0,1,0,0,0,1|2,0,0]=4 7675 B18R2.14644 CC(O)CNC(C)c1ccc2ccccc2c1 2230a_100000737073_100011218427 [0,1,0,0,0,1|2,0,0]=4 7676 B18R2.14644 CC(O)CNC(C)c1ccc2ccccc2c1 269862a_100000210904_100000210793 [0,1,0,0,0,1|2,0,0]=4 7677 B18R2.14644 CC(O)COC(C)c1ccc2ccccc2c1 34a_100011215343_100011218427 [0,1,0,0,0,1|1,0,0]=3 7678 B18R2.14644 CC(O)COC(C)c1ccc2ccccc2c1 7a_100011215343_100011218427 [0,1,0,0,0,1|1,0,0]=3 7679 B18R2.14644 CC(OCC(F)F)c1ccc2ccccc2c1 34a_100011215343_100011934356 [0,1,0,0,0,1|2,0,0]=4 7680 B18R2.14644 CC(OCC(F)F)c1ccc2ccccc2c1 7a_100011215343_100011934356 [0,1,0,0,0,1|2,0,0]=4 7681 B18R2.14644 CC(OC[C@@H](C)O)c1ccc2ccccc2c1 34a_100011215343_100009817552 [0,1,0,0,0,1|1,0,0]=3 7682 B18R2.14644 CC(OC[C@@H](C)O)c1ccc2ccccc2c1 7a_100011215343_100009817552 [0,1,0,0,0,1|1,0,0]=3 7683 B18R2.14644 CN(C)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000755713 [0,1,0,0,0,1|2,0,0]=4 7684 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000730704 [0,1,0,0,0,1|0,0,2]=4 7685 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000730704 [0,1,0,0,0,1|0,0,2]=4 7686 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000730704 [0,1,0,0,0,1|0,0,2]=4 7687 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000730704 [0,1,0,0,0,1|0,0,2]=4 7688 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000730704 [0,1,0,0,0,1|0,0,2]=4 7689 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000730704 [0,1,0,0,0,1|0,0,2]=4 7690 B18R2.31386 CC(=CCNc1ccc2ccc(cc2c1)Br)C 34a_100010090036_100000761012 [0,1,0,0,0,1|1,0,1]=4 7691 B18R2.31386 CC(=CCNc1ccc2ccc(cc2c1)Br)C 7a_100010090036_100000761012 [0,1,0,0,0,1|1,0,1]=4 7692 B18R2.31386 CC(=CCNc1ccc2ccc(cc2c1)O)C 34a_100015378740_100000761012 [0,1,0,0,0,1|1,0,1]=4 7693 B18R2.31386 CC(=CCNc1ccc2ccc(cc2c1)O)C 7a_100015378740_100000761012 [0,1,0,0,0,1|1,0,1]=4 7694 B18R2.31386 CC(=CCOc1cc2cc(ccc2cn1)F)C 34a_200000101709_100000761012 [0,1,0,0,0,1|1,0,1]=4 7695 B18R2.31386 CC(=CCOc1ccc2ccc(=O)oc2c1)C 34a_100000185914_100000761012 [0,1,0,0,0,1|1,0,1]=4 7696 B18R2.31386 CC(=CCOc1ccc2ccc(=O)oc2c1)C 7a_100000185914_100000761012 [0,1,0,0,0,1|1,0,1]=4 7697 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)Br)C 34a_100009816537_100000761012 [0,1,0,0,0,1|0,0,1]=3 7698 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)Br)C 7a_100009816537_100000761012 [0,1,0,0,0,1|0,0,1]=3 7699 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)C)C 34a_100000091598_100000761012 [0,1,0,0,0,1|0,0,1]=3 7700 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)C)C 7a_100000091598_100000761012 [0,1,0,0,0,1|0,0,1]=3 7701 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)N)C 34a_100015378740_100000761012 [0,1,0,0,0,1|0,0,1]=3 7702 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)N)C 7a_100015378740_100000761012 [0,1,0,0,0,1|0,0,1]=3 7703 B18R2.31386 CC(=CCOc1ccc2ccc(nc2c1)C)C 34a_100009867695_100000761012 [0,1,0,0,0,1|1,0,1]=4 7704 B18R2.31386 CC(=CCOc1ccc2ccc(nc2c1)C)C 7a_100009867695_100000761012 [0,1,0,0,0,1|1,0,1]=4 7705 B18R2.31386 CC(=CCOc1ccc2ccc(nc2c1)Cl)C 34a_100000079174_100000761012 [0,1,0,0,0,1|1,0,1]=4 7706 B18R2.31386 CC(=CCOc1ccc2ccc(nc2c1)Cl)C 7a_100000079174_100000761012 [0,1,0,0,0,1|1,0,1]=4 7707 B18R2.31386 CC(=CCOc1ccc2ncc(cc2c1)Br)C 34a_100010137430_100000761012 [0,1,0,0,0,1|1,0,1]=4 7708 B18R2.31386 CC(=CCOc1ccc2ncc(cc2c1)Br)C 7a_100010137430_100000761012 [0,1,0,0,0,1|1,0,1]=4 7709 B18R2.31386 CC(=CCOc1ccc2ncc(cc2c1)Cl)C 34a_100009869629_100000761012 [0,1,0,0,0,1|1,0,1]=4 7710 B18R2.31386 CC(=CCOc1ccc2ncc(cc2c1)Cl)C 7a_100009869629_100000761012 [0,1,0,0,0,1|1,0,1]=4 7711 B18R2.31386 CC(=CCOc1ccc2ncc(cc2c1)F)C 34a_100009845357_100000761012 [0,1,0,0,0,1|1,0,1]=4 7712 B18R2.31386 CC(=CCOc1ccc2ncc(cc2c1)F)C 7a_100009845357_100000761012 [0,1,0,0,0,1|1,0,1]=4 7713 B18R2.31386 CC(=CCOc1cnc2ccc(cc2c1)Br)C 34a_100000703654_100000761012 [0,1,0,0,0,1|1,0,1]=4 7714 B18R2.31386 CC(=CCOc1cnc2ccc(cc2c1)Br)C 7a_100000703654_100000761012 [0,1,0,0,0,1|1,0,1]=4 7715 B18R2.31386 CC(=CCSc1ccc2ccc(cc2c1)N)C 62a_100000761012_100010090036 [0,1,0,0,0,1|0,1,1]=4 7716 B18R2.31386 CC(=CCSc1ccc2ccc(cc2c1)N)C 62a_100010090036_100000761012 [0,1,0,0,0,1|0,1,1]=4 7717 B18R2.31386 CC(=CCSc1ccc2ccc(cc2c1)O)C 62a_100000761012_100009816537 [0,1,0,0,0,1|0,1,1]=4 7718 B18R2.31386 CC(=O)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000053229 [0,1,0,0,0,1|1,0,1]=4 7719 B18R2.31386 CC(=O)CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000053229 [0,1,0,0,0,1|1,0,1]=4 7720 B18R2.31386 CC(=O)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000053229 [0,1,0,0,0,1|1,0,1]=4 7721 B18R2.31386 CC(=O)OCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100009813279 [0,1,0,0,0,1|1,0,1]=4 7722 B18R2.31386 CC(=O)OCOc1ccc2ccc(cc2c1)C 34a_100000091598_100009813279 [0,1,0,0,0,1|1,0,1]=4 7723 B18R2.31386 CC(=O)OCOc1ccc2ccc(cc2c1)N 34a_100015378740_100009813279 [0,1,0,0,0,1|1,0,1]=4 7724 B18R2.31386 CC(Br)COCc1ccc2ccc(cc2n1)Cl 34a_100012180447_100010196396 [0,1,0,0,0,1|2,0,0]=4 7725 B18R2.31386 CC(C)CC=Cc1cc2cc(ccc2cn1)F 271570a_100016259101_100009828686 [0,1,0,0,0,1|2,0,0]=4 7726 B18R2.31386 CC(C)CC=Cc1ccc2cc[n+](cc2c1)[O-] 271570a_100016259101_100009816120 [0,1,0,0,0,1|2,0,0]=4 7727 B18R2.31386 CC(C)CC=Cc1ccc2ccc(=O)oc2c1 271570a_100016259101_100009993525 [0,1,0,0,0,1|2,0,0]=4 7728 B18R2.31386 CC(C)CC=Cc1ccc2ccc(cc2c1)N 271570a_100016259101_100010090036 [0,1,0,0,0,1|1,0,0]=3 7729 B18R2.31386 CC(C)CC=Cc1ccc2ccc(cc2c1)O 271570a_100016259101_100009816537 [0,1,0,0,0,1|1,0,0]=3 7730 B18R2.31386 CC(C)CC=Cc1ccc2ccc(cc2n1)O 271570a_100016259101_100000079174 [0,1,0,0,0,1|2,0,0]=4 7731 B18R2.31386 CC(C)CC=Cc1ccc2ccc(nc2c1)N 271570a_100016259101_100010187616 [0,1,0,0,0,1|2,0,0]=4 7732 B18R2.31386 CC(C)CC=Cc1ccc2ccc(nc2c1)O 271570a_100016259101_100000690401 [0,1,0,0,0,1|2,0,0]=4 7733 B18R2.31386 CC(C)CC=Cc1ccc2cnc(cc2c1)F 271570a_100016259101_100010291885 [0,1,0,0,0,1|2,0,0]=4 7734 B18R2.31386 CC(C)CC=Cc1ccc2cnc(cc2c1)N 271570a_100016259101_100009817123 [0,1,0,0,0,1|2,0,0]=4 7735 B18R2.31386 CC(C)CC=Cc1ccc2cnc(cc2c1)O 271570a_100016259101_100009817130 [0,1,0,0,0,1|2,0,0]=4 7736 B18R2.31386 CC(C)CC=Cc1ccc2ncc(cc2c1)O 271570a_100016259101_100000703654 [0,1,0,0,0,1|2,0,0]=4 7737 B18R2.31386 CC(C)CC=Cc1cnc2ccc(cc2c1)Cl 271570a_100016259101_100015929906 [0,1,0,0,0,1|2,0,0]=4 7738 B18R2.31386 CC(C)CC=Cc1cnc2ccc(cc2c1)N 271570a_100016259101_100009888932 [0,1,0,0,0,1|2,0,0]=4 7739 B18R2.31386 CC(C)CC=Cc1cnc2ccc(cc2c1)O 271570a_100016259101_100010137430 [0,1,0,0,0,1|2,0,0]=4 7740 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210312 [0,1,0,0,0,1|1,0,0]=3 7741 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210626 [0,1,0,0,0,1|1,0,0]=3 7742 B18R2.31386 CC(C)CCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210312 [0,1,0,0,0,1|2,0,0]=4 7743 B18R2.31386 CC(C)CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210312 [0,1,0,0,0,1|1,0,0]=3 7744 B18R2.31386 CC(C)CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210312 [0,1,0,0,0,1|1,0,0]=3 7745 B18R2.31386 CC(C)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210626 [0,1,0,0,0,1|1,0,0]=3 7746 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210312 [0,1,0,0,0,1|0,0,0]=2 7747 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210626 [0,1,0,0,0,1|0,0,0]=2 7748 B18R2.31386 CC(C)CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210312 [0,1,0,0,0,1|1,0,0]=3 7749 B18R2.31386 CC(C)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210626 [0,1,0,0,0,1|1,0,0]=3 7750 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210312 [0,1,0,0,0,1|1,0,0]=3 7751 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210626 [0,1,0,0,0,1|1,0,0]=3 7752 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210312 [0,1,0,0,0,1|1,0,0]=3 7753 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210626 [0,1,0,0,0,1|1,0,0]=3 7754 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210312 [0,1,0,0,0,1|1,0,0]=3 7755 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210626 [0,1,0,0,0,1|1,0,0]=3 7756 B18R2.31386 CC(C)CCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210312 [0,1,0,0,0,1|2,0,0]=4 7757 B18R2.31386 CC(C)CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210312 [0,1,0,0,0,1|1,0,0]=3 7758 B18R2.31386 CC(C)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210626 [0,1,0,0,0,1|1,0,0]=3 7759 B18R2.31386 CC(C)CCSc1cc2cc(ccc2cn1)F 62a_100000210312_100009828686 [0,1,0,0,0,1|1,1,0]=4 7760 B18R2.31386 CC(C)CCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210312 [0,1,0,0,0,1|1,1,0]=4 7761 B18R2.31386 CC(C)CCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210312_100009816120 [0,1,0,0,0,1|1,1,0]=4 7762 B18R2.31386 CC(C)CCSc1ccc2ccc(=O)oc2c1 62a_100000210312_100009993525 [0,1,0,0,0,1|1,1,0]=4 7763 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)N 62a_100000210312_100010090036 [0,1,0,0,0,1|0,1,0]=3 7764 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210312 [0,1,0,0,0,1|0,1,0]=3 7765 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)O 62a_100000210312_100009816537 [0,1,0,0,0,1|0,1,0]=3 7766 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2n1)O 62a_100000210312_100000079174 [0,1,0,0,0,1|1,1,0]=4 7767 B18R2.31386 CC(C)CCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210312 [0,1,0,0,0,1|1,1,0]=4 7768 B18R2.31386 CC(C)CCSc1ccc2ccc(nc2c1)O 62a_100000210312_100000690401 [0,1,0,0,0,1|1,1,0]=4 7769 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)F 62a_100000210312_100010291885 [0,1,0,0,0,1|1,1,0]=4 7770 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210312 [0,1,0,0,0,1|1,1,0]=4 7771 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)N 62a_100000210312_100009817123 [0,1,0,0,0,1|1,1,0]=4 7772 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210312 [0,1,0,0,0,1|1,1,0]=4 7773 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)O 62a_100000210312_100009817130 [0,1,0,0,0,1|1,1,0]=4 7774 B18R2.31386 CC(C)CCSc1ccc2ncc(cc2c1)O 62a_100000210312_100000703654 [0,1,0,0,0,1|1,1,0]=4 7775 B18R2.31386 CC(C)CCSc1cnc2ccc(cc2c1)N 62a_100000210312_100009888932 [0,1,0,0,0,1|1,1,0]=4 7776 B18R2.31386 CC(C)CCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210312 [0,1,0,0,0,1|1,1,0]=4 7777 B18R2.31386 CC(C)CCSc1cnc2ccc(cc2c1)O 62a_100000210312_100010137430 [0,1,0,0,0,1|1,1,0]=4 7778 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2c1)Br 207a_100000210953_100010200085 [0,1,0,0,0,1|1,0,0]=3 7779 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2c1)Br 26a_100000210953_100009816537 [0,1,0,0,0,1|1,0,0]=3 7780 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2c1)Br 270004a_100000210953_100010200085 [0,1,0,0,0,1|1,0,0]=3 7781 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2n1)Cl 207a_100000210953_100000083681 [0,1,0,0,0,1|2,0,0]=4 7782 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2n1)Cl 2230a_100000210953_100010196396 [0,1,0,0,0,1|2,0,0]=4 7783 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2n1)Cl 270004a_100000210953_100000083681 [0,1,0,0,0,1|2,0,0]=4 7784 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2n1)Cl 34a_100000210953_100010196396 [0,1,0,0,0,1|2,0,0]=4 7785 B18R2.31386 CC(C)CNCc1ccc2ncc(cc2c1)Br 26a_100000210953_100010137430 [0,1,0,0,0,1|2,0,0]=4 7786 B18R2.31386 CC(C)CNCc1cnc2ccc(cc2c1)Br 207a_100000210953_100010174008 [0,1,0,0,0,1|2,0,0]=4 7787 B18R2.31386 CC(C)CNCc1cnc2ccc(cc2c1)Br 270004a_100000210953_100010174008 [0,1,0,0,0,1|2,0,0]=4 7788 B18R2.31386 CC(C)CNCc1cnc2ccc(cc2c1)Cl 207a_100000210953_200000110299 [0,1,0,0,0,1|2,0,0]=4 7789 B18R2.31386 CC(C)CNCc1cnc2ccc(cc2c1)Cl 270004a_100000210953_200000110299 [0,1,0,0,0,1|2,0,0]=4 7790 B18R2.31386 CC(C)COCc1ccc2ccc(cc2n1)Cl 34a_100000210257_100010196396 [0,1,0,0,0,1|1,0,0]=3 7791 B18R2.31386 CC(C)CSCc1ccc2ccc(cc2n1)Cl 62a_100000210624_100010196396 [0,1,0,0,0,1|1,1,0]=4 7792 B18R2.31386 CC(C)CSCc1ccc2ccc(cc2n1)Cl 62a_100010196396_100000210760 [0,1,0,0,0,1|1,1,0]=4 7793 B18R2.31386 CC(C)NN=Cc1ccc2ccc(cc2c1)Br 4a_100000741168_100010200085 [0,1,0,0,0,1|2,0,0]=4 7794 B18R2.31386 CC(C)OCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000709892 [0,1,0,0,0,1|1,0,0]=3 7795 B18R2.31386 CC(C)OCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000709892 [0,1,0,0,0,1|1,0,0]=3 7796 B18R2.31386 CC(C)OCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000709892 [0,1,0,0,0,1|2,0,0]=4 7797 B18R2.31386 CC(C)OCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000709892 [0,1,0,0,0,1|1,0,0]=3 7798 B18R2.31386 CC(C)OCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000709892 [0,1,0,0,0,1|1,0,0]=3 7799 B18R2.31386 CC(C)OCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000709892 [0,1,0,0,0,1|0,0,0]=2 7800 B18R2.31386 CC(C)OCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000709892 [0,1,0,0,0,1|0,0,0]=2 7801 B18R2.31386 CC(C)OCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000709892 [0,1,0,0,0,1|1,0,0]=3 7802 B18R2.31386 CC(C)OCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000709892 [0,1,0,0,0,1|1,0,0]=3 7803 B18R2.31386 CC(C)OCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000709892 [0,1,0,0,0,1|1,0,0]=3 7804 B18R2.31386 CC(C)OCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000709892 [0,1,0,0,0,1|1,0,0]=3 7805 B18R2.31386 CC(C)OCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000709892 [0,1,0,0,0,1|2,0,0]=4 7806 B18R2.31386 CC(C)OCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000709892 [0,1,0,0,0,1|1,0,0]=3 7807 B18R2.31386 CC(C)OCSc1cc2cc(ccc2cn1)F 62a_100000709892_100009828686 [0,1,0,0,0,1|1,1,0]=4 7808 B18R2.31386 CC(C)OCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000709892 [0,1,0,0,0,1|1,1,0]=4 7809 B18R2.31386 CC(C)OCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000709892_100009816120 [0,1,0,0,0,1|1,1,0]=4 7810 B18R2.31386 CC(C)OCSc1ccc2ccc(=O)oc2c1 62a_100000709892_100009993525 [0,1,0,0,0,1|1,1,0]=4 7811 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2c1)N 62a_100000709892_100010090036 [0,1,0,0,0,1|0,1,0]=3 7812 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000709892 [0,1,0,0,0,1|0,1,0]=3 7813 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2c1)O 62a_100000709892_100009816537 [0,1,0,0,0,1|0,1,0]=3 7814 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2n1)O 62a_100000709892_100000079174 [0,1,0,0,0,1|1,1,0]=4 7815 B18R2.31386 CC(C)OCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000709892 [0,1,0,0,0,1|1,1,0]=4 7816 B18R2.31386 CC(C)OCSc1ccc2ccc(nc2c1)O 62a_100000709892_100000690401 [0,1,0,0,0,1|1,1,0]=4 7817 B18R2.31386 CC(C)OCSc1ccc2cnc(cc2c1)F 62a_100000709892_100010291885 [0,1,0,0,0,1|1,1,0]=4 7818 B18R2.31386 CC(C)OCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000709892 [0,1,0,0,0,1|1,1,0]=4 7819 B18R2.31386 CC(C)OCSc1ccc2cnc(cc2c1)N 62a_100000709892_100009817123 [0,1,0,0,0,1|1,1,0]=4 7820 B18R2.31386 CC(C)OCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000709892 [0,1,0,0,0,1|1,1,0]=4 7821 B18R2.31386 CC(C)OCSc1ccc2cnc(cc2c1)O 62a_100000709892_100009817130 [0,1,0,0,0,1|1,1,0]=4 7822 B18R2.31386 CC(C)OCSc1ccc2ncc(cc2c1)Br 62a_100000709892_200010254249 [0,1,0,0,0,1|1,1,0]=4 7823 B18R2.31386 CC(C)OCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000709892 [0,1,0,0,0,1|1,1,0]=4 7824 B18R2.31386 CC(C)OCSc1ccc2ncc(cc2c1)O 62a_100000709892_100000703654 [0,1,0,0,0,1|1,1,0]=4 7825 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)Br 62a_100000709892_100010740133 [0,1,0,0,0,1|1,1,0]=4 7826 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000709892 [0,1,0,0,0,1|1,1,0]=4 7827 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)Cl 62a_100000709892_100015929906 [0,1,0,0,0,1|1,1,0]=4 7828 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000709892 [0,1,0,0,0,1|1,1,0]=4 7829 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)N 62a_100000709892_100009888932 [0,1,0,0,0,1|1,1,0]=4 7830 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000709892 [0,1,0,0,0,1|1,1,0]=4 7831 B18R2.31386 CC(C)OCSc1cnc2ccc(cc2c1)O 62a_100000709892_100010137430 [0,1,0,0,0,1|1,1,0]=4 7832 B18R2.31386 CC(F)COCc1ccc2ccc(cc2n1)Cl 34a_100015925927_100010196396 [0,1,0,0,0,1|2,0,0]=4 7833 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100012276601 [0,1,0,0,0,1|2,0,0]=4 7834 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100012276601 [0,1,0,0,0,1|2,0,0]=4 7835 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100012276601 [0,1,0,0,0,1|2,0,0]=4 7836 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100012276601 [0,1,0,0,0,1|2,0,0]=4 7837 B18R2.31386 CC(O)CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100012276601 [0,1,0,0,0,1|2,0,0]=4 7838 B18R2.31386 CC(O)CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100012276601 [0,1,0,0,0,1|2,0,0]=4 7839 B18R2.31386 CC(O)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100012276601 [0,1,0,0,0,1|2,0,0]=4 7840 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100012276601 [0,1,0,0,0,1|1,0,0]=3 7841 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100012276601 [0,1,0,0,0,1|1,0,0]=3 7842 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100012276601 [0,1,0,0,0,1|1,0,0]=3 7843 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100012276601 [0,1,0,0,0,1|1,0,0]=3 7844 B18R2.31386 CC(O)CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100012276601 [0,1,0,0,0,1|2,0,0]=4 7845 B18R2.31386 CC(O)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100012276601 [0,1,0,0,0,1|2,0,0]=4 7846 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100012276601 [0,1,0,0,0,1|2,0,0]=4 7847 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100012276601 [0,1,0,0,0,1|2,0,0]=4 7848 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100012276601 [0,1,0,0,0,1|2,0,0]=4 7849 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100012276601 [0,1,0,0,0,1|2,0,0]=4 7850 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100012276601 [0,1,0,0,0,1|2,0,0]=4 7851 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100012276601 [0,1,0,0,0,1|2,0,0]=4 7852 B18R2.31386 CC(O)CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100012276601 [0,1,0,0,0,1|2,0,0]=4 7853 B18R2.31386 CC(O)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100012276601 [0,1,0,0,0,1|2,0,0]=4 7854 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100012276601 [0,1,0,0,0,1|1,1,0]=4 7855 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2c1)N 62a_100012276601_100010090036 [0,1,0,0,0,1|1,1,0]=4 7856 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2c1)O 62a_100012276601_100009816537 [0,1,0,0,0,1|1,1,0]=4 7857 B18R2.31386 CC(O)CNCc1ccc2ccc(cc2c1)Br 207a_100000210904_100010200085 [0,1,0,0,0,1|2,0,0]=4 7858 B18R2.31386 CC(O)CNCc1ccc2ccc(cc2c1)Br 270004a_100000210904_100010200085 [0,1,0,0,0,1|2,0,0]=4 7859 B18R2.31386 CN(C)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000755713 [0,1,0,0,0,1|2,0,0]=4 7860 B18R2.31386 CN(C)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000755713 [0,1,0,0,0,1|2,0,0]=4 7861 B18R2.31386 CN(C)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000755713 [0,1,0,0,0,1|2,0,0]=4 7862 B18R2.31386 CN(C)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000755713 [0,1,0,0,0,1|1,0,0]=3 7863 B18R2.31386 CN(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000755713 [0,1,0,0,0,1|1,0,0]=3 7864 B18R2.31386 CN(C)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000755713 [0,1,0,0,0,1|2,0,0]=4 7865 B18R2.31386 CN(C)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000755713 [0,1,0,0,0,1|2,0,0]=4 7866 B18R2.31386 CN(C)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000755713 [0,1,0,0,0,1|2,0,0]=4 7867 B18R2.31386 CN(C)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000755713 [0,1,0,0,0,1|2,0,0]=4 7868 B18R2.31386 CN(C)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000755713 [0,1,0,0,0,1|2,0,0]=4 7869 B18R2.31386 CN(C)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000755713 [0,1,0,0,0,1|1,1,0]=4 7870 B18R2.31386 C[C@@H](Cl)COCc1ccc2ccc(cc2n1)Cl 34a_100016084084_100010196396 [0,1,0,0,0,1|2,0,0]=4 7871 B18R2.31386 C[C@@H](N)COCc1ccc2ccc(cc2n1)Cl 34a_100000737577_100010196396 [0,1,0,0,0,1|2,0,0]=4 7872 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)C 34a_100000091598_100000210312 [0,1,0,0,0,1|0,0,0]=2 7873 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)C 7a_100000091598_100000210626 [0,1,0,0,0,1|0,0,0]=2 7874 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)O 34a_100000091598_100012276601 [0,1,0,0,0,1|1,0,0]=3 7875 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)O 7a_100000091598_100012276601 [0,1,0,0,0,1|1,0,0]=3 7876 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCN(C)C 7a_100000091598_100000755713 [0,1,0,0,0,1|1,0,0]=3 7877 B18R2.31386 Cc1ccc2ccc(cc2c1)OCOC(C)C 34a_100000091598_100000709892 [0,1,0,0,0,1|0,0,0]=2 7878 B18R2.31386 Cc1ccc2ccc(cc2n1)C=CCC(C)C 271570a_100016259101_100009817087 [0,1,0,0,0,1|2,0,0]=4 7879 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)C 34a_100009867695_100000210312 [0,1,0,0,0,1|1,0,0]=3 7880 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)C 7a_100009867695_100000210626 [0,1,0,0,0,1|1,0,0]=3 7881 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)O 34a_100009867695_100012276601 [0,1,0,0,0,1|2,0,0]=4 7882 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)O 7a_100009867695_100012276601 [0,1,0,0,0,1|2,0,0]=4 7883 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCN(C)C 7a_100009867695_100000755713 [0,1,0,0,0,1|2,0,0]=4 7884 B18R2.31386 Cc1ccc2ccc(cc2n1)OCOC(C)C 34a_100009867695_100000709892 [0,1,0,0,0,1|1,0,0]=3 7885 B18R2.31386 Cc1ccc2ccc(cc2n1)SCCC(C)C 62a_100000210312_100009817087 [0,1,0,0,0,1|1,1,0]=4 7886 B18R2.31386 Cc1ccc2ccc(cc2n1)SCCC(C)C 62a_100009817087_100000210312 [0,1,0,0,0,1|1,1,0]=4 7887 B18R2.31386 Cc1ccc2ccc(cc2n1)SCOC(C)C 62a_100000709892_100009817087 [0,1,0,0,0,1|1,1,0]=4 7888 B18R2.31386 Cc1ccc2ccc(cc2n1)SCOC(C)C 62a_100009817087_100000709892 [0,1,0,0,0,1|1,1,0]=4 7889 B18R2.31386 Cc1ccc2ncc(cc2c1)C=CCC(C)C 271570a_100016259101_100015841224 [0,1,0,0,0,1|2,0,0]=4 7890 B18R2.31386 Cc1ccc2ncc(cc2c1)SCCC(C)C 62a_100000210312_100015841224 [0,1,0,0,0,1|1,1,0]=4 7891 B18R2.31386 Cc1ccc2ncc(cc2c1)SCOC(C)C 62a_100000709892_100015841224 [0,1,0,0,0,1|1,1,0]=4 7892 B18R2.31386 Cc1cnc2ccc(cc2c1)C=CCC(C)C 271570a_100016259101_100009817055 [0,1,0,0,0,1|2,0,0]=4 7893 B18R2.31386 Cc1cnc2ccc(cc2c1)SCCC(C)C 62a_100000210312_100009817055 [0,1,0,0,0,1|1,1,0]=4 7894 B18R2.31386 Cc1cnc2ccc(cc2c1)SCOC(C)C 62a_100000709892_100009817055 [0,1,0,0,0,1|1,1,0]=4 7895 B18R2.59535 C=C(C)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000730704 [0,1,0,0,0,1|0,0,2]=4 7896 B18R2.59535 C=C(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000730704 [0,1,0,0,0,1|0,0,2]=4 7897 B18R2.59535 CC(=CCNc1ccc2c(cccc2c1)O)C 34a_100000035793_100000761012 [0,1,0,0,0,1|1,0,1]=4 7898 B18R2.59535 CC(=CCNc1ccc2c(cccc2c1)O)C 7a_100000035793_100000761012 [0,1,0,0,0,1|1,0,1]=4 7899 B18R2.59535 CC(=CCOc1ccc2c(=O)[nH]ccc2c1)C 34a_100009857879_100000761012 [0,1,0,0,0,1|1,0,1]=4 7900 B18R2.59535 CC(=CCOc1ccc2c(=O)[nH]ccc2c1)C 7a_100009857879_100000761012 [0,1,0,0,0,1|1,0,1]=4 7901 B18R2.59535 CC(=CCOc1ccc2c(=O)ccoc2c1)C 34a_200000065989_100000761012 [0,1,0,0,0,1|1,0,1]=4 7902 B18R2.59535 CC(=CCOc1ccc2c(=O)ccoc2c1)C 7a_200000065989_100000761012 [0,1,0,0,0,1|1,0,1]=4 7903 B18R2.59535 CC(=CCOc1ccc2c(cccc2c1)N)C 34a_100000034668_100000761012 [0,1,0,0,0,1|0,0,1]=3 7904 B18R2.59535 CC(=CCOc1ccc2c(cccc2c1)N)C 7a_100000034668_100000761012 [0,1,0,0,0,1|0,0,1]=3 7905 B18R2.59535 CC(=CCOc1ccc2c(ccnc2c1)Br)C 34a_100010204257_100000761012 [0,1,0,0,0,1|1,0,1]=4 7906 B18R2.59535 CC(=CCOc1ccc2c(ccnc2c1)Br)C 7a_100010204257_100000761012 [0,1,0,0,0,1|1,0,1]=4 7907 B18R2.59535 CC(=CCOc1ccc2c(ccnc2c1)C)C 34a_200009854145_100000761012 [0,1,0,0,0,1|1,0,1]=4 7908 B18R2.59535 CC(=CCOc1ccc2c(ccnc2c1)C)C 7a_200009854145_100000761012 [0,1,0,0,0,1|1,0,1]=4 7909 B18R2.59535 CC(=CCOc1ccc2c(ccnc2c1)Cl)C 34a_100000045489_100000761012 [0,1,0,0,0,1|1,0,1]=4 7910 B18R2.59535 CC(=CCOc1ccc2c(ccnc2c1)Cl)C 7a_100000045489_100000761012 [0,1,0,0,0,1|1,0,1]=4 7911 B18R2.59535 CC(=CCOc1ccc2c(nccc2c1)Cl)C 34a_100009867704_100000761012 [0,1,0,0,0,1|1,0,1]=4 7912 B18R2.59535 CC(=CCOc1ccc2c(nccc2c1)Cl)C 7a_100009867704_100000761012 [0,1,0,0,0,1|1,0,1]=4 7913 B18R2.59535 CC(=CCOc1cnc2c(cccc2c1)F)C 34a_100012184956_100000761012 [0,1,0,0,0,1|1,0,1]=4 7914 B18R2.59535 CC(=CCOc1cnc2c(cccc2c1)F)C 7a_100012184956_100000761012 [0,1,0,0,0,1|1,0,1]=4 7915 B18R2.59535 CC(=CCSc1ccc2c(cccc2c1)N)C 62a_100000761012_100010090037 [0,1,0,0,0,1|0,1,1]=4 7916 B18R2.59535 CC(=CCSc1ccc2c(cccc2c1)N)C 62a_100010090037_100000761012 [0,1,0,0,0,1|0,1,1]=4 7917 B18R2.59535 CC(=CCSc1ccc2c(cccc2c1)O)C 62a_100000761012_100010202202 [0,1,0,0,0,1|0,1,1]=4 7918 B18R2.59535 CC(=O)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000053229 [0,1,0,0,0,1|1,0,1]=4 7919 B18R2.59535 CC(=O)OCOc1ccc2c(cccc2c1)N 34a_100000034668_100009813279 [0,1,0,0,0,1|1,0,1]=4 7920 B18R2.59535 CC(C)CC=Cc1ccc2c(=O)ccoc2c1 271570a_100016259101_100010062221 [0,1,0,0,0,1|2,0,0]=4 7921 B18R2.59535 CC(C)CC=Cc1ccc2c(cccc2c1)N 271570a_100016259101_100010090037 [0,1,0,0,0,1|1,0,0]=3 7922 B18R2.59535 CC(C)CC=Cc1ccc2c(cccc2c1)O 271570a_100016259101_100010202202 [0,1,0,0,0,1|1,0,0]=3 7923 B18R2.59535 CC(C)CC=Cc1ccc2c(ccnc2c1)Cl 271570a_100016259101_100009996786 [0,1,0,0,0,1|2,0,0]=4 7924 B18R2.59535 CC(C)CC=Cc1ccc2c(ccnc2c1)N 271570a_100016259101_200009816820 [0,1,0,0,0,1|2,0,0]=4 7925 B18R2.59535 CC(C)CC=Cc1ccc2c(ccnc2c1)O 271570a_100016259101_100000756855 [0,1,0,0,0,1|2,0,0]=4 7926 B18R2.59535 CC(C)CC=Cc1ccc2c(nccc2c1)N 271570a_100016259101_100000732483 [0,1,0,0,0,1|2,0,0]=4 7927 B18R2.59535 CC(C)CC=Cc1ccc2c(nccc2c1)O 271570a_100016259101_100000760485 [0,1,0,0,0,1|2,0,0]=4 7928 B18R2.59535 CC(C)CC=Cc1cnc2c(cccc2c1)Cl 271570a_100016259101_100000759377 [0,1,0,0,0,1|2,0,0]=4 7929 B18R2.59535 CC(C)CC=Cc1cnc2c(cccc2c1)F 271570a_100016259101_100000049890 [0,1,0,0,0,1|2,0,0]=4 7930 B18R2.59535 CC(C)CC=Cc1cnc2c(cccc2c1)N 271570a_100016259101_100000702407 [0,1,0,0,0,1|2,0,0]=4 7931 B18R2.59535 CC(C)CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210312 [0,1,0,0,0,1|1,0,0]=3 7932 B18R2.59535 CC(C)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210626 [0,1,0,0,0,1|1,0,0]=3 7933 B18R2.59535 CC(C)CCNc1ccc2c(ccnc2c1)Cl 27a_100000210545_100009996786 [0,1,0,0,0,1|2,0,0]=4 7934 B18R2.59535 CC(C)CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210312 [0,1,0,0,0,1|1,0,0]=3 7935 B18R2.59535 CC(C)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210626 [0,1,0,0,0,1|1,0,0]=3 7936 B18R2.59535 CC(C)CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210312 [0,1,0,0,0,1|1,0,0]=3 7937 B18R2.59535 CC(C)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210626 [0,1,0,0,0,1|1,0,0]=3 7938 B18R2.59535 CC(C)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210312 [0,1,0,0,0,1|0,0,0]=2 7939 B18R2.59535 CC(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210626 [0,1,0,0,0,1|0,0,0]=2 7940 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210312 [0,1,0,0,0,1|1,0,0]=3 7941 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210626 [0,1,0,0,0,1|1,0,0]=3 7942 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210312 [0,1,0,0,0,1|1,0,0]=3 7943 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210626 [0,1,0,0,0,1|1,0,0]=3 7944 B18R2.59535 CC(C)CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210312 [0,1,0,0,0,1|1,0,0]=3 7945 B18R2.59535 CC(C)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210626 [0,1,0,0,0,1|1,0,0]=3 7946 B18R2.59535 CC(C)CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210312 [0,1,0,0,0,1|1,0,0]=3 7947 B18R2.59535 CC(C)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210626 [0,1,0,0,0,1|1,0,0]=3 7948 B18R2.59535 CC(C)CCSc1ccc2c(=O)ccoc2c1 62a_100000210312_100010062221 [0,1,0,0,0,1|1,1,0]=4 7949 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)N 62a_100000210312_100010090037 [0,1,0,0,0,1|0,1,0]=3 7950 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210312 [0,1,0,0,0,1|0,1,0]=3 7951 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)O 62a_100000210312_100010202202 [0,1,0,0,0,1|0,1,0]=3 7952 B18R2.59535 CC(C)CCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210312 [0,1,0,0,0,1|1,1,0]=4 7953 B18R2.59535 CC(C)CCSc1ccc2c(ccnc2c1)O 62a_100000210312_100000756855 [0,1,0,0,0,1|1,1,0]=4 7954 B18R2.59535 CC(C)CCSc1ccc2c(nccc2c1)N 62a_100000210312_100000732483 [0,1,0,0,0,1|1,1,0]=4 7955 B18R2.59535 CC(C)CCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210312 [0,1,0,0,0,1|1,1,0]=4 7956 B18R2.59535 CC(C)CCSc1ccc2c(nccc2c1)O 62a_100000210312_100000760485 [0,1,0,0,0,1|1,1,0]=4 7957 B18R2.59535 CC(C)CCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210312 [0,1,0,0,0,1|1,1,0]=4 7958 B18R2.59535 CC(C)CCSc1cnc2c(cccc2c1)F 62a_100000210312_100000049890 [0,1,0,0,0,1|1,1,0]=4 7959 B18R2.59535 CC(C)CCSc1cnc2c(cccc2c1)N 62a_100000210312_100000702407 [0,1,0,0,0,1|1,1,0]=4 7960 B18R2.59535 CC(C)CNCc1ccc2c(ccnc2c1)Br 26a_100000210953_100010204257 [0,1,0,0,0,1|2,0,0]=4 7961 B18R2.59535 CC(C)OCNc1ccc2c(cccc2c1)O 34a_100000035793_100000709892 [0,1,0,0,0,1|1,0,0]=3 7962 B18R2.59535 CC(C)OCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000709892 [0,1,0,0,0,1|1,0,0]=3 7963 B18R2.59535 CC(C)OCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000709892 [0,1,0,0,0,1|1,0,0]=3 7964 B18R2.59535 CC(C)OCOc1ccc2c(cccc2c1)N 34a_100000034668_100000709892 [0,1,0,0,0,1|0,0,0]=2 7965 B18R2.59535 CC(C)OCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000709892 [0,1,0,0,0,1|1,0,0]=3 7966 B18R2.59535 CC(C)OCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000709892 [0,1,0,0,0,1|1,0,0]=3 7967 B18R2.59535 CC(C)OCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000709892 [0,1,0,0,0,1|1,0,0]=3 7968 B18R2.59535 CC(C)OCOc1cnc2c(cccc2c1)F 34a_100012184956_100000709892 [0,1,0,0,0,1|1,0,0]=3 7969 B18R2.59535 CC(C)OCSc1ccc2c(=O)ccoc2c1 62a_100000709892_100010062221 [0,1,0,0,0,1|1,1,0]=4 7970 B18R2.59535 CC(C)OCSc1ccc2c(cccc2c1)N 62a_100000709892_100010090037 [0,1,0,0,0,1|0,1,0]=3 7971 B18R2.59535 CC(C)OCSc1ccc2c(cccc2c1)N 62a_100010090037_100000709892 [0,1,0,0,0,1|0,1,0]=3 7972 B18R2.59535 CC(C)OCSc1ccc2c(cccc2c1)O 62a_100000709892_100010202202 [0,1,0,0,0,1|0,1,0]=3 7973 B18R2.59535 CC(C)OCSc1ccc2c(ccnc2c1)Cl 62a_100000709892_100009996786 [0,1,0,0,0,1|1,1,0]=4 7974 B18R2.59535 CC(C)OCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000709892 [0,1,0,0,0,1|1,1,0]=4 7975 B18R2.59535 CC(C)OCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000709892 [0,1,0,0,0,1|1,1,0]=4 7976 B18R2.59535 CC(C)OCSc1ccc2c(ccnc2c1)O 62a_100000709892_100000756855 [0,1,0,0,0,1|1,1,0]=4 7977 B18R2.59535 CC(C)OCSc1ccc2c(nccc2c1)N 62a_100000709892_100000732483 [0,1,0,0,0,1|1,1,0]=4 7978 B18R2.59535 CC(C)OCSc1ccc2c(nccc2c1)N 62a_100000732483_100000709892 [0,1,0,0,0,1|1,1,0]=4 7979 B18R2.59535 CC(C)OCSc1ccc2c(nccc2c1)O 62a_100000709892_100000760485 [0,1,0,0,0,1|1,1,0]=4 7980 B18R2.59535 CC(C)OCSc1cnc2c(cccc2c1)Br 62a_100000709892_100010204298 [0,1,0,0,0,1|1,1,0]=4 7981 B18R2.59535 CC(C)OCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000709892 [0,1,0,0,0,1|1,1,0]=4 7982 B18R2.59535 CC(C)OCSc1cnc2c(cccc2c1)Cl 62a_100000709892_100000759377 [0,1,0,0,0,1|1,1,0]=4 7983 B18R2.59535 CC(C)OCSc1cnc2c(cccc2c1)F 62a_100000049890_100000709892 [0,1,0,0,0,1|1,1,0]=4 7984 B18R2.59535 CC(C)OCSc1cnc2c(cccc2c1)F 62a_100000709892_100000049890 [0,1,0,0,0,1|1,1,0]=4 7985 B18R2.59535 CC(C)OCSc1cnc2c(cccc2c1)N 62a_100000709892_100000702407 [0,1,0,0,0,1|1,1,0]=4 7986 B18R2.59535 CC(O)CCNc1ccc2c(cccc2c1)O 34a_100000035793_100012276601 [0,1,0,0,0,1|2,0,0]=4 7987 B18R2.59535 CC(O)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100012276601 [0,1,0,0,0,1|2,0,0]=4 7988 B18R2.59535 CC(O)CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100012276601 [0,1,0,0,0,1|2,0,0]=4 7989 B18R2.59535 CC(O)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100012276601 [0,1,0,0,0,1|2,0,0]=4 7990 B18R2.59535 CC(O)CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100012276601 [0,1,0,0,0,1|2,0,0]=4 7991 B18R2.59535 CC(O)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100012276601 [0,1,0,0,0,1|2,0,0]=4 7992 B18R2.59535 CC(O)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100012276601 [0,1,0,0,0,1|1,0,0]=3 7993 B18R2.59535 CC(O)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100012276601 [0,1,0,0,0,1|1,0,0]=3 7994 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100012276601 [0,1,0,0,0,1|2,0,0]=4 7995 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100012276601 [0,1,0,0,0,1|2,0,0]=4 7996 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100012276601 [0,1,0,0,0,1|2,0,0]=4 7997 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100012276601 [0,1,0,0,0,1|2,0,0]=4 7998 B18R2.59535 CC(O)CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100012276601 [0,1,0,0,0,1|2,0,0]=4 7999 B18R2.59535 CC(O)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100012276601 [0,1,0,0,0,1|2,0,0]=4 8000 B18R2.59535 CC(O)CCOc1cnc2c(cccc2c1)F 34a_100012184956_100012276601 [0,1,0,0,0,1|2,0,0]=4 8001 B18R2.59535 CC(O)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100012276601 [0,1,0,0,0,1|2,0,0]=4 8002 B18R2.59535 CC(O)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100012276601 [0,1,0,0,0,1|1,1,0]=4 8003 B18R2.59535 CC(O)CCSc1ccc2c(cccc2c1)N 62a_100012276601_100010090037 [0,1,0,0,0,1|1,1,0]=4 8004 B18R2.59535 CC(O)CCSc1ccc2c(cccc2c1)O 62a_100012276601_100010202202 [0,1,0,0,0,1|1,1,0]=4 8005 B18R2.59535 CN(C)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000755713 [0,1,0,0,0,1|2,0,0]=4 8006 B18R2.59535 CN(C)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000755713 [0,1,0,0,0,1|2,0,0]=4 8007 B18R2.59535 CN(C)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000755713 [0,1,0,0,0,1|2,0,0]=4 8008 B18R2.59535 CN(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000755713 [0,1,0,0,0,1|1,0,0]=3 8009 B18R2.59535 CN(C)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000755713 [0,1,0,0,0,1|2,0,0]=4 8010 B18R2.59535 CN(C)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000755713 [0,1,0,0,0,1|2,0,0]=4 8011 B18R2.59535 CN(C)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000755713 [0,1,0,0,0,1|2,0,0]=4 8012 B18R2.59535 CN(C)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000755713 [0,1,0,0,0,1|2,0,0]=4 8013 B18R2.59535 CN(C)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000755713 [0,1,0,0,0,1|1,1,0]=4 8014 B18R2.59535 Cc1cccc2c1ncc(c2)C=CCC(C)C 271570a_100016259101_100009829671 [0,1,0,0,0,1|2,0,0]=4 8015 B18R2.59535 Cc1cccc2c1ncc(c2)SCCC(C)C 62a_100000210312_100009829671 [0,1,0,0,0,1|1,1,0]=4 8016 B18R2.59535 Cc1cccc2c1ncc(c2)SCOC(C)C 62a_100000709892_100009829671 [0,1,0,0,0,1|1,1,0]=4 8017 B18R2.59535 Cc1ccnc2c1ccc(c2)C=CCC(C)C 271570a_100016259101_100010132309 [0,1,0,0,0,1|2,0,0]=4 8018 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)C 34a_200009854145_100000210312 [0,1,0,0,0,1|1,0,0]=3 8019 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)C 7a_200009854145_100000210626 [0,1,0,0,0,1|1,0,0]=3 8020 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)O 34a_200009854145_100012276601 [0,1,0,0,0,1|2,0,0]=4 8021 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)O 7a_200009854145_100012276601 [0,1,0,0,0,1|2,0,0]=4 8022 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCN(C)C 7a_200009854145_100000755713 [0,1,0,0,0,1|2,0,0]=4 8023 B18R2.59535 Cc1ccnc2c1ccc(c2)OCOC(C)C 34a_200009854145_100000709892 [0,1,0,0,0,1|1,0,0]=3 8024 B18R2.59535 Cc1ccnc2c1ccc(c2)SCCC(C)C 62a_100000210312_100010132309 [0,1,0,0,0,1|1,1,0]=4 8025 B18R2.59535 Cc1ccnc2c1ccc(c2)SCCC(C)C 62a_100010132309_100000210312 [0,1,0,0,0,1|1,1,0]=4 8026 B18R2.59535 Cc1ccnc2c1ccc(c2)SCOC(C)C 62a_100000709892_100010132309 [0,1,0,0,0,1|1,1,0]=4 8027 B18R2.59535 Cc1ccnc2c1ccc(c2)SCOC(C)C 62a_100010132309_100000709892 [0,1,0,0,0,1|1,1,0]=4 8028 B18R2.63530 C=C(C)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000730704 [0,1,0,0,0,1|0,0,2]=4 8029 B18R2.63530 C=C(C)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000730704 [0,1,0,0,0,1|0,0,2]=4 8030 B18R2.63530 CC(=CCNc1cc(c2ccccc2c1)Br)C 34a_100010089974_100000761012 [0,1,0,0,0,1|1,0,1]=4 8031 B18R2.63530 CC(=CCNc1cc(c2ccccc2c1)Br)C 7a_100010089974_100000761012 [0,1,0,0,0,1|1,0,1]=4 8032 B18R2.63530 CC(=CCOc1cc(c2ccccc2c1)Br)C 34a_100010001680_100000761012 [0,1,0,0,0,1|0,0,1]=3 8033 B18R2.63530 CC(=CCOc1cc(c2ccccc2c1)Br)C 7a_100010001680_100000761012 [0,1,0,0,0,1|0,0,1]=3 8034 B18R2.63530 CC(=CCOc1cc(c2cnccc2c1)Br)C 34a_100011009069_100000761012 [0,1,0,0,0,1|1,0,1]=4 8035 B18R2.63530 CC(=CCOc1cc(c2cnccc2c1)Br)C 7a_100011009069_100000761012 [0,1,0,0,0,1|1,0,1]=4 8036 B18R2.63530 CC(=CCOc1cc(c2ncccc2c1)Cl)C 34a_100000097192_100000761012 [0,1,0,0,0,1|1,0,1]=4 8037 B18R2.63530 CC(=CCOc1cc(c2ncccc2c1)Cl)C 7a_100000097192_100000761012 [0,1,0,0,0,1|1,0,1]=4 8038 B18R2.63530 CC(=CCOc1cc(c2ncccc2c1)F)C 34a_100009888031_100000761012 [0,1,0,0,0,1|1,0,1]=4 8039 B18R2.63530 CC(=CCOc1cc(c2ncccc2c1)F)C 7a_100009888031_100000761012 [0,1,0,0,0,1|1,0,1]=4 8040 B18R2.63530 CC(=CCOc1cc(c2ncccc2c1)N)C 34a_100000083691_100000761012 [0,1,0,0,0,1|1,0,1]=4 8041 B18R2.63530 CC(=CCSc1cc(c2ccccc2c1)N)C 62a_100000761012_100010171453 [0,1,0,0,0,1|0,1,1]=4 8042 B18R2.63530 CC(=CCSc1cc(c2ccccc2c1)N)C 62a_100010171453_100000761012 [0,1,0,0,0,1|0,1,1]=4 8043 B18R2.63530 CC(=CCSc1cc(c2ccccc2c1)O)C 62a_100000761012_100010089979 [0,1,0,0,0,1|0,1,1]=4 8044 B18R2.63530 CC(=O)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000053229 [0,1,0,0,0,1|1,0,1]=4 8045 B18R2.63530 CC(=O)OCOc1cc(c2ccccc2c1)Br 34a_100010001680_100009813279 [0,1,0,0,0,1|1,0,1]=4 8046 B18R2.63530 CC(C)CC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016259101_100000090176 [0,1,0,0,0,1|2,0,0]=4 8047 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2c1)N 271570a_100016259101_100010171453 [0,1,0,0,0,1|1,0,0]=3 8048 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2c1)O 271570a_100016259101_100010089979 [0,1,0,0,0,1|1,0,0]=3 8049 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2n1)N 271570a_100016259101_100010197925 [0,1,0,0,0,1|2,0,0]=4 8050 B18R2.63530 CC(C)CC=Cc1cc(c2cccnc2c1)N 271570a_100016259101_200010263263 [0,1,0,0,0,1|2,0,0]=4 8051 B18R2.63530 CC(C)CC=Cc1cc(c2cnccc2c1)F 271570a_100016259101_100011068762 [0,1,0,0,0,1|2,0,0]=4 8052 B18R2.63530 CC(C)CC=Cc1cc(c2ncccc2c1)Cl 271570a_100016259101_200010369337 [0,1,0,0,0,1|2,0,0]=4 8053 B18R2.63530 CC(C)CC=Cc1cc(c2ncccc2c1)F 271570a_100016259101_100010234705 [0,1,0,0,0,1|2,0,0]=4 8054 B18R2.63530 CC(C)CC=Cc1cc(c2ncccc2c1)N 271570a_100016259101_100009814519 [0,1,0,0,0,1|2,0,0]=4 8055 B18R2.63530 CC(C)CC=Cc1cc(c2ncccc2c1)O 271570a_100016259101_100010248853 [0,1,0,0,0,1|2,0,0]=4 8056 B18R2.63530 CC(C)CC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016259101_200010000521 [0,1,0,0,0,1|2,0,0]=4 8057 B18R2.63530 CC(C)CC=Cc1cc2ccccc2c(n1)N 271570a_100016259101_100009957331 [0,1,0,0,0,1|2,0,0]=4 8058 B18R2.63530 CC(C)CCNc1cc(c2cnccc2c1)F 27a_100000210545_100011068762 [0,1,0,0,0,1|2,0,0]=4 8059 B18R2.63530 CC(C)CCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210312 [0,1,0,0,0,1|2,0,0]=4 8060 B18R2.63530 CC(C)CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210312 [0,1,0,0,0,1|2,0,0]=4 8061 B18R2.63530 CC(C)CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210312 [0,1,0,0,0,1|1,0,0]=3 8062 B18R2.63530 CC(C)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210626 [0,1,0,0,0,1|1,0,0]=3 8063 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210312 [0,1,0,0,0,1|1,0,0]=3 8064 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210626 [0,1,0,0,0,1|1,0,0]=3 8065 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210312 [0,1,0,0,0,1|1,0,0]=3 8066 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210626 [0,1,0,0,0,1|1,0,0]=3 8067 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210312 [0,1,0,0,0,1|1,0,0]=3 8068 B18R2.63530 CC(C)CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210312_100000090176 [0,1,0,0,0,1|1,1,0]=4 8069 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)N 62a_100000210312_100010171453 [0,1,0,0,0,1|0,1,0]=3 8070 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210312 [0,1,0,0,0,1|0,1,0]=3 8071 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)O 62a_100000210312_100010089979 [0,1,0,0,0,1|0,1,0]=3 8072 B18R2.63530 CC(C)CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210312 [0,1,0,0,0,1|1,1,0]=4 8073 B18R2.63530 CC(C)CCSc1cc(c2cccnc2c1)N 62a_100000210312_200010263263 [0,1,0,0,0,1|1,1,0]=4 8074 B18R2.63530 CC(C)CCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210312 [0,1,0,0,0,1|1,1,0]=4 8075 B18R2.63530 CC(C)CCSc1cc(c2cnccc2c1)F 62a_100000210312_100011068762 [0,1,0,0,0,1|1,1,0]=4 8076 B18R2.63530 CC(C)CCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210312 [0,1,0,0,0,1|1,1,0]=4 8077 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)F 62a_100000210312_100010234705 [0,1,0,0,0,1|1,1,0]=4 8078 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210312 [0,1,0,0,0,1|1,1,0]=4 8079 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)N 62a_100000210312_100009814519 [0,1,0,0,0,1|1,1,0]=4 8080 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)O 62a_100000210312_100010248853 [0,1,0,0,0,1|1,1,0]=4 8081 B18R2.63530 CC(C)CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210312_200015811170 [0,1,0,0,0,1|1,1,0]=4 8082 B18R2.63530 CC(C)CCSc1cc2ccccc2c(n1)N 62a_100000210312_100009957331 [0,1,0,0,0,1|1,1,0]=4 8083 B18R2.63530 CC(C)CCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210312 [0,1,0,0,0,1|1,1,0]=4 8084 B18R2.63530 CC(C)CNCc1cc(c2ccccc2c1)Br 26a_100000210953_100010001680 [0,1,0,0,0,1|1,0,0]=3 8085 B18R2.63530 CC(C)CNCc1cc(c2cnccc2c1)Br 26a_100000210953_100011009069 [0,1,0,0,0,1|2,0,0]=4 8086 B18R2.63530 CC(C)COCc1cc(=O)n2ccccc2n1 34a_100000210257_100000017730 [0,1,0,0,0,1|2,0,0]=4 8087 B18R2.63530 CC(C)OCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000709892 [0,1,0,0,0,1|1,0,0]=3 8088 B18R2.63530 CC(C)OCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000709892 [0,1,0,0,0,1|2,0,0]=4 8089 B18R2.63530 CC(C)OCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000709892 [0,1,0,0,0,1|2,0,0]=4 8090 B18R2.63530 CC(C)OCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000709892 [0,1,0,0,0,1|0,0,0]=2 8091 B18R2.63530 CC(C)OCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000709892 [0,1,0,0,0,1|1,0,0]=3 8092 B18R2.63530 CC(C)OCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000709892 [0,1,0,0,0,1|1,0,0]=3 8093 B18R2.63530 CC(C)OCOc1cc(c2ncccc2c1)F 34a_100009888031_100000709892 [0,1,0,0,0,1|1,0,0]=3 8094 B18R2.63530 CC(C)OCOc1cc(c2ncccc2c1)N 34a_100000083691_100000709892 [0,1,0,0,0,1|1,0,0]=3 8095 B18R2.63530 CC(C)OCSc1cc(=O)c2ccccc2[nH]1 62a_100000709892_100000090176 [0,1,0,0,0,1|1,1,0]=4 8096 B18R2.63530 CC(C)OCSc1cc(c2ccccc2c1)N 62a_100000709892_100010171453 [0,1,0,0,0,1|0,1,0]=3 8097 B18R2.63530 CC(C)OCSc1cc(c2ccccc2c1)N 62a_100010171453_100000709892 [0,1,0,0,0,1|0,1,0]=3 8098 B18R2.63530 CC(C)OCSc1cc(c2ccccc2c1)O 62a_100000709892_100010089979 [0,1,0,0,0,1|0,1,0]=3 8099 B18R2.63530 CC(C)OCSc1cc(c2ccccc2n1)N 62a_100010197925_100000709892 [0,1,0,0,0,1|1,1,0]=4 8100 B18R2.63530 CC(C)OCSc1cc(c2cccnc2c1)N 62a_100000709892_200010263263 [0,1,0,0,0,1|1,1,0]=4 8101 B18R2.63530 CC(C)OCSc1cc(c2cccnc2c1)N 62a_200010263263_100000709892 [0,1,0,0,0,1|1,1,0]=4 8102 B18R2.63530 CC(C)OCSc1cc(c2cnccc2c1)F 62a_100000709892_100011068762 [0,1,0,0,0,1|1,1,0]=4 8103 B18R2.63530 CC(C)OCSc1cc(c2cnccc2c1)F 62a_100011068762_100000709892 [0,1,0,0,0,1|1,1,0]=4 8104 B18R2.63530 CC(C)OCSc1cc(c2ncccc2c1)Cl 62a_100000709892_200010369337 [0,1,0,0,0,1|1,1,0]=4 8105 B18R2.63530 CC(C)OCSc1cc(c2ncccc2c1)F 62a_100000709892_100010234705 [0,1,0,0,0,1|1,1,0]=4 8106 B18R2.63530 CC(C)OCSc1cc(c2ncccc2c1)F 62a_100010234705_100000709892 [0,1,0,0,0,1|1,1,0]=4 8107 B18R2.63530 CC(C)OCSc1cc(c2ncccc2c1)N 62a_100000709892_100009814519 [0,1,0,0,0,1|1,1,0]=4 8108 B18R2.63530 CC(C)OCSc1cc(c2ncccc2c1)O 62a_100000709892_100010248853 [0,1,0,0,0,1|1,1,0]=4 8109 B18R2.63530 CC(C)OCSc1cc2ccccc2c(=O)[nH]1 62a_100000709892_200015811170 [0,1,0,0,0,1|1,1,0]=4 8110 B18R2.63530 CC(C)OCSc1cc2ccccc2c(n1)N 62a_100000709892_100009957331 [0,1,0,0,0,1|1,1,0]=4 8111 B18R2.63530 CC(C)OCSc1cc2ccccc2c(n1)N 62a_100009957331_100000709892 [0,1,0,0,0,1|1,1,0]=4 8112 B18R2.63530 CC(O)CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100012276601 [0,1,0,0,0,1|2,0,0]=4 8113 B18R2.63530 CC(O)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100012276601 [0,1,0,0,0,1|2,0,0]=4 8114 B18R2.63530 CC(O)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100012276601 [0,1,0,0,0,1|1,0,0]=3 8115 B18R2.63530 CC(O)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100012276601 [0,1,0,0,0,1|1,0,0]=3 8116 B18R2.63530 CC(O)CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100012276601 [0,1,0,0,0,1|2,0,0]=4 8117 B18R2.63530 CC(O)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100012276601 [0,1,0,0,0,1|2,0,0]=4 8118 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100012276601 [0,1,0,0,0,1|2,0,0]=4 8119 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100012276601 [0,1,0,0,0,1|2,0,0]=4 8120 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)F 34a_100009888031_100012276601 [0,1,0,0,0,1|2,0,0]=4 8121 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100012276601 [0,1,0,0,0,1|2,0,0]=4 8122 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)N 34a_100000083691_100012276601 [0,1,0,0,0,1|2,0,0]=4 8123 B18R2.63530 CC(O)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100012276601 [0,1,0,0,0,1|1,1,0]=4 8124 B18R2.63530 CC(O)CCSc1cc(c2ccccc2c1)N 62a_100012276601_100010171453 [0,1,0,0,0,1|1,1,0]=4 8125 B18R2.63530 CC(O)CCSc1cc(c2ccccc2c1)O 62a_100012276601_100010089979 [0,1,0,0,0,1|1,1,0]=4 8126 B18R2.63530 CN(C)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000755713 [0,1,0,0,0,1|2,0,0]=4 8127 B18R2.63530 CN(C)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000755713 [0,1,0,0,0,1|1,0,0]=3 8128 B18R2.63530 CN(C)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000755713 [0,1,0,0,0,1|2,0,0]=4 8129 B18R2.63530 CN(C)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000755713 [0,1,0,0,0,1|2,0,0]=4 8130 B18R2.63530 CN(C)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000755713 [0,1,0,0,0,1|2,0,0]=4 8131 B18R2.63530 CN(C)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000755713 [0,1,0,0,0,1|1,1,0]=4 8132 B18R2.63530 Cc1cc(cc2c1nccc2)C=CCC(C)C 271570a_100016259101_100010130319 [0,1,0,0,0,1|2,0,0]=4 8133 B18R2.63530 Cc1cc(cc2c1nccc2)SCCC(C)C 62a_100000210312_100010130319 [0,1,0,0,0,1|1,1,0]=4 8134 B18R2.63530 Cc1cc(cc2c1nccc2)SCOC(C)C 62a_100000709892_100010130319 [0,1,0,0,0,1|1,1,0]=4 8135 B18R2.63530 Cc1cc(nc2c1cccc2)C=CCC(C)C 271570a_100016259101_100012354972 [0,1,0,0,0,1|2,0,0]=4 8136 B18R2.63530 Cc1cc(nc2c1cccc2)NCCC(C)C 27a_100000210545_100000184993 [0,1,0,0,0,1|2,0,0]=4 8137 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)C 62a_100000210312_100000184993 [0,1,0,0,0,1|1,1,0]=4 8138 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)C 62a_100012354972_100000210312 [0,1,0,0,0,1|1,1,0]=4 8139 B18R2.63530 Cc1cc(nc2c1cccc2)SCOC(C)C 62a_100000709892_100000184993 [0,1,0,0,0,1|1,1,0]=4 8140 B18R2.63530 Cc1cc(nc2c1cccc2)SCOC(C)C 62a_100012354972_100000709892 [0,1,0,0,0,1|1,1,0]=4 8141 B18R2.63530 Cc1nc(nc2c1cccc2)COCC(C)C 34a_100000210257_100000736427 [0,1,0,0,0,1|2,0,0]=4 8142 B18R2.71948 CC(C)CC(=O)Cc1cc2ccccc2cn1 1458a_100000210554_100009869231 [0,1,0,0,0,1|2,0,0]=4 8143 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210624 [0,1,0,0,0,1|1,0,0]=3 8144 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000210554_100011216711 [0,1,0,0,0,1|1,0,0]=3 8145 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2n1 1458a_100000210554_100000737579 [0,1,0,0,0,1|2,0,0]=4 8146 B18R2.71948 CC(C)CC(=O)Cc1ccc2cnccc2c1 1458a_100000210554_100020605334 [0,1,0,0,0,1|2,0,0]=4 8147 B18R2.71948 CC(C)CC(=O)Cc1ccc2ncccc2c1 1458a_100000210554_100000703657 [0,1,0,0,0,1|2,0,0]=4 8148 B18R2.71948 CC(C)CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210624 [0,1,0,0,0,1|2,0,0]=4 8149 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210554 [0,1,0,0,0,1|1,0,0]=3 8150 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210554 [0,1,0,0,0,1|1,0,0]=3 8151 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210554 [0,1,0,0,0,1|1,0,0]=3 8152 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210554 [0,1,0,0,0,1|1,0,0]=3 8153 B18R2.71948 CC(C)CC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000210554 [0,1,0,0,0,1|2,0,0]=4 8154 B18R2.71948 CC(C)CC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000210554 [0,1,0,0,0,1|2,0,0]=4 8155 B18R2.71948 CC(C)CC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000210554 [0,1,0,0,0,1|2,0,0]=4 8156 B18R2.71948 CC(C)CC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000210554 [0,1,0,0,0,1|2,0,0]=4 8157 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100000210554 [0,1,0,0,0,1|2,0,0]=4 8158 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000210554 [0,1,0,0,0,1|2,0,0]=4 8159 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000210554 [0,1,0,0,0,1|2,0,0]=4 8160 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100000210554 [0,1,0,0,0,1|2,0,0]=4 8161 B18R2.71948 CC(C)CC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100000210554 [0,1,0,0,0,1|2,0,0]=4 8162 B18R2.71948 CC(C)CC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000210554 [0,1,0,0,0,1|2,0,0]=4 8163 B18R2.71948 CC(C)CC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000210554 [0,1,0,0,0,1|2,0,0]=4 8164 B18R2.71948 CC(C)CC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100000210554 [0,1,0,0,0,1|2,0,0]=4 8165 B18R2.71948 CC(C)CC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000210554 [0,1,0,0,0,1|2,0,0]=4 8166 B18R2.71948 CC(C)CC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000210554 [0,1,0,0,0,1|2,0,0]=4 8167 B18R2.71948 CC(C)CC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000210554 [0,1,0,0,0,1|2,0,0]=4 8168 B18R2.71948 CC(C)CC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000210554 [0,1,0,0,0,1|2,0,0]=4 8169 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000731052 [0,1,0,0,0,1|1,0,0]=3 8170 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000731052 [0,1,0,0,0,1|1,0,0]=3 8171 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2n1 27a_100000692259_100011291633 [0,1,0,0,0,1|2,0,0]=4 8172 B18R2.71948 CC(C)CC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000731052 [0,1,0,0,0,1|2,0,0]=4 8173 B18R2.71948 CC(C)CC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000731052 [0,1,0,0,0,1|2,0,0]=4 8174 B18R2.71948 CC(C)CC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000731052 [0,1,0,0,0,1|2,0,0]=4 8175 B18R2.71948 CC(C)CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000731052 [0,1,0,0,0,1|0,0,0]=2 8176 B18R2.71948 CC(C)CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000731052 [0,1,0,0,0,1|0,0,0]=2 8177 B18R2.71948 CC(C)CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000731052 [0,1,0,0,0,1|1,0,0]=3 8178 B18R2.71948 CC(C)CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000731052 [0,1,0,0,0,1|1,0,0]=3 8179 B18R2.71948 CC(C)CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000731052 [0,1,0,0,0,1|1,0,0]=3 8180 B18R2.71948 CC(C)CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000731052 [0,1,0,0,0,1|1,0,0]=3 8181 B18R2.71948 CC(C)CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000731052 [0,1,0,0,0,1|1,0,0]=3 8182 B18R2.71948 CC(C)CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000731052 [0,1,0,0,0,1|1,0,0]=3 8183 B18R2.71948 CC(C)CC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000731052 [0,1,0,0,0,1|2,0,0]=4 8184 B18R2.71948 CC(C)CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000731052 [0,1,0,0,0,1|1,0,0]=3 8185 B18R2.71948 CC(C)CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000731052 [0,1,0,0,0,1|1,0,0]=3 8186 B18R2.71948 CC(C)CC(C)Sc1cc2ccccc2cn1 62a_100000731052_100000047361 [0,1,0,0,0,1|1,1,0]=4 8187 B18R2.71948 CC(C)CC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000731052 [0,1,0,0,0,1|1,1,0]=4 8188 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2n1 62a_100000731052_100011291633 [0,1,0,0,0,1|1,1,0]=4 8189 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000731052 [0,1,0,0,0,1|1,1,0]=4 8190 B18R2.71948 CC(C)CC(C)Sc1ccc2cccnc2c1 62a_100000731052_100009816655 [0,1,0,0,0,1|1,1,0]=4 8191 B18R2.71948 CC(C)CC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000731052 [0,1,0,0,0,1|1,1,0]=4 8192 B18R2.71948 CC(C)CC(C)Sc1ccc2ccncc2c1 62a_100000731052_100000686496 [0,1,0,0,0,1|1,1,0]=4 8193 B18R2.71948 CC(C)CC(C)Sc1ccc2cnccc2c1 62a_100000731052_100009816743 [0,1,0,0,0,1|1,1,0]=4 8194 B18R2.71948 CC(C)CC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000731052 [0,1,0,0,0,1|1,1,0]=4 8195 B18R2.71948 CC(C)CC(C)Sc1ccc2ncccc2c1 62a_100000731052_100011215947 [0,1,0,0,0,1|1,1,0]=4 8196 B18R2.71948 CC(C)CC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000731052 [0,1,0,0,0,1|1,1,0]=4 8197 B18R2.71948 CC(C)CC(C)Sc1cnc2ccccc2c1 62a_100000731052_100000737414 [0,1,0,0,0,1|1,1,0]=4 8198 B18R2.71948 CC(C)CN(C)Cc1cc2ccccc2cn1 2230a_100000747067_100009869231 [0,1,0,0,0,1|2,0,0]=4 8199 B18R2.71948 CC(C)CN(C)Cc1cc2ccccc2cn1 269982a_100000747067_100009869231 [0,1,0,0,0,1|2,0,0]=4 8200 B18R2.71948 CC(C)CN(C)Cc1cc2ccccc2cn1 270004a_100000747067_100000059776 [0,1,0,0,0,1|2,0,0]=4 8201 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210760 [0,1,0,0,0,1|1,0,0]=3 8202 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 2230a_100000747067_100011216711 [0,1,0,0,0,1|1,0,0]=3 8203 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000210624 [0,1,0,0,0,1|1,0,0]=3 8204 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 269982a_100000747067_100011216711 [0,1,0,0,0,1|1,0,0]=3 8205 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 270004a_100000185194_100000210432 [0,1,0,0,0,1|1,0,0]=3 8206 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 270004a_100000747067_100000211584 [0,1,0,0,0,1|1,0,0]=3 8207 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2n1 2230a_100000747067_100000737579 [0,1,0,0,0,1|2,0,0]=4 8208 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2n1 270004a_100000747067_100000759686 [0,1,0,0,0,1|2,0,0]=4 8209 B18R2.71948 CC(C)CN(C)Cc1ccc2cccnc2c1 270004a_100000747067_100011784159 [0,1,0,0,0,1|2,0,0]=4 8210 B18R2.71948 CC(C)CN(C)Cc1ccc2cnccc2c1 2230a_100000747067_100020605334 [0,1,0,0,0,1|2,0,0]=4 8211 B18R2.71948 CC(C)CN(C)Cc1ccc2cnccc2c1 269982a_100000747067_100020605334 [0,1,0,0,0,1|2,0,0]=4 8212 B18R2.71948 CC(C)CN(C)Cc1ccc2cnccc2c1 270004a_100000747067_100000068276 [0,1,0,0,0,1|2,0,0]=4 8213 B18R2.71948 CC(C)CN(C)Cc1ccc2ncccc2c1 2230a_100000207558_100000210760 [0,1,0,0,0,1|2,0,0]=4 8214 B18R2.71948 CC(C)CN(C)Cc1ccc2ncccc2c1 2230a_100000747067_100000703657 [0,1,0,0,0,1|2,0,0]=4 8215 B18R2.71948 CC(C)CN(C)Cc1ccc2ncccc2c1 269982a_100000207558_100000210624 [0,1,0,0,0,1|2,0,0]=4 8216 B18R2.71948 CC(C)CN(C)Cc1ccc2ncccc2c1 269982a_100000747067_100000703657 [0,1,0,0,0,1|2,0,0]=4 8217 B18R2.71948 CC(C)CN(C)Cc1ccc2ncccc2c1 270004a_100000207558_100000210432 [0,1,0,0,0,1|2,0,0]=4 8218 B18R2.71948 CC(C)CN(C)Cc1ccc2ncccc2c1 270004a_100000747067_100000211315 [0,1,0,0,0,1|2,0,0]=4 8219 B18R2.71948 CC(C)CN(C)Cc1cnc2ccccc2c1 2230a_100011875994_100000210760 [0,1,0,0,0,1|2,0,0]=4 8220 B18R2.71948 CC(C)CN(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000210624 [0,1,0,0,0,1|2,0,0]=4 8221 B18R2.71948 CC(C)CN(C)Cc1cnc2ccccc2c1 270004a_100000747067_100000750898 [0,1,0,0,0,1|2,0,0]=4 8222 B18R2.71948 CC(C)CN(C)Cc1cnc2ccccc2c1 270004a_100011875994_100000210432 [0,1,0,0,0,1|2,0,0]=4 8223 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 11a_100138425928_100000181716 [0,1,0,0,0,1|1,0,1]=4 8224 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 1626a_100138425928_100000181716 [0,1,0,0,0,1|1,0,1]=4 8225 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 240690a_100138425928_100000181716 [0,1,0,0,0,1|1,0,1]=4 8226 B18R2.71948 CC(C)NC(=O)Cc1ccc2ccccc2c1 527a_100138425928_100000181716 [0,1,0,0,0,1|1,0,1]=4 8227 B18R2.71948 CC(C)NC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100138425928 [0,1,0,0,0,1|1,0,1]=4 8228 B18R2.71948 CC(CN(C)C)Sc1ccc2ccccc2c1 62a_100020606517_100000233703 [0,1,0,0,0,1|1,1,0]=4 8229 B18R2.71948 CC(O)CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100011218427 [0,1,0,0,0,1|2,0,0]=4 8230 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100011218427 [0,1,0,0,0,1|2,0,0]=4 8231 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 2230a_100000227577_100011216711 [0,1,0,0,0,1|2,0,0]=4 8232 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100011218427 [0,1,0,0,0,1|2,0,0]=4 8233 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 269982a_100000227577_100011216711 [0,1,0,0,0,1|2,0,0]=4 8234 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 270004a_100000227577_100000211584 [0,1,0,0,0,1|2,0,0]=4 8235 B18R2.71948 CN(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000750896_100011216711 [0,1,0,0,0,1|2,0,0]=4 8236 B18R2.71948 CN(C)CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000750896 [0,1,0,0,0,1|2,0,0]=4 8237 B18R2.71948 CN(C)CC(=O)Nc1ccc2ccccc2c1 2230a_100102631434_200000182969 [0,1,0,0,0,1|2,0,0]=4 8238 B18R2.71948 CN(C)CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000750896 [0,1,0,0,0,1|2,0,0]=4 8239 B18R2.71948 CN(C)CC(=O)Nc1ccc2ccccc2c1 269982a_100102631434_200000182969 [0,1,0,0,0,1|2,0,0]=4 8240 B18R2.71948 CN(C)CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000750896 [0,1,0,0,0,1|2,0,0]=4 8241 B18R2.71948 C[C@@H](O)CC(=O)Cc1ccc2ccccc2c1 1458a_100011933948_100011216711 [0,1,0,0,0,1|2,0,0]=4 8242 B18R2.71948 C[C@@H](O)CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100011933948 [0,1,0,0,0,1|2,0,0]=4 8243 B18R2.71948 C[C@@H](O)CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100009817552 [0,1,0,0,0,1|2,0,0]=4 8244 B18R2.71948 C[C@@H](O)CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100009817552 [0,1,0,0,0,1|2,0,0]=4 8245 B18R2.71948 C[S+](C)CC(=O)Cc1ccc2ccccc2c1 1458a_200159257847_100011216711 [0,1,0,0,0,1|2,0,0]=4 8246 B18R2.71948 C[S+](C)CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_200159257847 [0,1,0,0,0,1|2,0,0]=4 8247 B18R2.71948 C[S+](C)CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_200159257847 [0,1,0,0,0,1|2,0,0]=4 8248 B18R2.71948 C[S+](C)CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_200159257847 [0,1,0,0,0,1|2,0,0]=4 8249 B18R2.71948 C[S+](C)CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_200159257847 [0,1,0,0,0,1|2,0,0]=4 8250 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000730704 [0,1,0,0,0,1|0,0,2]=4 8251 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000730704 [0,1,0,0,0,1|0,0,2]=4 8252 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000730704 [0,1,0,0,0,1|0,0,2]=4 8253 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000730704 [0,1,0,0,0,1|0,0,2]=4 8254 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000730704 [0,1,0,0,0,1|0,0,2]=4 8255 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000730704 [0,1,0,0,0,1|0,0,2]=4 8256 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000730704 [0,1,0,0,0,1|0,0,2]=4 8257 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000730704 [0,1,0,0,0,1|0,0,2]=4 8258 B18R2.273536 C=C(C)COCc1ccc2cc(ccc2c1)Br 34a_100000210245_100012356510 [0,1,0,0,0,1|0,0,2]=4 8259 B18R2.273536 C=C(C)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000748629 [0,1,0,0,0,1|0,0,2]=4 8260 B18R2.273536 C=C(C)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000748629 [0,1,0,0,0,1|0,0,2]=4 8261 B18R2.273536 CC(=CCNc1ccc2cc(ccc2c1)Br)C 34a_100000185457_100000761012 [0,1,0,0,0,1|1,0,1]=4 8262 B18R2.273536 CC(=CCNc1ccc2cc(ccc2c1)Br)C 7a_100000185457_100000761012 [0,1,0,0,0,1|1,0,1]=4 8263 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Br)C 34a_100000185455_100000761012 [0,1,0,0,0,1|0,0,1]=3 8264 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Br)C 7a_100000185455_100000761012 [0,1,0,0,0,1|0,0,1]=3 8265 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)C)C 34a_100000074090_100000761012 [0,1,0,0,0,1|0,0,1]=3 8266 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)C)C 7a_100000074090_100000761012 [0,1,0,0,0,1|0,0,1]=3 8267 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Cl)C 34a_100000074905_100000761012 [0,1,0,0,0,1|0,0,1]=3 8268 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Cl)C 7a_100000074905_100000761012 [0,1,0,0,0,1|0,0,1]=3 8269 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)F)C 34a_100009847029_100000761012 [0,1,0,0,0,1|0,0,1]=3 8270 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)F)C 7a_100009847029_100000761012 [0,1,0,0,0,1|0,0,1]=3 8271 B18R2.273536 CC(=CCOc1ccc2cc(cnc2c1)Br)C 34a_200010153753_100000761012 [0,1,0,0,0,1|1,0,1]=4 8272 B18R2.273536 CC(=CCOc1ccc2cc(cnc2c1)Br)C 7a_200010153753_100000761012 [0,1,0,0,0,1|1,0,1]=4 8273 B18R2.273536 CC(=CCOc1ccc2nc(ccc2c1)C)C 34a_100000037634_100000761012 [0,1,0,0,0,1|1,0,1]=4 8274 B18R2.273536 CC(=CCOc1ccc2nc(ccc2c1)C)C 7a_100000037634_100000761012 [0,1,0,0,0,1|1,0,1]=4 8275 B18R2.273536 CC(=CCOc1ccc2nc(ccc2c1)Cl)C 34a_100009849208_100000761012 [0,1,0,0,0,1|1,0,1]=4 8276 B18R2.273536 CC(=CCOc1ccc2nc(ccc2c1)Cl)C 7a_100009849208_100000761012 [0,1,0,0,0,1|1,0,1]=4 8277 B18R2.273536 CC(=CCOc1ccc2oc(=O)ccc2c1)C 34a_100000066265_100000761012 [0,1,0,0,0,1|1,0,1]=4 8278 B18R2.273536 CC(=CCOc1ccc2oc(=O)ccc2c1)C 7a_100000066265_100000761012 [0,1,0,0,0,1|1,0,1]=4 8279 B18R2.273536 CC(=CCOc1cnc2cc(ccc2c1)F)C 34a_100012184162_100000761012 [0,1,0,0,0,1|1,0,1]=4 8280 B18R2.273536 CC(=CCOc1cnc2cc(ccc2c1)F)C 7a_100012184162_100000761012 [0,1,0,0,0,1|1,0,1]=4 8281 B18R2.273536 CC(=CCSc1ccc2cc(ccc2c1)N)C 62a_100000185457_100000761012 [0,1,0,0,0,1|0,1,1]=4 8282 B18R2.273536 CC(=CCSc1ccc2cc(ccc2c1)N)C 62a_100000761012_100000185457 [0,1,0,0,0,1|0,1,1]=4 8283 B18R2.273536 CC(=CCSc1ccc2cc(ccc2c1)O)C 62a_100000761012_100000185455 [0,1,0,0,0,1|0,1,1]=4 8284 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000053229 [0,1,0,0,0,1|1,0,1]=4 8285 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000053229 [0,1,0,0,0,1|1,0,1]=4 8286 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000053229 [0,1,0,0,0,1|1,0,1]=4 8287 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000053229 [0,1,0,0,0,1|1,0,1]=4 8288 B18R2.273536 CC(=O)COCc1ccc2cc(ccc2c1)Br 34a_100000211253_100012356510 [0,1,0,0,0,1|1,0,1]=4 8289 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100009813279 [0,1,0,0,0,1|1,0,1]=4 8290 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)C 34a_100000074090_100009813279 [0,1,0,0,0,1|1,0,1]=4 8291 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009813279 [0,1,0,0,0,1|1,0,1]=4 8292 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)F 34a_100009847029_100009813279 [0,1,0,0,0,1|1,0,1]=4 8293 B18R2.273536 CC(Br)COCc1cc2ccc(cc2cn1)Cl 34a_100012180447_200010408301 [0,1,0,0,0,1|2,0,0]=4 8294 B18R2.273536 CC(Br)COCc1ccc2cc(ccc2c1)Br 34a_100012180447_100012356510 [0,1,0,0,0,1|1,0,0]=3 8295 B18R2.273536 CC(C)CC=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016259101_100011934725 [0,1,0,0,0,1|2,0,0]=4 8296 B18R2.273536 CC(C)CC=Cc1ccc2c[n+](ccc2c1)C 271570a_100016259101_100015191232 [0,1,0,0,0,1|2,0,0]=4 8297 B18R2.273536 CC(C)CC=Cc1ccc2cc(ccc2c1)N 271570a_100016259101_100000185457 [0,1,0,0,0,1|1,0,0]=3 8298 B18R2.273536 CC(C)CC=Cc1ccc2cc(ccc2c1)O 271570a_100016259101_100000185455 [0,1,0,0,0,1|1,0,0]=3 8299 B18R2.273536 CC(C)CC=Cc1ccc2cc(ccc2n1)F 271570a_100016259101_100011998705 [0,1,0,0,0,1|2,0,0]=4 8300 B18R2.273536 CC(C)CC=Cc1ccc2cc(ccc2n1)O 271570a_100016259101_100009849208 [0,1,0,0,0,1|2,0,0]=4 8301 B18R2.273536 CC(C)CC=Cc1ccc2cc(cnc2c1)F 271570a_100016259101_100010751466 [0,1,0,0,0,1|2,0,0]=4 8302 B18R2.273536 CC(C)CC=Cc1ccc2cc(cnc2c1)N 271570a_100016259101_100010142226 [0,1,0,0,0,1|2,0,0]=4 8303 B18R2.273536 CC(C)CC=Cc1ccc2cc(ncc2c1)N 271570a_100016259101_100010232990 [0,1,0,0,0,1|2,0,0]=4 8304 B18R2.273536 CC(C)CC=Cc1ccc2nc(ccc2c1)Cl 271570a_100016259101_200012034268 [0,1,0,0,0,1|2,0,0]=4 8305 B18R2.273536 CC(C)CC=Cc1ccc2nc(ccc2c1)N 271570a_100016259101_100011934619 [0,1,0,0,0,1|2,0,0]=4 8306 B18R2.273536 CC(C)CC=Cc1ccc2oc(=O)ccc2c1 271570a_100016259101_100009999946 [0,1,0,0,0,1|2,0,0]=4 8307 B18R2.273536 CC(C)CC=Cc1cnc2cc(ccc2c1)Cl 271570a_100016259101_100015716233 [0,1,0,0,0,1|2,0,0]=4 8308 B18R2.273536 CC(C)CC=Cc1cnc2cc(ccc2c1)N 271570a_100016259101_200010264087 [0,1,0,0,0,1|2,0,0]=4 8309 B18R2.273536 CC(C)CC=Cc1cnc2cc(ccc2c1)O 271570a_100016259101_200010153753 [0,1,0,0,0,1|2,0,0]=4 8310 B18R2.273536 CC(C)CCNc1ccc2cc(ccc2n1)F 27a_100000210545_100011998705 [0,1,0,0,0,1|2,0,0]=4 8311 B18R2.273536 CC(C)CCNc1ccc2cc(cnc2c1)Br 27a_100000210545_200015509644 [0,1,0,0,0,1|2,0,0]=4 8312 B18R2.273536 CC(C)CCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210312 [0,1,0,0,0,1|2,0,0]=4 8313 B18R2.273536 CC(C)CCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210626 [0,1,0,0,0,1|2,0,0]=4 8314 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210312 [0,1,0,0,0,1|0,0,0]=2 8315 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210626 [0,1,0,0,0,1|0,0,0]=2 8316 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210312 [0,1,0,0,0,1|0,0,0]=2 8317 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210626 [0,1,0,0,0,1|0,0,0]=2 8318 B18R2.273536 CC(C)CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210312 [0,1,0,0,0,1|1,0,0]=3 8319 B18R2.273536 CC(C)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210626 [0,1,0,0,0,1|1,0,0]=3 8320 B18R2.273536 CC(C)CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210312 [0,1,0,0,0,1|1,0,0]=3 8321 B18R2.273536 CC(C)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210626 [0,1,0,0,0,1|1,0,0]=3 8322 B18R2.273536 CC(C)CCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210312 [0,1,0,0,0,1|2,0,0]=4 8323 B18R2.273536 CC(C)CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210312 [0,1,0,0,0,1|1,0,0]=3 8324 B18R2.273536 CC(C)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210626 [0,1,0,0,0,1|1,0,0]=3 8325 B18R2.273536 CC(C)CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210312 [0,1,0,0,0,1|1,0,0]=3 8326 B18R2.273536 CC(C)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210626 [0,1,0,0,0,1|1,0,0]=3 8327 B18R2.273536 CC(C)CCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210312_100011934725 [0,1,0,0,0,1|1,1,0]=4 8328 B18R2.273536 CC(C)CCSc1ccc2c[n+](ccc2c1)C 62a_100000210312_100015191232 [0,1,0,0,0,1|1,1,0]=4 8329 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210312 [0,1,0,0,0,1|0,1,0]=3 8330 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)N 62a_100000210312_100000185457 [0,1,0,0,0,1|0,1,0]=3 8331 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)O 62a_100000210312_100000185455 [0,1,0,0,0,1|0,1,0]=3 8332 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)F 62a_100000210312_100011998705 [0,1,0,0,0,1|1,1,0]=4 8333 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210312 [0,1,0,0,0,1|1,1,0]=4 8334 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)O 62a_100000210312_100009849208 [0,1,0,0,0,1|1,1,0]=4 8335 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)F 62a_100000210312_100010751466 [0,1,0,0,0,1|1,1,0]=4 8336 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210312 [0,1,0,0,0,1|1,1,0]=4 8337 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)N 62a_100000210312_100010142226 [0,1,0,0,0,1|1,1,0]=4 8338 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210312 [0,1,0,0,0,1|1,1,0]=4 8339 B18R2.273536 CC(C)CCSc1ccc2cc(ncc2c1)N 62a_100000210312_100010232990 [0,1,0,0,0,1|1,1,0]=4 8340 B18R2.273536 CC(C)CCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210312 [0,1,0,0,0,1|1,1,0]=4 8341 B18R2.273536 CC(C)CCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210312 [0,1,0,0,0,1|1,1,0]=4 8342 B18R2.273536 CC(C)CCSc1ccc2oc(=O)ccc2c1 62a_100000210312_100009999946 [0,1,0,0,0,1|1,1,0]=4 8343 B18R2.273536 CC(C)CCSc1cnc2cc(ccc2c1)N 62a_100000210312_200010264087 [0,1,0,0,0,1|1,1,0]=4 8344 B18R2.273536 CC(C)CCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210312 [0,1,0,0,0,1|1,1,0]=4 8345 B18R2.273536 CC(C)CCSc1cnc2cc(ccc2c1)O 62a_100000210312_200010153753 [0,1,0,0,0,1|1,1,0]=4 8346 B18R2.273536 CC(C)CNCc1cc2ccc(cc2cn1)Cl 2230a_100000210953_200010408301 [0,1,0,0,0,1|2,0,0]=4 8347 B18R2.273536 CC(C)CNCc1cc2ccc(cc2cn1)Cl 34a_100000210953_200010408301 [0,1,0,0,0,1|2,0,0]=4 8348 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 207a_100000210953_100012356508 [0,1,0,0,0,1|1,0,0]=3 8349 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 2230a_100000210953_100012356510 [0,1,0,0,0,1|1,0,0]=3 8350 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 26a_100000210953_100000185455 [0,1,0,0,0,1|1,0,0]=3 8351 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 270004a_100000210953_100012356508 [0,1,0,0,0,1|1,0,0]=3 8352 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 34a_100000210953_100012356510 [0,1,0,0,0,1|1,0,0]=3 8353 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 207a_100000210953_100000067190 [0,1,0,0,0,1|1,0,0]=3 8354 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 270004a_100000210953_100000067190 [0,1,0,0,0,1|1,0,0]=3 8355 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 270004a_200000083168_100000210432 [0,1,0,0,0,1|1,0,0]=3 8356 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210624 [0,1,0,0,0,1|1,0,0]=3 8357 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2n1)Cl 207a_100000210953_100000059782 [0,1,0,0,0,1|2,0,0]=4 8358 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2n1)Cl 270004a_100000210953_100000059782 [0,1,0,0,0,1|2,0,0]=4 8359 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2n1)F 207a_100000210953_100000068074 [0,1,0,0,0,1|2,0,0]=4 8360 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2n1)F 270004a_100000210953_100000068074 [0,1,0,0,0,1|2,0,0]=4 8361 B18R2.273536 CC(C)CNCc1ccc2cc(cnc2c1)Br 207a_100000210953_100010114372 [0,1,0,0,0,1|2,0,0]=4 8362 B18R2.273536 CC(C)CNCc1ccc2cc(cnc2c1)Br 26a_100000210953_200010153753 [0,1,0,0,0,1|2,0,0]=4 8363 B18R2.273536 CC(C)CNCc1ccc2cc(cnc2c1)Br 270004a_100000210953_100010114372 [0,1,0,0,0,1|2,0,0]=4 8364 B18R2.273536 CC(C)CNCc1ccc2nc(ccc2c1)Cl 270004a_100000210953_100000087602 [0,1,0,0,0,1|2,0,0]=4 8365 B18R2.273536 CC(C)CNCc1ccc2oc(=O)ccc2c1 2230a_100000210953_200010983872 [0,1,0,0,0,1|2,0,0]=4 8366 B18R2.273536 CC(C)CNCc1ccc2oc(=O)ccc2c1 270004a_100000210953_100000036638 [0,1,0,0,0,1|2,0,0]=4 8367 B18R2.273536 CC(C)COCc1cc2ccc(cc2cn1)Cl 34a_100000210257_200010408301 [0,1,0,0,0,1|1,0,0]=3 8368 B18R2.273536 CC(C)COCc1ccc2cc(ccc2c1)Br 34a_100000210257_100012356510 [0,1,0,0,0,1|0,0,0]=2 8369 B18R2.273536 CC(C)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210624 [0,1,0,0,0,1|0,0,0]=2 8370 B18R2.273536 CC(C)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210760 [0,1,0,0,0,1|0,0,0]=2 8371 B18R2.273536 CC(C)CSCc1cc2ccc(cc2cn1)Cl 62a_100000210624_200010408301 [0,1,0,0,0,1|1,1,0]=4 8372 B18R2.273536 CC(C)CSCc1cc2ccc(cc2cn1)Cl 62a_200010408301_100000210760 [0,1,0,0,0,1|1,1,0]=4 8373 B18R2.273536 CC(C)CSCc1ccc2oc(=O)ccc2c1 62a_100000210624_200010983872 [0,1,0,0,0,1|1,1,0]=4 8374 B18R2.273536 CC(C)NN=Cc1ccc2cc(ccc2c1)Br 4a_100000741168_100012356508 [0,1,0,0,0,1|2,0,0]=4 8375 B18R2.273536 CC(C)NN=Cc1ccc2cc(ccc2c1)O 4a_100000741168_100000067190 [0,1,0,0,0,1|2,0,0]=4 8376 B18R2.273536 CC(C)OCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000709892 [0,1,0,0,0,1|1,0,0]=3 8377 B18R2.273536 CC(C)OCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000709892 [0,1,0,0,0,1|2,0,0]=4 8378 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000709892 [0,1,0,0,0,1|0,0,0]=2 8379 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000709892 [0,1,0,0,0,1|0,0,0]=2 8380 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000709892 [0,1,0,0,0,1|0,0,0]=2 8381 B18R2.273536 CC(C)OCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000709892 [0,1,0,0,0,1|1,0,0]=3 8382 B18R2.273536 CC(C)OCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000709892 [0,1,0,0,0,1|1,0,0]=3 8383 B18R2.273536 CC(C)OCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000709892 [0,1,0,0,0,1|2,0,0]=4 8384 B18R2.273536 CC(C)OCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000709892 [0,1,0,0,0,1|1,0,0]=3 8385 B18R2.273536 CC(C)OCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000709892 [0,1,0,0,0,1|1,0,0]=3 8386 B18R2.273536 CC(C)OCSc1ccc2[nH]c(=O)ccc2c1 62a_100000709892_100011934725 [0,1,0,0,0,1|1,1,0]=4 8387 B18R2.273536 CC(C)OCSc1ccc2c[n+](ccc2c1)C 62a_100000709892_100015191232 [0,1,0,0,0,1|1,1,0]=4 8388 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)F 62a_100000709892_100009817052 [0,1,0,0,0,1|0,1,0]=3 8389 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000709892 [0,1,0,0,0,1|0,1,0]=3 8390 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000709892 [0,1,0,0,0,1|0,1,0]=3 8391 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)N 62a_100000709892_100000185457 [0,1,0,0,0,1|0,1,0]=3 8392 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)O 62a_100000709892_100000185455 [0,1,0,0,0,1|0,1,0]=3 8393 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2n1)F 62a_100000709892_100011998705 [0,1,0,0,0,1|1,1,0]=4 8394 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000709892 [0,1,0,0,0,1|1,1,0]=4 8395 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2n1)O 62a_100000709892_100009849208 [0,1,0,0,0,1|1,1,0]=4 8396 B18R2.273536 CC(C)OCSc1ccc2cc(cnc2c1)Br 62a_100000709892_200015509644 [0,1,0,0,0,1|1,1,0]=4 8397 B18R2.273536 CC(C)OCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000709892 [0,1,0,0,0,1|1,1,0]=4 8398 B18R2.273536 CC(C)OCSc1ccc2cc(cnc2c1)F 62a_100000709892_100010751466 [0,1,0,0,0,1|1,1,0]=4 8399 B18R2.273536 CC(C)OCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000709892 [0,1,0,0,0,1|1,1,0]=4 8400 B18R2.273536 CC(C)OCSc1ccc2cc(cnc2c1)N 62a_100000709892_100010142226 [0,1,0,0,0,1|1,1,0]=4 8401 B18R2.273536 CC(C)OCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000709892 [0,1,0,0,0,1|1,1,0]=4 8402 B18R2.273536 CC(C)OCSc1ccc2cc(ncc2c1)N 62a_100000709892_100010232990 [0,1,0,0,0,1|1,1,0]=4 8403 B18R2.273536 CC(C)OCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000709892 [0,1,0,0,0,1|1,1,0]=4 8404 B18R2.273536 CC(C)OCSc1ccc2nc(ccc2c1)Cl 62a_100000709892_200012034268 [0,1,0,0,0,1|1,1,0]=4 8405 B18R2.273536 CC(C)OCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000709892 [0,1,0,0,0,1|1,1,0]=4 8406 B18R2.273536 CC(C)OCSc1ccc2oc(=O)ccc2c1 62a_100000709892_100009999946 [0,1,0,0,0,1|1,1,0]=4 8407 B18R2.273536 CC(C)OCSc1cnc2cc(ccc2c1)Cl 62a_100000709892_100015716233 [0,1,0,0,0,1|1,1,0]=4 8408 B18R2.273536 CC(C)OCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000709892 [0,1,0,0,0,1|1,1,0]=4 8409 B18R2.273536 CC(C)OCSc1cnc2cc(ccc2c1)N 62a_100000709892_200010264087 [0,1,0,0,0,1|1,1,0]=4 8410 B18R2.273536 CC(C)OCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000709892 [0,1,0,0,0,1|1,1,0]=4 8411 B18R2.273536 CC(C)OCSc1cnc2cc(ccc2c1)O 62a_100000709892_200010153753 [0,1,0,0,0,1|1,1,0]=4 8412 B18R2.273536 CC(F)COCc1cc2ccc(cc2cn1)Cl 34a_100015925927_200010408301 [0,1,0,0,0,1|2,0,0]=4 8413 B18R2.273536 CC(F)COCc1ccc2cc(ccc2c1)Br 34a_100015925927_100012356510 [0,1,0,0,0,1|1,0,0]=3 8414 B18R2.273536 CC(O)CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100012276601 [0,1,0,0,0,1|2,0,0]=4 8415 B18R2.273536 CC(O)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100012276601 [0,1,0,0,0,1|2,0,0]=4 8416 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100012276601 [0,1,0,0,0,1|1,0,0]=3 8417 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100012276601 [0,1,0,0,0,1|1,0,0]=3 8418 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100012276601 [0,1,0,0,0,1|1,0,0]=3 8419 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100012276601 [0,1,0,0,0,1|1,0,0]=3 8420 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100012276601 [0,1,0,0,0,1|1,0,0]=3 8421 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100012276601 [0,1,0,0,0,1|1,0,0]=3 8422 B18R2.273536 CC(O)CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100012276601 [0,1,0,0,0,1|2,0,0]=4 8423 B18R2.273536 CC(O)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100012276601 [0,1,0,0,0,1|2,0,0]=4 8424 B18R2.273536 CC(O)CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100012276601 [0,1,0,0,0,1|2,0,0]=4 8425 B18R2.273536 CC(O)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100012276601 [0,1,0,0,0,1|2,0,0]=4 8426 B18R2.273536 CC(O)CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100012276601 [0,1,0,0,0,1|2,0,0]=4 8427 B18R2.273536 CC(O)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100012276601 [0,1,0,0,0,1|2,0,0]=4 8428 B18R2.273536 CC(O)CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100012276601 [0,1,0,0,0,1|2,0,0]=4 8429 B18R2.273536 CC(O)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100012276601 [0,1,0,0,0,1|2,0,0]=4 8430 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)Br 62a_100012276601_100012344972 [0,1,0,0,0,1|1,1,0]=4 8431 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100012276601 [0,1,0,0,0,1|1,1,0]=4 8432 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100012276601 [0,1,0,0,0,1|1,1,0]=4 8433 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)F 62a_100012276601_100009817052 [0,1,0,0,0,1|1,1,0]=4 8434 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100012276601 [0,1,0,0,0,1|1,1,0]=4 8435 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)N 62a_100012276601_100000185457 [0,1,0,0,0,1|1,1,0]=4 8436 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)O 62a_100012276601_100000185455 [0,1,0,0,0,1|1,1,0]=4 8437 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 207a_100000210904_100012356508 [0,1,0,0,0,1|2,0,0]=4 8438 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 2230a_100000210904_100012356510 [0,1,0,0,0,1|2,0,0]=4 8439 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 270004a_100000210904_100012356508 [0,1,0,0,0,1|2,0,0]=4 8440 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 34a_100000210904_100012356510 [0,1,0,0,0,1|2,0,0]=4 8441 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)O 207a_100000210904_100000067190 [0,1,0,0,0,1|2,0,0]=4 8442 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)O 270004a_100000210904_100000067190 [0,1,0,0,0,1|2,0,0]=4 8443 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)O 34a_200000083168_100011218427 [0,1,0,0,0,1|2,0,0]=4 8444 B18R2.273536 CC(O)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011218427 [0,1,0,0,0,1|1,0,0]=3 8445 B18R2.273536 CC(O)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100011218427 [0,1,0,0,0,1|1,0,0]=3 8446 B18R2.273536 CC(O)CSCc1ccc2cc(ccc2c1)Br 62a_100011218427_100012356510 [0,1,0,0,0,1|1,1,0]=4 8447 B18R2.273536 CC(O)CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100011218427 [0,1,0,0,0,1|1,1,0]=4 8448 B18R2.273536 CN(C)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000755713 [0,1,0,0,0,1|2,0,0]=4 8449 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000755713 [0,1,0,0,0,1|1,0,0]=3 8450 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000755713 [0,1,0,0,0,1|1,0,0]=3 8451 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000755713 [0,1,0,0,0,1|1,0,0]=3 8452 B18R2.273536 CN(C)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000755713 [0,1,0,0,0,1|2,0,0]=4 8453 B18R2.273536 CN(C)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000755713 [0,1,0,0,0,1|2,0,0]=4 8454 B18R2.273536 CN(C)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000755713 [0,1,0,0,0,1|2,0,0]=4 8455 B18R2.273536 CN(C)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000755713 [0,1,0,0,0,1|2,0,0]=4 8456 B18R2.273536 CN(C)CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000755713 [0,1,0,0,0,1|1,1,0]=4 8457 B18R2.273536 CN(C)CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000755713 [0,1,0,0,0,1|1,1,0]=4 8458 B18R2.273536 CN(C)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000755713 [0,1,0,0,0,1|1,1,0]=4 8459 B18R2.273536 C[C@@H](Cl)COCc1cc2ccc(cc2cn1)Cl 34a_100016084084_200010408301 [0,1,0,0,0,1|2,0,0]=4 8460 B18R2.273536 C[C@@H](Cl)COCc1ccc2cc(ccc2c1)Br 34a_100016084084_100012356510 [0,1,0,0,0,1|1,0,0]=3 8461 B18R2.273536 C[C@@H](N)COCc1cc2ccc(cc2cn1)Cl 34a_100000737577_200010408301 [0,1,0,0,0,1|2,0,0]=4 8462 B18R2.273536 C[C@@H](N)COCc1ccc2cc(ccc2c1)Br 34a_100000737577_100012356510 [0,1,0,0,0,1|1,0,0]=3 8463 B18R2.273536 C[C@@H](O)CNCc1ccc2cc(ccc2c1)O 34a_200000083168_100009817552 [0,1,0,0,0,1|2,0,0]=4 8464 B18R2.273536 C[C@@H](O)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100009817552 [0,1,0,0,0,1|1,0,0]=3 8465 B18R2.273536 C[C@@H](O)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100009817552 [0,1,0,0,0,1|1,0,0]=3 8466 B18R2.273536 C[C@@H](O)CSCc1ccc2cc(ccc2c1)Br 62a_100009817552_100012356510 [0,1,0,0,0,1|1,1,0]=4 8467 B18R2.273536 C[C@@H](O)CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100009817552 [0,1,0,0,0,1|1,1,0]=4 8468 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)C 34a_100000074090_100000210312 [0,1,0,0,0,1|0,0,0]=2 8469 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)C 7a_100000074090_100000210626 [0,1,0,0,0,1|0,0,0]=2 8470 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)O 34a_100000074090_100012276601 [0,1,0,0,0,1|1,0,0]=3 8471 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)O 7a_100000074090_100012276601 [0,1,0,0,0,1|1,0,0]=3 8472 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCN(C)C 7a_100000074090_100000755713 [0,1,0,0,0,1|1,0,0]=3 8473 B18R2.273536 Cc1ccc2cc(ccc2c1)OCOC(C)C 34a_100000074090_100000709892 [0,1,0,0,0,1|0,0,0]=2 8474 B18R2.273536 Cc1ccc2cc(ccc2n1)C=CCC(C)C 271570a_100016259101_100000686635 [0,1,0,0,0,1|2,0,0]=4 8475 B18R2.273536 Cc1ccc2cc(ccc2n1)CNCC(C)C 207a_100000210953_100000709793 [0,1,0,0,0,1|2,0,0]=4 8476 B18R2.273536 Cc1ccc2cc(ccc2n1)CNCC(C)C 270004a_100000210953_100000709793 [0,1,0,0,0,1|2,0,0]=4 8477 B18R2.273536 Cc1ccc2cc(ccc2n1)COCC(C)C 34a_100011934618_100000210624 [0,1,0,0,0,1|1,0,0]=3 8478 B18R2.273536 Cc1ccc2cc(ccc2n1)COCC(C)O 34a_100011934618_100011218427 [0,1,0,0,0,1|2,0,0]=4 8479 B18R2.273536 Cc1ccc2cc(ccc2n1)COC[C@@H](C)O 34a_100011934618_100009817552 [0,1,0,0,0,1|2,0,0]=4 8480 B18R2.273536 Cc1ccc2cc(ccc2n1)NCCC(C)C 34a_100011216442_100000210312 [0,1,0,0,0,1|2,0,0]=4 8481 B18R2.273536 Cc1ccc2cc(ccc2n1)NCOC(C)C 34a_100011216442_100000709892 [0,1,0,0,0,1|2,0,0]=4 8482 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)C 34a_100000037634_100000210312 [0,1,0,0,0,1|1,0,0]=3 8483 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)C 7a_100000037634_100000210626 [0,1,0,0,0,1|1,0,0]=3 8484 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)O 34a_100000037634_100012276601 [0,1,0,0,0,1|2,0,0]=4 8485 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)O 7a_100000037634_100012276601 [0,1,0,0,0,1|2,0,0]=4 8486 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCN(C)C 7a_100000037634_100000755713 [0,1,0,0,0,1|2,0,0]=4 8487 B18R2.273536 Cc1ccc2cc(ccc2n1)OCOC(C)C 34a_100000037634_100000709892 [0,1,0,0,0,1|1,0,0]=3 8488 B18R2.273536 Cc1ccc2cc(ccc2n1)SCCC(C)C 62a_100000210312_100000686635 [0,1,0,0,0,1|1,1,0]=4 8489 B18R2.273536 Cc1ccc2cc(ccc2n1)SCCC(C)C 62a_100000686635_100000210312 [0,1,0,0,0,1|1,1,0]=4 8490 B18R2.273536 Cc1ccc2cc(ccc2n1)SCOC(C)C 62a_100000686635_100000709892 [0,1,0,0,0,1|1,1,0]=4 8491 B18R2.273536 Cc1ccc2cc(ccc2n1)SCOC(C)C 62a_100000709892_100000686635 [0,1,0,0,0,1|1,1,0]=4 8492 B18R2.273536 Cc1ccc2nc(ccc2c1)C=CCC(C)C 271570a_100016259101_100011865911 [0,1,0,0,0,1|2,0,0]=4 8493 B18R2.273536 Cc1ccc2nc(ccc2c1)CNCC(C)C 2230a_100000210953_100009884411 [0,1,0,0,0,1|2,0,0]=4 8494 B18R2.273536 Cc1ccc2nc(ccc2c1)CNCC(C)C 34a_100000210953_100009884411 [0,1,0,0,0,1|2,0,0]=4 8495 B18R2.273536 Cc1ccc2nc(ccc2c1)COCC(C)Br 34a_100012180447_100009884411 [0,1,0,0,0,1|2,0,0]=4 8496 B18R2.273536 Cc1ccc2nc(ccc2c1)COCC(C)C 34a_100000210257_100009884411 [0,1,0,0,0,1|1,0,0]=3 8497 B18R2.273536 Cc1ccc2nc(ccc2c1)COCC(C)F 34a_100015925927_100009884411 [0,1,0,0,0,1|2,0,0]=4 8498 B18R2.273536 Cc1ccc2nc(ccc2c1)COC[C@@H](C)Cl 34a_100016084084_100009884411 [0,1,0,0,0,1|2,0,0]=4 8499 B18R2.273536 Cc1ccc2nc(ccc2c1)COC[C@@H](C)N 34a_100000737577_100009884411 [0,1,0,0,0,1|2,0,0]=4 8500 B18R2.273536 Cc1ccc2nc(ccc2c1)CSCC(C)C 62a_100000210624_100009884411 [0,1,0,0,0,1|1,1,0]=4 8501 B18R2.273536 Cc1ccc2nc(ccc2c1)CSCC(C)C 62a_100009884411_100000210760 [0,1,0,0,0,1|1,1,0]=4 8502 B18R2.273536 Cc1ccc2nc(ccc2c1)NCCC(C)C 27a_100000210545_100011865911 [0,1,0,0,0,1|2,0,0]=4 8503 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)C 62a_100000210312_100011865911 [0,1,0,0,0,1|1,1,0]=4 8504 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)C 62a_200000181977_100000210312 [0,1,0,0,0,1|1,1,0]=4 8505 B18R2.273536 Cc1ccc2nc(ccc2c1)SCOC(C)C 62a_100000709892_100011865911 [0,1,0,0,0,1|1,1,0]=4 8506 B18R2.273536 Cc1ccc2nc(ccc2c1)SCOC(C)C 62a_200000181977_100000709892 [0,1,0,0,0,1|1,1,0]=4 8507 B18R2.273536 Cc1cnc2cc(ccc2c1)C=CCC(C)C 271570a_100016259101_100010751441 [0,1,0,0,0,1|2,0,0]=4 8508 B18R2.273536 Cc1cnc2cc(ccc2c1)SCCC(C)C 62a_100000210312_100010751441 [0,1,0,0,0,1|1,1,0]=4 8509 B18R2.273536 Cc1cnc2cc(ccc2c1)SCOC(C)C 62a_100000709892_100010751441 [0,1,0,0,0,1|1,1,0]=4 8510 B18R2.273536 FC(F)COCc1ccc2cc(ccc2c1)Br 34a_100000743014_100012356510 [0,1,0,0,0,1|2,0,0]=4 8511 B18R2.273536 FC(F)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011934356 [0,1,0,0,0,1|2,0,0]=4 8512 B18R2.273536 FC(F)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100011934356 [0,1,0,0,0,1|2,0,0]=4 8513 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Br 34a_100000183829_100000730704 [0,1,0,0,0,1|0,0,2]=4 8514 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000730704 [0,1,0,0,0,1|0,0,2]=4 8515 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1C 34a_100009830054_100000730704 [0,1,0,0,0,1|0,0,2]=4 8516 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1C 7a_100009830054_100000730704 [0,1,0,0,0,1|0,0,2]=4 8517 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000730704 [0,1,0,0,0,1|0,0,2]=4 8518 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000730704 [0,1,0,0,0,1|0,0,2]=4 8519 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1I 34a_100000041551_100000730704 [0,1,0,0,0,1|0,0,2]=4 8520 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000730704 [0,1,0,0,0,1|0,0,2]=4 8521 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1N 34a_100000007056_100000730704 [0,1,0,0,0,1|0,0,2]=4 8522 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000730704 [0,1,0,0,0,1|0,0,2]=4 8523 B18R2.282514 C=C(C)COCc1ccc2ccccc2c1Br 34a_100000210245_100009813938 [0,1,0,0,0,1|0,0,2]=4 8524 B18R2.282514 CC(=CCNc1ccc2ccccc2c1Br)C 34a_100000705303_100000761012 [0,1,0,0,0,1|1,0,1]=4 8525 B18R2.282514 CC(=CCNc1ccc2ccccc2c1Cl)C 34a_100000075557_100000761012 [0,1,0,0,0,1|1,0,1]=4 8526 B18R2.282514 CC(=CCNc1ccc2ccccc2c1O)C 34a_100000007060_100000761012 [0,1,0,0,0,1|1,0,1]=4 8527 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Br)C 34a_100000183829_100000761012 [0,1,0,0,0,1|0,0,1]=3 8528 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Br)C 7a_100000183829_100000761012 [0,1,0,0,0,1|0,0,1]=3 8529 B18R2.282514 CC(=CCOc1ccc2ccccc2c1C)C 34a_100009830054_100000761012 [0,1,0,0,0,1|0,0,1]=3 8530 B18R2.282514 CC(=CCOc1ccc2ccccc2c1C)C 7a_100009830054_100000761012 [0,1,0,0,0,1|0,0,1]=3 8531 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Cl)C 34a_100000029778_100000761012 [0,1,0,0,0,1|0,0,1]=3 8532 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Cl)C 7a_100000029778_100000761012 [0,1,0,0,0,1|0,0,1]=3 8533 B18R2.282514 CC(=CCOc1ccc2ccccc2c1I)C 34a_100000041551_100000761012 [0,1,0,0,0,1|0,0,1]=3 8534 B18R2.282514 CC(=CCOc1ccc2ccccc2c1I)C 7a_100000041551_100000761012 [0,1,0,0,0,1|0,0,1]=3 8535 B18R2.282514 CC(=CCOc1ccc2ccccc2c1N)C 34a_100000007056_100000761012 [0,1,0,0,0,1|0,0,1]=3 8536 B18R2.282514 CC(=CCOc1ccc2ccccc2c1N)C 7a_100000007056_100000761012 [0,1,0,0,0,1|0,0,1]=3 8537 B18R2.282514 CC(=CCOc1ccc2cccnc2c1Br)C 34a_100010173343_100000761012 [0,1,0,0,0,1|1,0,1]=4 8538 B18R2.282514 CC(=CCOc1ccc2cccnc2c1Br)C 7a_100010173343_100000761012 [0,1,0,0,0,1|1,0,1]=4 8539 B18R2.282514 CC(=CCOc1ccc2ccncc2c1Br)C 34a_200010115057_100000761012 [0,1,0,0,0,1|1,0,1]=4 8540 B18R2.282514 CC(=CCOc1ccc2ccncc2c1Br)C 7a_200010115057_100000761012 [0,1,0,0,0,1|1,0,1]=4 8541 B18R2.282514 CC(=CCOc1ccc2cnccc2c1Cl)C 34a_100009824633_100000761012 [0,1,0,0,0,1|1,0,1]=4 8542 B18R2.282514 CC(=CCOc1ccc2cnccc2c1Cl)C 7a_100009824633_100000761012 [0,1,0,0,0,1|1,0,1]=4 8543 B18R2.282514 CC(=CCSc1ccc2ccccc2c1N)C 62a_100009817101_100000761012 [0,1,0,0,0,1|0,1,1]=4 8544 B18R2.282514 CC(=CCSc1ccc2ccccc2c1O)C 62a_100000761012_100009996032 [0,1,0,0,0,1|0,1,1]=4 8545 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000053229 [0,1,0,0,0,1|1,0,1]=4 8546 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1C 7a_100009830054_100000053229 [0,1,0,0,0,1|1,0,1]=4 8547 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000053229 [0,1,0,0,0,1|1,0,1]=4 8548 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1I 7a_100000041551_100000053229 [0,1,0,0,0,1|1,0,1]=4 8549 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1N 7a_100000007056_100000053229 [0,1,0,0,0,1|1,0,1]=4 8550 B18R2.282514 CC(=O)COCc1ccc2ccccc2c1Br 34a_100000211253_100009813938 [0,1,0,0,0,1|1,0,1]=4 8551 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1Br 34a_100000183829_100009813279 [0,1,0,0,0,1|1,0,1]=4 8552 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1C 34a_100009830054_100009813279 [0,1,0,0,0,1|1,0,1]=4 8553 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1Cl 34a_100000029778_100009813279 [0,1,0,0,0,1|1,0,1]=4 8554 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1I 34a_100000041551_100009813279 [0,1,0,0,0,1|1,0,1]=4 8555 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1N 34a_100000007056_100009813279 [0,1,0,0,0,1|1,0,1]=4 8556 B18R2.282514 CC(Br)COCc1ccc2ccccc2c1Br 34a_100012180447_100009813938 [0,1,0,0,0,1|1,0,0]=3 8557 B18R2.282514 CC(C)CC=Cc1c[nH]c2ccccc2c1=O 271570a_100016259101_100012339567 [0,1,0,0,0,1|2,0,0]=4 8558 B18R2.282514 CC(C)CC=Cc1ccc2ccccc2c1N 271570a_100016259101_100009817101 [0,1,0,0,0,1|1,0,0]=3 8559 B18R2.282514 CC(C)CC=Cc1ccc2ccccc2c1O 271570a_100016259101_100009996032 [0,1,0,0,0,1|1,0,0]=3 8560 B18R2.282514 CC(C)CC=Cc1ccc2cccnc2c1F 271570a_100016259101_100010751467 [0,1,0,0,0,1|2,0,0]=4 8561 B18R2.282514 CC(C)CC=Cc1ccc2cccnc2c1O 271570a_100016259101_100009816563 [0,1,0,0,0,1|2,0,0]=4 8562 B18R2.282514 CC(C)CC=Cc1ccc2cnccc2c1N 271570a_100016259101_100010191621 [0,1,0,0,0,1|2,0,0]=4 8563 B18R2.282514 CC(C)CC=Cc1ccc2ncccc2c1N 271570a_100016259101_200010235790 [0,1,0,0,0,1|2,0,0]=4 8564 B18R2.282514 CC(C)CC=Cc1cnc2ccccc2c1Cl 271570a_100016259101_100012352519 [0,1,0,0,0,1|2,0,0]=4 8565 B18R2.282514 CC(C)CC=Cc1cnc2ccccc2c1N 271570a_100016259101_100009995562 [0,1,0,0,0,1|2,0,0]=4 8566 B18R2.282514 CC(C)CC=Cc1coc2ccccc2c1=O 271570a_100016259101_100009813851 [0,1,0,0,0,1|2,0,0]=4 8567 B18R2.282514 CC(C)CC=Cc1ncc2ccccc2c1N 271570a_100016259101_100000087573 [0,1,0,0,0,1|2,0,0]=4 8568 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210312 [0,1,0,0,0,1|1,0,0]=3 8569 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1O 34a_100000007060_100000210312 [0,1,0,0,0,1|1,0,0]=3 8570 B18R2.282514 CC(C)CCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210312 [0,1,0,0,0,1|2,0,0]=4 8571 B18R2.282514 CC(C)CCNc1ccc2ncccc2c1Br 34a_200009995563_100000210312 [0,1,0,0,0,1|2,0,0]=4 8572 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210312 [0,1,0,0,0,1|0,0,0]=2 8573 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210626 [0,1,0,0,0,1|0,0,0]=2 8574 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1I 34a_100000041551_100000210312 [0,1,0,0,0,1|0,0,0]=2 8575 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000210626 [0,1,0,0,0,1|0,0,0]=2 8576 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1N 34a_100000007056_100000210312 [0,1,0,0,0,1|0,0,0]=2 8577 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000210626 [0,1,0,0,0,1|0,0,0]=2 8578 B18R2.282514 CC(C)CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210312 [0,1,0,0,0,1|1,0,0]=3 8579 B18R2.282514 CC(C)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210626 [0,1,0,0,0,1|1,0,0]=3 8580 B18R2.282514 CC(C)CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210312 [0,1,0,0,0,1|1,0,0]=3 8581 B18R2.282514 CC(C)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210626 [0,1,0,0,0,1|1,0,0]=3 8582 B18R2.282514 CC(C)CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210312 [0,1,0,0,0,1|1,0,0]=3 8583 B18R2.282514 CC(C)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210626 [0,1,0,0,0,1|1,0,0]=3 8584 B18R2.282514 CC(C)CCSc1c[nH]c2ccccc2c1=O 62a_100000210312_100012348052 [0,1,0,0,0,1|1,1,0]=4 8585 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1N 62a_100009817101_100000210312 [0,1,0,0,0,1|0,1,0]=3 8586 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1O 62a_100000210312_100009996032 [0,1,0,0,0,1|0,1,0]=3 8587 B18R2.282514 CC(C)CCSc1ccc2cccnc2c1F 62a_100000210312_100010751467 [0,1,0,0,0,1|1,1,0]=4 8588 B18R2.282514 CC(C)CCSc1ccc2cccnc2c1F 62a_100010751467_100000210312 [0,1,0,0,0,1|1,1,0]=4 8589 B18R2.282514 CC(C)CCSc1ccc2cccnc2c1O 62a_100000210312_100009816563 [0,1,0,0,0,1|1,1,0]=4 8590 B18R2.282514 CC(C)CCSc1ccc2cnccc2c1N 62a_100000210312_100010191621 [0,1,0,0,0,1|1,1,0]=4 8591 B18R2.282514 CC(C)CCSc1ccc2cnccc2c1N 62a_100010191621_100000210312 [0,1,0,0,0,1|1,1,0]=4 8592 B18R2.282514 CC(C)CCSc1ccc2ncccc2c1N 62a_200010235790_100000210312 [0,1,0,0,0,1|1,1,0]=4 8593 B18R2.282514 CC(C)CCSc1cnc2ccccc2c1N 62a_100000210312_100009995562 [0,1,0,0,0,1|1,1,0]=4 8594 B18R2.282514 CC(C)CCSc1cnc2ccccc2c1N 62a_100009995562_100000210312 [0,1,0,0,0,1|1,1,0]=4 8595 B18R2.282514 CC(C)CCSc1coc2ccccc2c1=O 62a_100000210312_100009813851 [0,1,0,0,0,1|1,1,0]=4 8596 B18R2.282514 CC(C)CCSc1ncc2ccccc2c1N 62a_100000210312_100000087573 [0,1,0,0,0,1|1,1,0]=4 8597 B18R2.282514 CC(C)CCSc1ncc2ccccc2c1N 62a_100009995564_100000210312 [0,1,0,0,0,1|1,1,0]=4 8598 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 207a_100000210953_100009813496 [0,1,0,0,0,1|1,0,0]=3 8599 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 2230a_100000210953_100009813938 [0,1,0,0,0,1|1,0,0]=3 8600 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 26a_100000210953_100000183829 [0,1,0,0,0,1|1,0,0]=3 8601 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 270004a_100000210953_100009813496 [0,1,0,0,0,1|1,0,0]=3 8602 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 34a_100000210953_100009813938 [0,1,0,0,0,1|1,0,0]=3 8603 B18R2.282514 CC(C)CNCc1ccc2cccnc2c1Br 26a_100000210953_100010173343 [0,1,0,0,0,1|2,0,0]=4 8604 B18R2.282514 CC(C)CNCc1ccc2ccncc2c1Br 26a_100000210953_200010115057 [0,1,0,0,0,1|2,0,0]=4 8605 B18R2.282514 CC(C)CNCc1ccc2cnccc2c1Cl 26a_100000210953_100009824633 [0,1,0,0,0,1|2,0,0]=4 8606 B18R2.282514 CC(C)CNCc1cnc2ccccc2c1Cl 270004a_100000210953_100000037458 [0,1,0,0,0,1|2,0,0]=4 8607 B18R2.282514 CC(C)CNCc1coc2ccccc2c1=O 270004a_100000210953_100000195500 [0,1,0,0,0,1|2,0,0]=4 8608 B18R2.282514 CC(C)COCc1ccc2ccccc2c1Br 34a_100000210257_100009813938 [0,1,0,0,0,1|0,0,0]=2 8609 B18R2.282514 CC(C)NN=Cc1ccc2ccccc2c1Br 4a_100000741168_100009813496 [0,1,0,0,0,1|2,0,0]=4 8610 B18R2.282514 CC(C)NN=Cc1ccc2ccccc2c1O 4a_100000741168_100000724927 [0,1,0,0,0,1|2,0,0]=4 8611 B18R2.282514 CC(C)OCNc1ccc2ccccc2c1Br 34a_100000705303_100000709892 [0,1,0,0,0,1|1,0,0]=3 8612 B18R2.282514 CC(C)OCNc1ccc2ccccc2c1Cl 34a_100000075557_100000709892 [0,1,0,0,0,1|1,0,0]=3 8613 B18R2.282514 CC(C)OCNc1ccc2ccccc2c1O 34a_100000007060_100000709892 [0,1,0,0,0,1|1,0,0]=3 8614 B18R2.282514 CC(C)OCNc1ccc2cnccc2c1Cl 34a_100009851981_100000709892 [0,1,0,0,0,1|2,0,0]=4 8615 B18R2.282514 CC(C)OCNc1ccc2ncccc2c1Br 34a_200009995563_100000709892 [0,1,0,0,0,1|2,0,0]=4 8616 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1Br 34a_100000183829_100000709892 [0,1,0,0,0,1|0,0,0]=2 8617 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1Cl 34a_100000029778_100000709892 [0,1,0,0,0,1|0,0,0]=2 8618 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1I 34a_100000041551_100000709892 [0,1,0,0,0,1|0,0,0]=2 8619 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1N 34a_100000007056_100000709892 [0,1,0,0,0,1|0,0,0]=2 8620 B18R2.282514 CC(C)OCOc1ccc2cccnc2c1Br 34a_100010173343_100000709892 [0,1,0,0,0,1|1,0,0]=3 8621 B18R2.282514 CC(C)OCOc1ccc2ccncc2c1Br 34a_200010115057_100000709892 [0,1,0,0,0,1|1,0,0]=3 8622 B18R2.282514 CC(C)OCOc1ccc2cnccc2c1Cl 34a_100009824633_100000709892 [0,1,0,0,0,1|1,0,0]=3 8623 B18R2.282514 CC(C)OCSc1c[nH]c2ccccc2c1=O 62a_100000709892_100012348052 [0,1,0,0,0,1|1,1,0]=4 8624 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1F 62a_100000709892_100009832041 [0,1,0,0,0,1|0,1,0]=3 8625 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1F 62a_100009832041_100000709892 [0,1,0,0,0,1|0,1,0]=3 8626 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1N 62a_100009817101_100000709892 [0,1,0,0,0,1|0,1,0]=3 8627 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1O 62a_100000709892_100009996032 [0,1,0,0,0,1|0,1,0]=3 8628 B18R2.282514 CC(C)OCSc1ccc2cccnc2c1F 62a_100000709892_100010751467 [0,1,0,0,0,1|1,1,0]=4 8629 B18R2.282514 CC(C)OCSc1ccc2cccnc2c1F 62a_100010751467_100000709892 [0,1,0,0,0,1|1,1,0]=4 8630 B18R2.282514 CC(C)OCSc1ccc2cccnc2c1O 62a_100000709892_100009816563 [0,1,0,0,0,1|1,1,0]=4 8631 B18R2.282514 CC(C)OCSc1ccc2cnccc2c1N 62a_100000709892_100010191621 [0,1,0,0,0,1|1,1,0]=4 8632 B18R2.282514 CC(C)OCSc1ccc2cnccc2c1N 62a_100010191621_100000709892 [0,1,0,0,0,1|1,1,0]=4 8633 B18R2.282514 CC(C)OCSc1ccc2ncccc2c1N 62a_200010235790_100000709892 [0,1,0,0,0,1|1,1,0]=4 8634 B18R2.282514 CC(C)OCSc1cnc2ccccc2c1Cl 62a_100000709892_100012352519 [0,1,0,0,0,1|1,1,0]=4 8635 B18R2.282514 CC(C)OCSc1cnc2ccccc2c1N 62a_100000709892_100009995562 [0,1,0,0,0,1|1,1,0]=4 8636 B18R2.282514 CC(C)OCSc1cnc2ccccc2c1N 62a_100009995562_100000709892 [0,1,0,0,0,1|1,1,0]=4 8637 B18R2.282514 CC(C)OCSc1coc2ccccc2c1=O 62a_100000709892_100009813851 [0,1,0,0,0,1|1,1,0]=4 8638 B18R2.282514 CC(C)OCSc1ncc2ccccc2c1N 62a_100000709892_100000087573 [0,1,0,0,0,1|1,1,0]=4 8639 B18R2.282514 CC(C)OCSc1ncc2ccccc2c1N 62a_100009995564_100000709892 [0,1,0,0,0,1|1,1,0]=4 8640 B18R2.282514 CC(F)COCc1ccc2ccccc2c1Br 34a_100015925927_100009813938 [0,1,0,0,0,1|1,0,0]=3 8641 B18R2.282514 CC(O)CCNc1ccc2ccccc2c1Br 34a_100000705303_100012276601 [0,1,0,0,0,1|2,0,0]=4 8642 B18R2.282514 CC(O)CCNc1ccc2ccccc2c1Cl 34a_100000075557_100012276601 [0,1,0,0,0,1|2,0,0]=4 8643 B18R2.282514 CC(O)CCNc1ccc2ccccc2c1O 34a_100000007060_100012276601 [0,1,0,0,0,1|2,0,0]=4 8644 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Br 34a_100000183829_100012276601 [0,1,0,0,0,1|1,0,0]=3 8645 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Br 7a_100000183829_100012276601 [0,1,0,0,0,1|1,0,0]=3 8646 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100012276601 [0,1,0,0,0,1|1,0,0]=3 8647 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100012276601 [0,1,0,0,0,1|1,0,0]=3 8648 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1I 34a_100000041551_100012276601 [0,1,0,0,0,1|1,0,0]=3 8649 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1I 7a_100000041551_100012276601 [0,1,0,0,0,1|1,0,0]=3 8650 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1N 34a_100000007056_100012276601 [0,1,0,0,0,1|1,0,0]=3 8651 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1N 7a_100000007056_100012276601 [0,1,0,0,0,1|1,0,0]=3 8652 B18R2.282514 CC(O)CCOc1ccc2cccnc2c1Br 34a_100010173343_100012276601 [0,1,0,0,0,1|2,0,0]=4 8653 B18R2.282514 CC(O)CCOc1ccc2cccnc2c1Br 7a_100010173343_100012276601 [0,1,0,0,0,1|2,0,0]=4 8654 B18R2.282514 CC(O)CCOc1ccc2ccncc2c1Br 34a_200010115057_100012276601 [0,1,0,0,0,1|2,0,0]=4 8655 B18R2.282514 CC(O)CCOc1ccc2ccncc2c1Br 7a_200010115057_100012276601 [0,1,0,0,0,1|2,0,0]=4 8656 B18R2.282514 CC(O)CCOc1ccc2cnccc2c1Cl 34a_100009824633_100012276601 [0,1,0,0,0,1|2,0,0]=4 8657 B18R2.282514 CC(O)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100012276601 [0,1,0,0,0,1|2,0,0]=4 8658 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1Br 62a_100012276601_200010089984 [0,1,0,0,0,1|1,1,0]=4 8659 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1Br 62a_200010089984_100012276601 [0,1,0,0,0,1|1,1,0]=4 8660 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1F 62a_100009832041_100012276601 [0,1,0,0,0,1|1,1,0]=4 8661 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1F 62a_100012276601_100009832041 [0,1,0,0,0,1|1,1,0]=4 8662 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1N 62a_100009817101_100012276601 [0,1,0,0,0,1|1,1,0]=4 8663 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1O 62a_100012276601_100009996032 [0,1,0,0,0,1|1,1,0]=4 8664 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 207a_100000210904_100009813496 [0,1,0,0,0,1|2,0,0]=4 8665 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 2230a_100000210904_100009813938 [0,1,0,0,0,1|2,0,0]=4 8666 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 270004a_100000210904_100009813496 [0,1,0,0,0,1|2,0,0]=4 8667 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 34a_100000210904_100009813938 [0,1,0,0,0,1|2,0,0]=4 8668 B18R2.282514 CC(O)CSCc1ccc2ccccc2c1Br 62a_100009813938_100011218427 [0,1,0,0,0,1|1,1,0]=4 8669 B18R2.282514 CC(O)CSCc1ccc2ccccc2c1Br 62a_100011218427_100009813938 [0,1,0,0,0,1|1,1,0]=4 8670 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000755713 [0,1,0,0,0,1|1,0,0]=3 8671 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000755713 [0,1,0,0,0,1|1,0,0]=3 8672 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000755713 [0,1,0,0,0,1|1,0,0]=3 8673 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000755713 [0,1,0,0,0,1|1,0,0]=3 8674 B18R2.282514 CN(C)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000755713 [0,1,0,0,0,1|2,0,0]=4 8675 B18R2.282514 CN(C)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000755713 [0,1,0,0,0,1|2,0,0]=4 8676 B18R2.282514 CN(C)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000755713 [0,1,0,0,0,1|2,0,0]=4 8677 B18R2.282514 CN(C)CCSc1ccc2ccccc2c1Br 62a_200010089984_100000755713 [0,1,0,0,0,1|1,1,0]=4 8678 B18R2.282514 CN(C)CCSc1ccc2ccccc2c1F 62a_100009832041_100000755713 [0,1,0,0,0,1|1,1,0]=4 8679 B18R2.282514 CN(C)CCSc1ccc2ccccc2c1N 62a_100009817101_100000755713 [0,1,0,0,0,1|1,1,0]=4 8680 B18R2.282514 C[C@@H](Cl)COCc1ccc2ccccc2c1Br 34a_100016084084_100009813938 [0,1,0,0,0,1|1,0,0]=3 8681 B18R2.282514 C[C@@H](N)COCc1ccc2ccccc2c1Br 34a_100000737577_100009813938 [0,1,0,0,0,1|1,0,0]=3 8682 B18R2.282514 C[C@@H](O)CSCc1ccc2ccccc2c1Br 62a_100009813938_100009817552 [0,1,0,0,0,1|1,1,0]=4 8683 B18R2.282514 C[C@@H](O)CSCc1ccc2ccccc2c1Br 62a_100009817552_100009813938 [0,1,0,0,0,1|1,1,0]=4 8684 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)C 34a_100009830054_100000210312 [0,1,0,0,0,1|0,0,0]=2 8685 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)C 7a_100009830054_100000210626 [0,1,0,0,0,1|0,0,0]=2 8686 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)O 34a_100009830054_100012276601 [0,1,0,0,0,1|1,0,0]=3 8687 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)O 7a_100009830054_100012276601 [0,1,0,0,0,1|1,0,0]=3 8688 B18R2.282514 Cc1c(ccc2c1cccc2)OCCN(C)C 7a_100009830054_100000755713 [0,1,0,0,0,1|1,0,0]=3 8689 B18R2.282514 Cc1c(ccc2c1cccc2)OCOC(C)C 34a_100009830054_100000709892 [0,1,0,0,0,1|0,0,0]=2 8690 B18R2.282514 Cc1c(ccc2c1cccc2)SCCC(C)O 62a_100010221197_100012276601 [0,1,0,0,0,1|1,1,0]=4 8691 B18R2.282514 Cc1c(ccc2c1cccc2)SCCC(C)O 62a_100012276601_100010221197 [0,1,0,0,0,1|1,1,0]=4 8692 B18R2.282514 Cc1c(ccc2c1cccc2)SCCN(C)C 62a_100010221197_100000755713 [0,1,0,0,0,1|1,1,0]=4 8693 B18R2.282514 Cc1c(ccc2c1cccc2)SCOC(C)C 62a_100000709892_100010221197 [0,1,0,0,0,1|0,1,0]=3 8694 B18R2.282514 Cc1c(ccc2c1cccc2)SCOC(C)C 62a_100010221197_100000709892 [0,1,0,0,0,1|0,1,0]=3 8695 B18R2.282514 Cc1c(ccc2c1cccn2)C=CCC(C)C 271570a_100016259101_200010137439 [0,1,0,0,0,1|2,0,0]=4 8696 B18R2.282514 Cc1c(ccc2c1cccn2)SCCC(C)C 62a_100000210312_200010137439 [0,1,0,0,0,1|1,1,0]=4 8697 B18R2.282514 Cc1c(ccc2c1cccn2)SCCC(C)C 62a_200010137439_100000210312 [0,1,0,0,0,1|1,1,0]=4 8698 B18R2.282514 Cc1c(ccc2c1cccn2)SCOC(C)C 62a_100000709892_200010137439 [0,1,0,0,0,1|1,1,0]=4 8699 B18R2.282514 Cc1c(ccc2c1cccn2)SCOC(C)C 62a_200010137439_100000709892 [0,1,0,0,0,1|1,1,0]=4 8700 B18R2.282514 Cc1c(ccc2c1nccc2)C=CCC(C)C 271570a_100016259101_100010214467 [0,1,0,0,0,1|2,0,0]=4 8701 B18R2.282514 Cc1c(ccc2c1nccc2)SCCC(C)C 62a_100000210312_100010214467 [0,1,0,0,0,1|1,1,0]=4 8702 B18R2.282514 Cc1c(ccc2c1nccc2)SCOC(C)C 62a_100000709892_100010214467 [0,1,0,0,0,1|1,1,0]=4 8703 B18R2.282514 FC(F)COCc1ccc2ccccc2c1Br 34a_100000743014_100009813938 [0,1,0,0,0,1|2,0,0]=4 8704 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000730704 [0,1,0,0,0,1|0,0,2]=4 8705 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000730704 [0,1,0,0,0,1|0,0,2]=4 8706 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000730704 [0,1,0,0,0,1|0,0,2]=4 8707 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000730704 [0,1,0,0,0,1|0,0,2]=4 8708 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000730704 [0,1,0,0,0,1|0,0,2]=4 8709 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000730704 [0,1,0,0,0,1|0,0,2]=4 8710 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000730704 [0,1,0,0,0,1|0,0,2]=4 8711 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000730704 [0,1,0,0,0,1|0,0,2]=4 8712 B18R2.483955 CC(=CCNc1ccc2cccc(c2c1)O)C 34a_100132313934_100000761012 [0,1,0,0,0,1|1,0,1]=4 8713 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)Br)C 34a_100010169565_100000761012 [0,1,0,0,0,1|0,0,1]=3 8714 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)Br)C 7a_100010169565_100000761012 [0,1,0,0,0,1|0,0,1]=3 8715 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)C)C 34a_200000091600_100000761012 [0,1,0,0,0,1|0,0,1]=3 8716 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)C)C 7a_200000091600_100000761012 [0,1,0,0,0,1|0,0,1]=3 8717 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)F)C 34a_100000091619_100000761012 [0,1,0,0,0,1|0,0,1]=3 8718 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)F)C 7a_100000091619_100000761012 [0,1,0,0,0,1|0,0,1]=3 8719 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)N)C 34a_100000034012_100000761012 [0,1,0,0,0,1|0,0,1]=3 8720 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)N)C 7a_100000034012_100000761012 [0,1,0,0,0,1|0,0,1]=3 8721 B18R2.483955 CC(=CCOc1ccc2ccnc(c2c1)Cl)C 34a_200009844553_100000761012 [0,1,0,0,0,1|1,0,1]=4 8722 B18R2.483955 CC(=CCOc1ccc2ccnc(c2c1)Cl)C 7a_200009844553_100000761012 [0,1,0,0,0,1|1,0,1]=4 8723 B18R2.483955 CC(=CCOc1ccc2nccc(c2c1)Br)C 34a_100010204251_100000761012 [0,1,0,0,0,1|1,0,1]=4 8724 B18R2.483955 CC(=CCOc1ccc2nccc(c2c1)Br)C 7a_100010204251_100000761012 [0,1,0,0,0,1|1,0,1]=4 8725 B18R2.483955 CC(=CCOc1ccc2nccc(c2c1)Cl)C 34a_100000075933_100000761012 [0,1,0,0,0,1|1,0,1]=4 8726 B18R2.483955 CC(=CCOc1ccc2nccc(c2c1)Cl)C 7a_100000075933_100000761012 [0,1,0,0,0,1|1,0,1]=4 8727 B18R2.483955 CC(=CCSc1ccc2cccc(c2c1)N)C 62a_100000761012_100010090012 [0,1,0,0,0,1|0,1,1]=4 8728 B18R2.483955 CC(=CCSc1ccc2cccc(c2c1)N)C 62a_100010090012_100000761012 [0,1,0,0,0,1|0,1,1]=4 8729 B18R2.483955 CC(=CCSc1ccc2cccc(c2c1)O)C 62a_100000761012_100010089991 [0,1,0,0,0,1|0,1,1]=4 8730 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000053229 [0,1,0,0,0,1|1,0,1]=4 8731 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000053229 [0,1,0,0,0,1|1,0,1]=4 8732 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000053229 [0,1,0,0,0,1|1,0,1]=4 8733 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000053229 [0,1,0,0,0,1|1,0,1]=4 8734 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)Br 34a_100010169565_100009813279 [0,1,0,0,0,1|1,0,1]=4 8735 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)C 34a_200000091600_100009813279 [0,1,0,0,0,1|1,0,1]=4 8736 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)F 34a_100000091619_100009813279 [0,1,0,0,0,1|1,0,1]=4 8737 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)N 34a_100000034012_100009813279 [0,1,0,0,0,1|1,0,1]=4 8738 B18R2.483955 CC(C)CC=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100016259101_100000746092 [0,1,0,0,0,1|2,0,0]=4 8739 B18R2.483955 CC(C)CC=Cc1ccc2cccc(c2c1)N 271570a_100016259101_100010090012 [0,1,0,0,0,1|1,0,0]=3 8740 B18R2.483955 CC(C)CC=Cc1ccc2cccc(c2c1)O 271570a_100016259101_100010089991 [0,1,0,0,0,1|1,0,0]=3 8741 B18R2.483955 CC(C)CC=Cc1ccc2cccc(c2n1)F 271570a_100016259101_100012017632 [0,1,0,0,0,1|2,0,0]=4 8742 B18R2.483955 CC(C)CC=Cc1ccc2cccc(c2n1)O 271570a_100016259101_100010153751 [0,1,0,0,0,1|2,0,0]=4 8743 B18R2.483955 CC(C)CC=Cc1ccc2ccnc(c2c1)N 271570a_100016259101_100012352255 [0,1,0,0,0,1|2,0,0]=4 8744 B18R2.483955 CC(C)CC=Cc1ccc2ccnc(c2c1)O 271570a_100016259101_100000010956 [0,1,0,0,0,1|2,0,0]=4 8745 B18R2.483955 CC(C)CC=Cc1ccc2cncc(c2c1)O 271570a_100016259101_100010136424 [0,1,0,0,0,1|2,0,0]=4 8746 B18R2.483955 CC(C)CC=Cc1ccc2nccc(c2c1)Cl 271570a_100016259101_100011310491 [0,1,0,0,0,1|2,0,0]=4 8747 B18R2.483955 CC(C)CC=Cc1ccc2nccc(c2c1)N 271570a_100016259101_100011620571 [0,1,0,0,0,1|2,0,0]=4 8748 B18R2.483955 CC(C)CC=Cc1ccc2occc(=O)c2c1 271570a_100016259101_100009813387 [0,1,0,0,0,1|2,0,0]=4 8749 B18R2.483955 CC(C)CC=Cc1cnc2cccc(c2c1)N 271570a_100016259101_100010264086 [0,1,0,0,0,1|2,0,0]=4 8750 B18R2.483955 CC(C)CC=Cc1cnc2cccc(c2c1)O 271570a_100016259101_200010153752 [0,1,0,0,0,1|2,0,0]=4 8751 B18R2.483955 CC(C)CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210312 [0,1,0,0,0,1|1,0,0]=3 8752 B18R2.483955 CC(C)CCNc1ccc2cccc(c2n1)O 27a_100000210545_100010153751 [0,1,0,0,0,1|2,0,0]=4 8753 B18R2.483955 CC(C)CCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210312 [0,1,0,0,0,1|2,0,0]=4 8754 B18R2.483955 CC(C)CCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210312 [0,1,0,0,0,1|2,0,0]=4 8755 B18R2.483955 CC(C)CCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210312 [0,1,0,0,0,1|2,0,0]=4 8756 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210312 [0,1,0,0,0,1|0,0,0]=2 8757 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210626 [0,1,0,0,0,1|0,0,0]=2 8758 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210312 [0,1,0,0,0,1|0,0,0]=2 8759 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210626 [0,1,0,0,0,1|0,0,0]=2 8760 B18R2.483955 CC(C)CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210312 [0,1,0,0,0,1|1,0,0]=3 8761 B18R2.483955 CC(C)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210626 [0,1,0,0,0,1|1,0,0]=3 8762 B18R2.483955 CC(C)CCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210626 [0,1,0,0,0,1|2,0,0]=4 8763 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210312 [0,1,0,0,0,1|1,0,0]=3 8764 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210626 [0,1,0,0,0,1|1,0,0]=3 8765 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210312 [0,1,0,0,0,1|1,0,0]=3 8766 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210626 [0,1,0,0,0,1|1,0,0]=3 8767 B18R2.483955 CC(C)CCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210312_100000746092 [0,1,0,0,0,1|1,1,0]=4 8768 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)N 62a_100000210312_100010090012 [0,1,0,0,0,1|0,1,0]=3 8769 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210312 [0,1,0,0,0,1|0,1,0]=3 8770 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)O 62a_100000210312_100010089991 [0,1,0,0,0,1|0,1,0]=3 8771 B18R2.483955 CC(C)CCSc1ccc2cccc(c2n1)F 62a_100000210312_100012017632 [0,1,0,0,0,1|1,1,0]=4 8772 B18R2.483955 CC(C)CCSc1ccc2cccc(c2n1)O 62a_100000210312_100000013812 [0,1,0,0,0,1|1,1,0]=4 8773 B18R2.483955 CC(C)CCSc1ccc2ccnc(c2c1)N 62a_100000210312_100012352255 [0,1,0,0,0,1|1,1,0]=4 8774 B18R2.483955 CC(C)CCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210312 [0,1,0,0,0,1|1,1,0]=4 8775 B18R2.483955 CC(C)CCSc1ccc2ccnc(c2c1)O 62a_100000210312_100000010956 [0,1,0,0,0,1|1,1,0]=4 8776 B18R2.483955 CC(C)CCSc1ccc2cncc(c2c1)O 62a_100000210312_100010136424 [0,1,0,0,0,1|1,1,0]=4 8777 B18R2.483955 CC(C)CCSc1ccc2nccc(c2c1)N 62a_100000210312_100011620571 [0,1,0,0,0,1|1,1,0]=4 8778 B18R2.483955 CC(C)CCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210312 [0,1,0,0,0,1|1,1,0]=4 8779 B18R2.483955 CC(C)CCSc1ccc2occc(=O)c2c1 62a_100000210312_100009813387 [0,1,0,0,0,1|1,1,0]=4 8780 B18R2.483955 CC(C)CCSc1cnc2cccc(c2c1)N 62a_100000210312_100010264086 [0,1,0,0,0,1|1,1,0]=4 8781 B18R2.483955 CC(C)CCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210312 [0,1,0,0,0,1|1,1,0]=4 8782 B18R2.483955 CC(C)CCSc1cnc2cccc(c2c1)O 62a_100000210312_200010153752 [0,1,0,0,0,1|1,1,0]=4 8783 B18R2.483955 CC(C)CNCc1ccc2cccc(c2c1)Br 26a_100000210953_100010169565 [0,1,0,0,0,1|1,0,0]=3 8784 B18R2.483955 CC(C)CNCc1ccc2cccc(c2n1)Cl 207a_100000210953_200000068262 [0,1,0,0,0,1|2,0,0]=4 8785 B18R2.483955 CC(C)CNCc1ccc2cccc(c2n1)Cl 270004a_100000210953_200000068262 [0,1,0,0,0,1|2,0,0]=4 8786 B18R2.483955 CC(C)CNCc1ccc2cccc(c2n1)F 207a_100000210953_100000068176 [0,1,0,0,0,1|2,0,0]=4 8787 B18R2.483955 CC(C)CNCc1ccc2cccc(c2n1)F 270004a_100000210953_100000068176 [0,1,0,0,0,1|2,0,0]=4 8788 B18R2.483955 CC(C)CNCc1ccc2ccnc(c2c1)Cl 207a_100000210953_100000094387 [0,1,0,0,0,1|2,0,0]=4 8789 B18R2.483955 CC(C)CNCc1ccc2nccc(c2c1)Br 26a_100000210953_100010204251 [0,1,0,0,0,1|2,0,0]=4 8790 B18R2.483955 CC(C)COCc1ccc2ncnc(c2c1)Cl 34a_100000210257_200010205392 [0,1,0,0,0,1|2,0,0]=4 8791 B18R2.483955 CC(C)OCNc1ccc2cccc(c2c1)O 34a_100132313934_100000709892 [0,1,0,0,0,1|1,0,0]=3 8792 B18R2.483955 CC(C)OCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000709892 [0,1,0,0,0,1|2,0,0]=4 8793 B18R2.483955 CC(C)OCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000709892 [0,1,0,0,0,1|2,0,0]=4 8794 B18R2.483955 CC(C)OCNc1ccc2occc(=O)c2c1 34a_100000088200_100000709892 [0,1,0,0,0,1|2,0,0]=4 8795 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000709892 [0,1,0,0,0,1|0,0,0]=2 8796 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)F 34a_100000091619_100000709892 [0,1,0,0,0,1|0,0,0]=2 8797 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)N 34a_100000034012_100000709892 [0,1,0,0,0,1|0,0,0]=2 8798 B18R2.483955 CC(C)OCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000709892 [0,1,0,0,0,1|1,0,0]=3 8799 B18R2.483955 CC(C)OCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000709892 [0,1,0,0,0,1|1,0,0]=3 8800 B18R2.483955 CC(C)OCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000709892 [0,1,0,0,0,1|1,0,0]=3 8801 B18R2.483955 CC(C)OCSc1ccc2[nH]ccc(=O)c2c1 62a_100000709892_100000746092 [0,1,0,0,0,1|1,1,0]=4 8802 B18R2.483955 CC(C)OCSc1ccc2cccc(c2c1)N 62a_100000709892_100010090012 [0,1,0,0,0,1|0,1,0]=3 8803 B18R2.483955 CC(C)OCSc1ccc2cccc(c2c1)N 62a_100010090012_100000709892 [0,1,0,0,0,1|0,1,0]=3 8804 B18R2.483955 CC(C)OCSc1ccc2cccc(c2c1)O 62a_100000709892_100010089991 [0,1,0,0,0,1|0,1,0]=3 8805 B18R2.483955 CC(C)OCSc1ccc2cccc(c2n1)F 62a_100000709892_100012017632 [0,1,0,0,0,1|1,1,0]=4 8806 B18R2.483955 CC(C)OCSc1ccc2cccc(c2n1)O 62a_100000709892_100000013812 [0,1,0,0,0,1|1,1,0]=4 8807 B18R2.483955 CC(C)OCSc1ccc2ccnc(c2c1)N 62a_100000709892_100012352255 [0,1,0,0,0,1|1,1,0]=4 8808 B18R2.483955 CC(C)OCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000709892 [0,1,0,0,0,1|1,1,0]=4 8809 B18R2.483955 CC(C)OCSc1ccc2ccnc(c2c1)O 62a_100000709892_100000010956 [0,1,0,0,0,1|1,1,0]=4 8810 B18R2.483955 CC(C)OCSc1ccc2cncc(c2c1)O 62a_100000709892_100010136424 [0,1,0,0,0,1|1,1,0]=4 8811 B18R2.483955 CC(C)OCSc1ccc2nccc(c2c1)Cl 62a_100000709892_100011310491 [0,1,0,0,0,1|1,1,0]=4 8812 B18R2.483955 CC(C)OCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000709892 [0,1,0,0,0,1|1,1,0]=4 8813 B18R2.483955 CC(C)OCSc1ccc2nccc(c2c1)N 62a_100000709892_100011620571 [0,1,0,0,0,1|1,1,0]=4 8814 B18R2.483955 CC(C)OCSc1ccc2nccc(c2c1)N 62a_100011620571_100000709892 [0,1,0,0,0,1|1,1,0]=4 8815 B18R2.483955 CC(C)OCSc1ccc2occc(=O)c2c1 62a_100000709892_100009813387 [0,1,0,0,0,1|1,1,0]=4 8816 B18R2.483955 CC(C)OCSc1cnc2cccc(c2c1)N 62a_100000709892_100010264086 [0,1,0,0,0,1|1,1,0]=4 8817 B18R2.483955 CC(C)OCSc1cnc2cccc(c2c1)N 62a_100010264086_100000709892 [0,1,0,0,0,1|1,1,0]=4 8818 B18R2.483955 CC(C)OCSc1cnc2cccc(c2c1)O 62a_100000709892_200010153752 [0,1,0,0,0,1|1,1,0]=4 8819 B18R2.483955 CC(O)CCNc1ccc2cccc(c2c1)O 34a_100132313934_100012276601 [0,1,0,0,0,1|2,0,0]=4 8820 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100012276601 [0,1,0,0,0,1|1,0,0]=3 8821 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100012276601 [0,1,0,0,0,1|1,0,0]=3 8822 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100012276601 [0,1,0,0,0,1|1,0,0]=3 8823 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100012276601 [0,1,0,0,0,1|1,0,0]=3 8824 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100012276601 [0,1,0,0,0,1|1,0,0]=3 8825 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100012276601 [0,1,0,0,0,1|1,0,0]=3 8826 B18R2.483955 CC(O)CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100012276601 [0,1,0,0,0,1|2,0,0]=4 8827 B18R2.483955 CC(O)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100012276601 [0,1,0,0,0,1|2,0,0]=4 8828 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100012276601 [0,1,0,0,0,1|2,0,0]=4 8829 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100012276601 [0,1,0,0,0,1|2,0,0]=4 8830 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100012276601 [0,1,0,0,0,1|2,0,0]=4 8831 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100012276601 [0,1,0,0,0,1|2,0,0]=4 8832 B18R2.483955 CC(O)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100012276601 [0,1,0,0,0,1|1,1,0]=4 8833 B18R2.483955 CC(O)CCSc1ccc2cccc(c2c1)N 62a_100012276601_100010090012 [0,1,0,0,0,1|1,1,0]=4 8834 B18R2.483955 CC(O)CCSc1ccc2cccc(c2c1)O 62a_100012276601_100010089991 [0,1,0,0,0,1|1,1,0]=4 8835 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000755713 [0,1,0,0,0,1|1,0,0]=3 8836 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000755713 [0,1,0,0,0,1|1,0,0]=3 8837 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000755713 [0,1,0,0,0,1|1,0,0]=3 8838 B18R2.483955 CN(C)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000755713 [0,1,0,0,0,1|2,0,0]=4 8839 B18R2.483955 CN(C)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000755713 [0,1,0,0,0,1|2,0,0]=4 8840 B18R2.483955 CN(C)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000755713 [0,1,0,0,0,1|2,0,0]=4 8841 B18R2.483955 CN(C)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000755713 [0,1,0,0,0,1|1,1,0]=4 8842 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)C 34a_200000091600_100000210312 [0,1,0,0,0,1|0,0,0]=2 8843 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)C 7a_200000091600_100000210626 [0,1,0,0,0,1|0,0,0]=2 8844 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)O 34a_200000091600_100012276601 [0,1,0,0,0,1|1,0,0]=3 8845 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)O 7a_200000091600_100012276601 [0,1,0,0,0,1|1,0,0]=3 8846 B18R2.483955 Cc1cccc2c1cc(cc2)OCCN(C)C 7a_200000091600_100000755713 [0,1,0,0,0,1|1,0,0]=3 8847 B18R2.483955 Cc1cccc2c1cc(cc2)OCOC(C)C 34a_200000091600_100000709892 [0,1,0,0,0,1|0,0,0]=2 8848 B18R2.483955 Cc1cccc2c1cc(cc2)SCCC(C)O 62a_100012276601_100010089936 [0,1,0,0,0,1|1,1,0]=4 8849 B18R2.483955 Cc1cccc2c1cc(cc2)SCOC(C)C 62a_100000709892_100010089936 [0,1,0,0,0,1|0,1,0]=3 8850 B18R2.483955 Cc1cccc2c1nc(cc2)C=CCC(C)C 271570a_100016259101_100012002297 [0,1,0,0,0,1|2,0,0]=4 8851 B18R2.483955 Cc1cccc2c1nc(cc2)NCCC(C)C 27a_100000210545_100012002297 [0,1,0,0,0,1|2,0,0]=4 8852 B18R2.483955 Cc1cccc2c1nc(cc2)SCCC(C)C 62a_100000210312_100012002297 [0,1,0,0,0,1|1,1,0]=4 8853 B18R2.483955 Cc1cccc2c1nc(cc2)SCOC(C)C 62a_100000709892_100012002297 [0,1,0,0,0,1|1,1,0]=4 8854 B18R2.483955 Cc1ccnc2c1cc(cc2)C=CCC(C)C 271570a_100016259101_100009817033 [0,1,0,0,0,1|2,0,0]=4 8855 B18R2.483955 Cc1ccnc2c1cc(cc2)SCCC(C)C 62a_100000210312_100009817033 [0,1,0,0,0,1|1,1,0]=4 8856 B18R2.483955 Cc1ccnc2c1cc(cc2)SCCC(C)C 62a_100009817033_100000210312 [0,1,0,0,0,1|1,1,0]=4 8857 B18R2.483955 Cc1ccnc2c1cc(cc2)SCOC(C)C 62a_100000709892_100009817033 [0,1,0,0,0,1|1,1,0]=4 8858 B18R2.483955 Cc1ccnc2c1cc(cc2)SCOC(C)C 62a_100009817033_100000709892 [0,1,0,0,0,1|1,1,0]=4 8859 B18R2.483955 Cc1nccc2c1cc(cc2)C=CCC(C)C 271570a_100016259101_200010739692 [0,1,0,0,0,1|2,0,0]=4 8860 B18R2.483955 Cc1nccc2c1cc(cc2)SCCC(C)C 62a_100000210312_200010739692 [0,1,0,0,0,1|1,1,0]=4 8861 B18R2.483955 Cc1nccc2c1cc(cc2)SCCC(C)C 62a_200010739692_100000210312 [0,1,0,0,0,1|1,1,0]=4 8862 B18R2.483955 Cc1nccc2c1cc(cc2)SCOC(C)C 62a_100000709892_200010739692 [0,1,0,0,0,1|1,1,0]=4 8863 B18R2.483955 Cc1nccc2c1cc(cc2)SCOC(C)C 62a_200010739692_100000709892 [0,1,0,0,0,1|1,1,0]=4 8864 B18R2.29981 CC(C)CC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000210624 [0,1,0,0,0,1|1,0,0]=3 8865 B18R2.29981 CC(C)NC(=O)C1=Cc2ccccc2OC=C1 11a_100138425928_200000089061 [0,1,0,0,0,1|2,0,0]=4 8866 B18R2.29981 CC(C)NC(=O)C1=Cc2ccccc2OC=C1 1626a_100138425928_200000089061 [0,1,0,0,0,1|2,0,0]=4 8867 B18R2.29981 CC(C)NC(=O)C1=Cc2ccccc2OC=C1 240690a_100138425928_200000089061 [0,1,0,0,0,1|2,0,0]=4 8868 B18R2.29981 CC(O)CC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100011218427 [0,1,0,0,0,1|2,0,0]=4 8869 B18R2.5834 C#CC(C)(C)NCc1ccc2ccccc2c1 270004a_100000054563_100000211584 [0,2,0,0,0,0|2,0,0]=4 8870 B18R2.5834 C#CC(C)(C)NCc1ccc2ccccc2c1 34a_100000054563_100011216711 [0,2,0,0,0,0|2,0,0]=4 8871 B18R2.5834 C#CC(C)(C)NCc1ccc2ccccc2c1 34a_100000739491_100000038118 [0,2,0,0,0,0|2,0,0]=4 8872 B18R2.5834 C#CC(C)(C)OCc1ccc2ccccc2c1 34a_100000189450_100011216711 [0,2,0,0,0,0|2,0,0]=4 8873 B18R2.5834 C#CC(C)(C)OCc1ccc2ccccc2c1 34a_100011215330_100000038118 [0,2,0,0,0,0|2,0,0]=4 8874 B18R2.5834 C#CC(C)(C)OCc1ccc2ccccc2c1 7a_100000189450_100011216711 [0,2,0,0,0,0|2,0,0]=4 8875 B18R2.5834 C#CC(C)(C)SCc1ccc2ccccc2c1 62a_100000038118_100011216711 [0,2,0,0,0,0|2,0,0]=4 8876 B18R2.5834 C#CC(C)(C)SCc1ccc2ccccc2c1 62a_100011216711_100000038118 [0,2,0,0,0,0|2,0,0]=4 8877 B18R2.5834 C=CC(C)(C)OCc1ccc2ccccc2c1 34a_100011215311_100011216711 [0,2,0,0,0,0|2,0,0]=4 8878 B18R2.5834 C=CC(C)(C)OCc1ccc2ccccc2c1 7a_100011215311_100011216711 [0,2,0,0,0,0|2,0,0]=4 8879 B18R2.5834 C=C[Si](C)(C)CSc1ccc2ccccc2c1 62a_100000038793_100000233703 [0,2,0,0,0,0|0,2,0]=4 8880 B18R2.5834 CC(C)(C#N)NCc1ccc2ccccc2c1 34a_100000739491_100011162410 [0,2,0,0,0,0|2,0,0]=4 8881 B18R2.5834 CC(C)(C#N)OCc1ccc2ccccc2c1 34a_100011215330_100011162410 [0,2,0,0,0,0|2,0,0]=4 8882 B18R2.5834 CC(C)(C#N)OCc1ccc2ccccc2c1 34a_200015195151_100011216711 [0,2,0,0,0,0|2,0,0]=4 8883 B18R2.5834 CC(C)(C#N)OCc1ccc2ccccc2c1 7a_100011215330_100011162410 [0,2,0,0,0,0|2,0,0]=4 8884 B18R2.5834 CC(C)(C#N)SCc1ccc2ccccc2c1 62a_100011162410_100011216711 [0,2,0,0,0,0|2,0,0]=4 8885 B18R2.5834 CC(C)(C#N)SCc1ccc2ccccc2c1 62a_100011216711_100011162410 [0,2,0,0,0,0|2,0,0]=4 8886 B18R2.5834 CC(C)(CCl)OCc1ccc2ccccc2c1 7a_100000764493_100011216711 [0,2,0,0,0,0|2,0,0]=4 8887 B18R2.5834 CC(C)(CO)CNc1ccc2ccccc2c1 34a_100000211940_100009813988 [0,2,0,0,0,0|1,0,0]=3 8888 B18R2.5834 CC(C)(CO)CNc1ccc2ccccc2c1 7a_100000211940_100009813988 [0,2,0,0,0,0|1,0,0]=3 8889 B18R2.5834 CC(C)(CO)CNc1ccc2ccccc2n1 27a_100020635058_100011291633 [0,2,0,0,0,0|2,0,0]=4 8890 B18R2.5834 CC(C)(CO)CNc1ccc2cccnc2c1 34a_100102887122_100009813988 [0,2,0,0,0,0|2,0,0]=4 8891 B18R2.5834 CC(C)(CO)CNc1ccc2cnccc2c1 34a_100000039641_100009813988 [0,2,0,0,0,0|2,0,0]=4 8892 B18R2.5834 CC(C)(CO)CNc1ccc2ncccc2c1 34a_100011198106_100009813988 [0,2,0,0,0,0|2,0,0]=4 8893 B18R2.5834 CC(C)(CO)COc1ccc2ccccc2c1 34a_100000185828_100009813988 [0,2,0,0,0,0|0,0,0]=2 8894 B18R2.5834 CC(C)(CO)COc1ccc2ccccc2c1 7a_100000185828_100009813988 [0,2,0,0,0,0|0,0,0]=2 8895 B18R2.5834 CC(C)(CO)COc1ccc2cccnc2c1 34a_100011216045_100009813988 [0,2,0,0,0,0|1,0,0]=3 8896 B18R2.5834 CC(C)(CO)COc1ccc2ccncc2c1 7a_100000752006_100009813988 [0,2,0,0,0,0|1,0,0]=3 8897 B18R2.5834 CC(C)(CO)COc1ccc2cnccc2c1 34a_100000046372_100009813988 [0,2,0,0,0,0|1,0,0]=3 8898 B18R2.5834 CC(C)(CO)COc1ccc2cnccc2c1 7a_100000046372_100009813988 [0,2,0,0,0,0|1,0,0]=3 8899 B18R2.5834 CC(C)(CO)COc1ccc2ncccc2c1 34a_100011215586_100009813988 [0,2,0,0,0,0|1,0,0]=3 8900 B18R2.5834 CC(C)(CO)COc1ccc2ncccc2c1 7a_100011215586_100009813988 [0,2,0,0,0,0|1,0,0]=3 8901 B18R2.5834 CC(C)(CO)COc1ccc2nccnc2c1 34a_100000694412_100009813988 [0,2,0,0,0,0|2,0,0]=4 8902 B18R2.5834 CC(C)(CO)COc1cnc2ccccc2c1 34a_100011934006_100009813988 [0,2,0,0,0,0|1,0,0]=3 8903 B18R2.5834 CC(C)(CO)COc1cnc2ccccc2c1 7a_100011934006_100009813988 [0,2,0,0,0,0|1,0,0]=3 8904 B18R2.5834 CC(C)(CO)CSc1cc2ccccc2cn1 62a_100009813988_100000047361 [0,2,0,0,0,0|1,1,0]=4 8905 B18R2.5834 CC(C)(CO)CSc1cc2ccccc2cn1 62a_100009816522_100009813988 [0,2,0,0,0,0|1,1,0]=4 8906 B18R2.5834 CC(C)(CO)CSc1ccc2ccccc2c1 62a_100009813988_100000233703 [0,2,0,0,0,0|0,1,0]=3 8907 B18R2.5834 CC(C)(CO)CSc1ccc2ccccc2n1 62a_100009813988_100011291633 [0,2,0,0,0,0|1,1,0]=4 8908 B18R2.5834 CC(C)(CO)CSc1ccc2ccccc2n1 62a_100011291633_100009813988 [0,2,0,0,0,0|1,1,0]=4 8909 B18R2.5834 CC(C)(CO)CSc1ccc2cccnc2c1 62a_100009813988_100009816655 [0,2,0,0,0,0|1,1,0]=4 8910 B18R2.5834 CC(C)(CO)CSc1ccc2ccncc2c1 62a_100000686496_100009813988 [0,2,0,0,0,0|1,1,0]=4 8911 B18R2.5834 CC(C)(CO)CSc1ccc2ccncc2c1 62a_100009813988_100000686496 [0,2,0,0,0,0|1,1,0]=4 8912 B18R2.5834 CC(C)(CO)CSc1ccc2cnccc2c1 62a_100009813988_100009816743 [0,2,0,0,0,0|1,1,0]=4 8913 B18R2.5834 CC(C)(CO)CSc1ccc2cnccc2c1 62a_100009816743_100009813988 [0,2,0,0,0,0|1,1,0]=4 8914 B18R2.5834 CC(C)(CO)CSc1ccc2ncccc2c1 62a_100009813988_100011215947 [0,2,0,0,0,0|1,1,0]=4 8915 B18R2.5834 CC(C)(CO)CSc1ccc2ncccc2c1 62a_100011215947_100009813988 [0,2,0,0,0,0|1,1,0]=4 8916 B18R2.5834 CC(C)(CO)CSc1cnc2ccccc2c1 62a_100009813988_100000737414 [0,2,0,0,0,0|1,1,0]=4 8917 B18R2.5834 CC(C)(CO)NCc1ccc2ccccc2c1 207a_100000210608_100000211584 [0,2,0,0,0,0|2,0,0]=4 8918 B18R2.5834 CC(C)(CO)NCc1ccc2ccccc2c1 2230a_100000210608_100011216711 [0,2,0,0,0,0|2,0,0]=4 8919 B18R2.5834 CC(C)(CO)NCc1ccc2ccccc2c1 270004a_100000210608_100000211584 [0,2,0,0,0,0|2,0,0]=4 8920 B18R2.5834 CCC(C)(C)NCc1ccc2ccccc2c1 207a_100000211385_100000211584 [0,2,0,0,0,0|2,0,0]=4 8921 B18R2.5834 CCC(C)(C)NCc1ccc2ccccc2c1 2230a_100000211385_100011216711 [0,2,0,0,0,0|2,0,0]=4 8922 B18R2.5834 CCC(C)(C)NCc1ccc2ccccc2c1 270004a_100000211385_100000211584 [0,2,0,0,0,0|2,0,0]=4 8923 B18R2.5834 CCC(C)(C)OCc1ccc2ccccc2c1 7a_100000210230_100011216711 [0,2,0,0,0,0|2,0,0]=4 8924 B18R2.5834 CCC(C)(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210677 [0,2,0,0,0,0|2,0,0]=4 8925 B18R2.5834 COC(C)(C)CNc1ccc2ccccc2c1 34a_100000211940_100000701081 [0,2,0,0,0,0|1,0,0]=3 8926 B18R2.5834 COC(C)(C)CNc1ccc2ccccc2n1 27a_100000763424_100011291633 [0,2,0,0,0,0|2,0,0]=4 8927 B18R2.5834 COC(C)(C)CNc1ccc2cccnc2c1 34a_100102887122_100000701081 [0,2,0,0,0,0|2,0,0]=4 8928 B18R2.5834 COC(C)(C)CNc1ccc2cnccc2c1 34a_100000039641_100000701081 [0,2,0,0,0,0|2,0,0]=4 8929 B18R2.5834 COC(C)(C)CNc1ccc2ncccc2c1 34a_100011198106_100000701081 [0,2,0,0,0,0|2,0,0]=4 8930 B18R2.5834 COC(C)(C)COc1ccc2ccccc2c1 34a_100000185828_100000701081 [0,2,0,0,0,0|0,0,0]=2 8931 B18R2.5834 COC(C)(C)COc1ccc2cccnc2c1 34a_100011216045_100000701081 [0,2,0,0,0,0|1,0,0]=3 8932 B18R2.5834 COC(C)(C)COc1ccc2cnccc2c1 34a_100000046372_100000701081 [0,2,0,0,0,0|1,0,0]=3 8933 B18R2.5834 COC(C)(C)COc1ccc2ncccc2c1 34a_100011215586_100000701081 [0,2,0,0,0,0|1,0,0]=3 8934 B18R2.5834 COC(C)(C)COc1ccc2nccnc2c1 34a_100000694412_100000701081 [0,2,0,0,0,0|2,0,0]=4 8935 B18R2.5834 COC(C)(C)COc1cnc2ccccc2c1 34a_100011934006_100000701081 [0,2,0,0,0,0|1,0,0]=3 8936 B18R2.5834 COC(C)(C)CSc1cc2ccccc2cn1 62a_100000701081_100000047361 [0,2,0,0,0,0|1,1,0]=4 8937 B18R2.5834 COC(C)(C)CSc1cc2ccccc2cn1 62a_100009816522_100000701081 [0,2,0,0,0,0|1,1,0]=4 8938 B18R2.5834 COC(C)(C)CSc1ccc2ccccc2c1 62a_100000701081_100000233703 [0,2,0,0,0,0|0,1,0]=3 8939 B18R2.5834 COC(C)(C)CSc1ccc2ccccc2n1 62a_100000701081_100011291633 [0,2,0,0,0,0|1,1,0]=4 8940 B18R2.5834 COC(C)(C)CSc1ccc2ccccc2n1 62a_100011291633_100000701081 [0,2,0,0,0,0|1,1,0]=4 8941 B18R2.5834 COC(C)(C)CSc1ccc2cccnc2c1 62a_100000701081_100009816655 [0,2,0,0,0,0|1,1,0]=4 8942 B18R2.5834 COC(C)(C)CSc1ccc2ccncc2c1 62a_100000686496_100000701081 [0,2,0,0,0,0|1,1,0]=4 8943 B18R2.5834 COC(C)(C)CSc1ccc2ccncc2c1 62a_100000701081_100000686496 [0,2,0,0,0,0|1,1,0]=4 8944 B18R2.5834 COC(C)(C)CSc1ccc2cnccc2c1 62a_100000701081_100009816743 [0,2,0,0,0,0|1,1,0]=4 8945 B18R2.5834 COC(C)(C)CSc1ccc2cnccc2c1 62a_100009816743_100000701081 [0,2,0,0,0,0|1,1,0]=4 8946 B18R2.5834 COC(C)(C)CSc1ccc2ncccc2c1 62a_100000701081_100011215947 [0,2,0,0,0,0|1,1,0]=4 8947 B18R2.5834 COC(C)(C)CSc1ccc2ncccc2c1 62a_100011215947_100000701081 [0,2,0,0,0,0|1,1,0]=4 8948 B18R2.5834 COC(C)(C)CSc1cnc2ccccc2c1 62a_100000701081_100000737414 [0,2,0,0,0,0|1,1,0]=4 8949 B18R2.6889 CCC(CC)CNc1ccc2ccccc2c1 34a_100000211940_100011215472 [0,2,0,0,0,0|1,0,0]=3 8950 B18R2.6889 CCC(CC)CNc1ccc2ccccc2c1 7a_100000211940_100011215472 [0,2,0,0,0,0|1,0,0]=3 8951 B18R2.6889 CCC(CC)CNc1ccc2ccccc2n1 27a_100102946423_100011291633 [0,2,0,0,0,0|2,0,0]=4 8952 B18R2.6889 CCC(CC)CNc1ccc2cccnc2c1 34a_100102887122_100011215472 [0,2,0,0,0,0|2,0,0]=4 8953 B18R2.6889 CCC(CC)CNc1ccc2cnccc2c1 34a_100000039641_100011215472 [0,2,0,0,0,0|2,0,0]=4 8954 B18R2.6889 CCC(CC)CNc1ccc2ncccc2c1 34a_100011198106_100011215472 [0,2,0,0,0,0|2,0,0]=4 8955 B18R2.6889 CCC(CC)COc1ccc2ccccc2c1 34a_100000185828_100011215472 [0,2,0,0,0,0|0,0,0]=2 8956 B18R2.6889 CCC(CC)COc1ccc2ccccc2c1 7a_100000185828_100011215472 [0,2,0,0,0,0|0,0,0]=2 8957 B18R2.6889 CCC(CC)COc1ccc2cccnc2c1 34a_100011216045_100011215472 [0,2,0,0,0,0|1,0,0]=3 8958 B18R2.6889 CCC(CC)COc1ccc2ccncc2c1 7a_100000752006_100011215472 [0,2,0,0,0,0|1,0,0]=3 8959 B18R2.6889 CCC(CC)COc1ccc2cnccc2c1 34a_100000046372_100011215472 [0,2,0,0,0,0|1,0,0]=3 8960 B18R2.6889 CCC(CC)COc1ccc2cnccc2c1 7a_100000046372_100011215472 [0,2,0,0,0,0|1,0,0]=3 8961 B18R2.6889 CCC(CC)COc1ccc2ncccc2c1 34a_100011215586_100011215472 [0,2,0,0,0,0|1,0,0]=3 8962 B18R2.6889 CCC(CC)COc1ccc2ncccc2c1 7a_100011215586_100011215472 [0,2,0,0,0,0|1,0,0]=3 8963 B18R2.6889 CCC(CC)COc1ccc2nccnc2c1 34a_100000694412_100011215472 [0,2,0,0,0,0|2,0,0]=4 8964 B18R2.6889 CCC(CC)COc1cnc2ccccc2c1 34a_100011934006_100011215472 [0,2,0,0,0,0|1,0,0]=3 8965 B18R2.6889 CCC(CC)COc1cnc2ccccc2c1 7a_100011934006_100011215472 [0,2,0,0,0,0|1,0,0]=3 8966 B18R2.6889 CCC(CC)CSc1cc2ccccc2cn1 62a_100009816522_100011215472 [0,2,0,0,0,0|1,1,0]=4 8967 B18R2.6889 CCC(CC)CSc1cc2ccccc2cn1 62a_100011215472_100000047361 [0,2,0,0,0,0|1,1,0]=4 8968 B18R2.6889 CCC(CC)CSc1ccc2ccccc2n1 62a_100011215472_100011291633 [0,2,0,0,0,0|1,1,0]=4 8969 B18R2.6889 CCC(CC)CSc1ccc2ccccc2n1 62a_100011291633_100011215472 [0,2,0,0,0,0|1,1,0]=4 8970 B18R2.6889 CCC(CC)CSc1ccc2cccnc2c1 62a_100011215472_100009816655 [0,2,0,0,0,0|1,1,0]=4 8971 B18R2.6889 CCC(CC)CSc1ccc2ccncc2c1 62a_100000686496_100011215472 [0,2,0,0,0,0|1,1,0]=4 8972 B18R2.6889 CCC(CC)CSc1ccc2ccncc2c1 62a_100011215472_100000686496 [0,2,0,0,0,0|1,1,0]=4 8973 B18R2.6889 CCC(CC)CSc1ccc2cnccc2c1 62a_100009816743_100011215472 [0,2,0,0,0,0|1,1,0]=4 8974 B18R2.6889 CCC(CC)CSc1ccc2cnccc2c1 62a_100011215472_100009816743 [0,2,0,0,0,0|1,1,0]=4 8975 B18R2.6889 CCC(CC)CSc1ccc2ncccc2c1 62a_100011215472_100011215947 [0,2,0,0,0,0|1,1,0]=4 8976 B18R2.6889 CCC(CC)CSc1ccc2ncccc2c1 62a_100011215947_100011215472 [0,2,0,0,0,0|1,1,0]=4 8977 B18R2.6889 CCC(CC)CSc1cnc2ccccc2c1 62a_100011215472_100000737414 [0,2,0,0,0,0|1,1,0]=4 8978 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 207a_100000199018_100000211584 [0,2,0,0,0,0|2,0,0]=4 8979 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 2230a_100000199018_100011216711 [0,2,0,0,0,0|2,0,0]=4 8980 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 270004a_100000199018_100000211584 [0,2,0,0,0,0|2,0,0]=4 8981 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 270004a_100000739491_100000210860 [0,2,0,0,0,0|2,0,0]=4 8982 B18R2.6889 CCC(CC)OCc1ccc2ccccc2c1 7a_100000688536_100011216711 [0,2,0,0,0,0|2,0,0]=4 8983 B18R2.6889 CCC(CC)OCc1ccc2ccccc2c1 7a_100011215330_100000210505 [0,2,0,0,0,0|2,0,0]=4 8984 B18R2.6889 CCC(CNc1ccc2ccccc2n1)OC 27a_100000731041_100011291633 [0,2,0,0,0,0|2,0,0]=4 8985 B18R2.6889 CC[C@@H](CO)NCc1ccc2ccccc2c1 207a_100000709445_100000211584 [0,2,0,0,0,0|2,0,0]=4 8986 B18R2.6889 CC[C@@H](CO)NCc1ccc2ccccc2c1 2230a_100000709445_100011216711 [0,2,0,0,0,0|2,0,0]=4 8987 B18R2.6889 CC[C@@H](CO)NCc1ccc2ccccc2c1 270004a_100000709445_100000211584 [0,2,0,0,0,0|2,0,0]=4 8988 B18R2.6889 COC(CNc1ccc2ccccc2c1)OC 34a_100000211940_100000211822 [0,2,0,0,0,0|1,0,0]=3 8989 B18R2.6889 COC(CNc1ccc2ccccc2c1)OC 7a_100000211940_100000751394 [0,2,0,0,0,0|1,0,0]=3 8990 B18R2.6889 COC(CNc1ccc2cccnc2c1)OC 34a_100102887122_100000211822 [0,2,0,0,0,0|2,0,0]=4 8991 B18R2.6889 COC(CNc1ccc2cnccc2c1)OC 34a_100000039641_100000211822 [0,2,0,0,0,0|2,0,0]=4 8992 B18R2.6889 COC(CNc1ccc2ncccc2c1)OC 34a_100011198106_100000211822 [0,2,0,0,0,0|2,0,0]=4 8993 B18R2.6889 COC(COc1ccc2ccccc2c1)OC 34a_100000185828_100000211822 [0,2,0,0,0,0|0,0,0]=2 8994 B18R2.6889 COC(COc1ccc2ccccc2c1)OC 7a_100000185828_100000751394 [0,2,0,0,0,0|0,0,0]=2 8995 B18R2.6889 COC(COc1ccc2cccnc2c1)OC 34a_100011216045_100000211822 [0,2,0,0,0,0|1,0,0]=3 8996 B18R2.6889 COC(COc1ccc2ccncc2c1)OC 7a_100000752006_100000751394 [0,2,0,0,0,0|1,0,0]=3 8997 B18R2.6889 COC(COc1ccc2cnccc2c1)OC 34a_100000046372_100000211822 [0,2,0,0,0,0|1,0,0]=3 8998 B18R2.6889 COC(COc1ccc2cnccc2c1)OC 7a_100000046372_100000751394 [0,2,0,0,0,0|1,0,0]=3 8999 B18R2.6889 COC(COc1ccc2ncccc2c1)OC 34a_100011215586_100000211822 [0,2,0,0,0,0|1,0,0]=3 9000 B18R2.6889 COC(COc1ccc2ncccc2c1)OC 7a_100011215586_100000751394 [0,2,0,0,0,0|1,0,0]=3 9001 B18R2.6889 COC(COc1ccc2nccnc2c1)OC 34a_100000694412_100000211822 [0,2,0,0,0,0|2,0,0]=4 9002 B18R2.6889 COC(COc1cnc2ccccc2c1)OC 34a_100011934006_100000211822 [0,2,0,0,0,0|1,0,0]=3 9003 B18R2.6889 COC(COc1cnc2ccccc2c1)OC 7a_100011934006_100000751394 [0,2,0,0,0,0|1,0,0]=3 9004 B18R2.6889 COC(CSc1cc2ccccc2cn1)OC 62a_100000751394_100000047361 [0,2,0,0,0,0|1,1,0]=4 9005 B18R2.6889 COC(CSc1cc2ccccc2cn1)OC 62a_100009816522_100000751394 [0,2,0,0,0,0|1,1,0]=4 9006 B18R2.6889 COC(CSc1ccc2ccccc2c1)OC 62a_100000751394_100000233703 [0,2,0,0,0,0|0,1,0]=3 9007 B18R2.6889 COC(CSc1ccc2ccccc2n1)OC 62a_100000751394_100011291633 [0,2,0,0,0,0|1,1,0]=4 9008 B18R2.6889 COC(CSc1ccc2ccccc2n1)OC 62a_100011291633_100000751394 [0,2,0,0,0,0|1,1,0]=4 9009 B18R2.6889 COC(CSc1ccc2cccnc2c1)OC 62a_100000751394_100009816655 [0,2,0,0,0,0|1,1,0]=4 9010 B18R2.6889 COC(CSc1ccc2ccncc2c1)OC 62a_100000686496_100000751394 [0,2,0,0,0,0|1,1,0]=4 9011 B18R2.6889 COC(CSc1ccc2ccncc2c1)OC 62a_100000751394_100000686496 [0,2,0,0,0,0|1,1,0]=4 9012 B18R2.6889 COC(CSc1ccc2cnccc2c1)OC 62a_100000751394_100009816743 [0,2,0,0,0,0|1,1,0]=4 9013 B18R2.6889 COC(CSc1ccc2cnccc2c1)OC 62a_100009816743_100000751394 [0,2,0,0,0,0|1,1,0]=4 9014 B18R2.6889 COC(CSc1ccc2ncccc2c1)OC 62a_100000751394_100011215947 [0,2,0,0,0,0|1,1,0]=4 9015 B18R2.6889 COC(CSc1ccc2ncccc2c1)OC 62a_100011215947_100000751394 [0,2,0,0,0,0|1,1,0]=4 9016 B18R2.6889 COC(CSc1cnc2ccccc2c1)OC 62a_100000751394_100000737414 [0,2,0,0,0,0|1,1,0]=4 9017 B18R2.6889 ClCC(CCl)OCc1ccc2ccccc2c1 7a_100000737055_100011216711 [0,2,0,0,0,0|2,0,0]=4 9018 B18R2.6889 FCC(CF)OCc1ccc2ccccc2c1 34a_100000032261_100011216711 [0,2,0,0,0,0|2,0,0]=4 9019 B18R2.6889 FCC(CF)OCc1ccc2ccccc2c1 7a_100000032261_100011216711 [0,2,0,0,0,0|2,0,0]=4 9020 B18R2.6889 FC[C@@H](CCl)OCc1ccc2ccccc2c1 34a_100015614560_100011216711 [0,2,0,0,0,0|2,0,0]=4 9021 B18R2.6889 FC[C@@H](CCl)OCc1ccc2ccccc2c1 7a_100015614560_100011216711 [0,2,0,0,0,0|2,0,0]=4 9022 B18R2.6889 NCC(CN)OCc1ccc2ccccc2c1 34a_100000031598_100011216711 [0,2,0,0,0,0|2,0,0]=4 9023 B18R2.6889 OCC(CO)NCc1ccc2ccccc2c1 207a_100000759517_100000211584 [0,2,0,0,0,0|2,0,0]=4 9024 B18R2.6889 OCC(CO)NCc1ccc2ccccc2c1 2230a_100000759517_100011216711 [0,2,0,0,0,0|2,0,0]=4 9025 B18R2.8028 CC(CO)NC(C)c1ccc2ccccc2c1 2230a_100000737073_100012180447 [0,2,0,0,0,0|2,0,0]=4 9026 B18R2.8028 CC(CO)OC(C)c1ccc2ccccc2c1 34a_100011215343_100012180447 [0,2,0,0,0,0|2,0,0]=4 9027 B18R2.8028 CC(CO)OC(C)c1ccc2ccccc2c1 7a_100011215343_100012180447 [0,2,0,0,0,0|2,0,0]=4 9028 B18R2.8028 CC(N[C@H](C)CF)c1ccc2ccccc2c1 269862a_100102880703_100000210793 [0,2,0,0,0,0|2,0,0]=4 9029 B18R2.8028 CC(N[C@H](C)CO)c1ccc2ccccc2c1 269862a_100000737577_100000210793 [0,2,0,0,0,0|2,0,0]=4 9030 B18R2.8028 CCC(C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000748023 [0,2,0,0,0,0|1,0,0]=3 9031 B18R2.8028 CCC(C)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000748023 [0,2,0,0,0,0|2,0,0]=4 9032 B18R2.8028 CCC(C)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000748023 [0,2,0,0,0,0|2,0,0]=4 9033 B18R2.8028 CCC(C)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000748023 [0,2,0,0,0,0|2,0,0]=4 9034 B18R2.8028 CCC(C)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000748023 [0,2,0,0,0,0|2,0,0]=4 9035 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000748023 [0,2,0,0,0,0|1,0,0]=3 9036 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000748023 [0,2,0,0,0,0|1,0,0]=3 9037 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000748023 [0,2,0,0,0,0|1,0,0]=3 9038 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2n1 27a_100000753921_100011291633 [0,2,0,0,0,0|2,0,0]=4 9039 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 11a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9040 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 1626a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9041 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 240690a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9042 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 527a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9043 B18R2.8028 CCC(C)NC(C)c1ccc2ccccc2c1 2230a_100000737073_100000758301 [0,2,0,0,0,0|2,0,0]=4 9044 B18R2.8028 CCC(C)NC(C)c1ccc2ccccc2c1 269862a_100000209981_100000210793 [0,2,0,0,0,0|2,0,0]=4 9045 B18R2.8028 CCC(C)OC(C)c1ccc2ccccc2c1 34a_100011215343_100011215416 [0,2,0,0,0,0|2,0,0]=4 9046 B18R2.8028 CCC(C)OC(C)c1ccc2ccccc2c1 7a_100011215343_100000758301 [0,2,0,0,0,0|2,0,0]=4 9047 B18R2.8028 CCC(O)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011218378 [0,2,0,0,0,0|2,0,0]=4 9048 B18R2.8028 CCC(O)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218378 [0,2,0,0,0,0|2,0,0]=4 9049 B18R2.8028 CCC(O)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218378 [0,2,0,0,0,0|2,0,0]=4 9050 B18R2.8028 CCC(O)CN(C)c1ccc2ccccc2c1 34a_100000181211_100011218378 [0,2,0,0,0,0|2,0,0]=4 9051 B18R2.8028 CCN(C)CC(=O)c1ccc2ccccc2c1 2230a_100000225621_100000211431 [0,2,0,0,0,0|2,0,0]=4 9052 B18R2.8028 CCN(C)CC(=O)c1ccc2ccccc2c1 269982a_100000225621_100000211431 [0,2,0,0,0,0|2,0,0]=4 9053 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100009816398 [0,2,0,0,0,0|1,0,0]=3 9054 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100009816398 [0,2,0,0,0,0|2,0,0]=4 9055 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100009816398 [0,2,0,0,0,0|2,0,0]=4 9056 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100009816398 [0,2,0,0,0,0|2,0,0]=4 9057 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100009816398 [0,2,0,0,0,0|2,0,0]=4 9058 B18R2.8028 CC[C@H](C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100009816398 [0,2,0,0,0,0|1,0,0]=3 9059 B18R2.8028 CC[C@H](C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100009816398 [0,2,0,0,0,0|1,0,0]=3 9060 B18R2.8028 CC[C@H](C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100009816398 [0,2,0,0,0,0|1,0,0]=3 9061 B18R2.8028 CN(CC(O)CO)c1ccc2ccccc2c1 2230a_100000181211_100011219619 [0,2,0,0,0,0|2,0,0]=4 9062 B18R2.8028 CN(CC(O)CO)c1ccc2ccccc2c1 34a_100000181211_100011219619 [0,2,0,0,0,0|2,0,0]=4 9063 B18R2.8028 CN(C[C@@H](O)CF)c1ccc2ccccc2c1 2230a_100000181211_100015614560 [0,2,0,0,0,0|2,0,0]=4 9064 B18R2.8028 CN(C[C@@H](O)CF)c1ccc2ccccc2c1 34a_100000181211_100015614560 [0,2,0,0,0,0|2,0,0]=4 9065 B18R2.8028 CN(C[C@@H](O)CO)c1ccc2ccccc2c1 2230a_100000181211_100009815848 [0,2,0,0,0,0|2,0,0]=4 9066 B18R2.8028 CN(C[C@@H](O)CO)c1ccc2ccccc2c1 34a_100000181211_100009815848 [0,2,0,0,0,0|2,0,0]=4 9067 B18R2.8028 C[C@@H](CO)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000059175 [0,2,0,0,0,0|1,0,0]=3 9068 B18R2.8028 C[C@@H](CO)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000059175 [0,2,0,0,0,0|2,0,0]=4 9069 B18R2.8028 C[C@@H](CO)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000059175 [0,2,0,0,0,0|2,0,0]=4 9070 B18R2.8028 C[C@@H](CO)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000059175 [0,2,0,0,0,0|2,0,0]=4 9071 B18R2.8028 C[C@@H](CO)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000059175 [0,2,0,0,0,0|2,0,0]=4 9072 B18R2.8028 C[C@@H](CO)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000059175 [0,2,0,0,0,0|1,0,0]=3 9073 B18R2.8028 C[C@@H](CO)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000059175 [0,2,0,0,0,0|1,0,0]=3 9074 B18R2.8028 C[C@@H](CO)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000059175 [0,2,0,0,0,0|1,0,0]=3 9075 B18R2.8028 C[C@H](CF)NC(=O)c1ccc2ccccc2c1 11a_100102880703_100000210637 [0,2,0,0,0,0|2,0,0]=4 9076 B18R2.8028 C[C@H](CF)NC(=O)c1ccc2ccccc2c1 1626a_100102880703_100000210637 [0,2,0,0,0,0|2,0,0]=4 9077 B18R2.8028 C[C@H](CF)NC(=O)c1ccc2ccccc2c1 240690a_100102880703_100000210637 [0,2,0,0,0,0|2,0,0]=4 9078 B18R2.8028 C[C@H](CF)NC(=O)c1ccc2ccccc2c1 527a_100102880703_100000210637 [0,2,0,0,0,0|2,0,0]=4 9079 B18R2.8028 C[C@H](CO)NC(=O)c1ccc2ccccc2c1 240690a_100000737577_100000210637 [0,2,0,0,0,0|2,0,0]=4 9080 B18R2.8028 C[C@H](CO)NC(=O)c1ccc2ccccc2c1 527a_100000737577_100000210637 [0,2,0,0,0,0|2,0,0]=4 9081 B18R2.8085 C#CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000184674 [0,2,0,0,0,0|1,0,1]=4 9082 B18R2.8085 C#CCC(C)OCc1ccc2ccccc2c1 34a_100000685586_100011216711 [0,2,0,0,0,0|2,0,0]=4 9083 B18R2.8085 C#CCC(C)OCc1ccc2ccccc2c1 7a_100000685586_100011216711 [0,2,0,0,0,0|2,0,0]=4 9084 B18R2.8085 C/C=C/C(C)OCc1ccc2ccccc2c1 34a_200102604097_100011216711 [0,2,0,0,0,0|2,0,0]=4 9085 B18R2.8085 C=CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210623 [0,2,0,0,0,0|1,0,1]=4 9086 B18R2.8085 C=CC[C@@H](C)OCc1ccc2ccccc2c1 34a_100000731007_100011216711 [0,2,0,0,0,0|2,0,0]=4 9087 B18R2.8085 C=CC[C@@H](C)OCc1ccc2ccccc2c1 7a_100000731007_100011216711 [0,2,0,0,0,0|2,0,0]=4 9088 B18R2.8085 CC#CC(C)OCc1ccc2ccccc2c1 34a_100011216543_100011216711 [0,2,0,0,0,0|2,0,0]=4 9089 B18R2.8085 CC(CC#N)NCc1ccc2ccccc2c1 2230a_100000739491_100009813641 [0,2,0,0,0,0|2,0,0]=4 9090 B18R2.8085 CC(CC#N)OCc1ccc2ccccc2c1 7a_100011215330_100009813641 [0,2,0,0,0,0|2,0,0]=4 9091 B18R2.8085 CC(CC#N)SCc1ccc2ccccc2c1 62a_100009813641_100011216711 [0,2,0,0,0,0|2,0,0]=4 9092 B18R2.8085 CC(CC#N)SCc1ccc2ccccc2c1 62a_100011216711_100009813641 [0,2,0,0,0,0|2,0,0]=4 9093 B18R2.8085 CC(CCBr)OCc1ccc2ccccc2c1 34a_100012276601_100011216711 [0,2,0,0,0,0|2,0,0]=4 9094 B18R2.8085 CC(CCO)NCc1ccc2ccccc2c1 2230a_100000739491_100009893172 [0,2,0,0,0,0|2,0,0]=4 9095 B18R2.8085 CC(CCO)NCc1ccc2ccccc2c1 34a_100000739491_100009893172 [0,2,0,0,0,0|2,0,0]=4 9096 B18R2.8085 CC(CCO)OCc1ccc2ccccc2c1 34a_100011215330_100009893172 [0,2,0,0,0,0|2,0,0]=4 9097 B18R2.8085 CC(CCO)OCc1ccc2ccccc2c1 7a_100011215330_100009893172 [0,2,0,0,0,0|2,0,0]=4 9098 B18R2.8085 CC(CCO)SCc1ccc2ccccc2c1 62a_100009893172_100011216711 [0,2,0,0,0,0|2,0,0]=4 9099 B18R2.8085 CC(CCO)SCc1ccc2ccccc2c1 62a_100011216711_100009893172 [0,2,0,0,0,0|2,0,0]=4 9100 B18R2.8085 CCCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210303 [0,2,0,0,0,0|1,0,1]=4 9101 B18R2.8085 CCCC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747444 [0,2,0,0,0,0|1,0,1]=4 9102 B18R2.8085 CCCC(C)CNc1ccc2ccccc2c1 34a_100000211940_100011216630 [0,2,0,0,0,0|1,0,0]=3 9103 B18R2.8085 CCCC(C)CNc1ccc2ccccc2c1 7a_100000211940_100011216630 [0,2,0,0,0,0|1,0,0]=3 9104 B18R2.8085 CCCC(C)CNc1ccc2cccnc2c1 34a_100102887122_100011216630 [0,2,0,0,0,0|2,0,0]=4 9105 B18R2.8085 CCCC(C)CNc1ccc2cnccc2c1 34a_100000039641_100011216630 [0,2,0,0,0,0|2,0,0]=4 9106 B18R2.8085 CCCC(C)CNc1ccc2ncccc2c1 34a_100011198106_100011216630 [0,2,0,0,0,0|2,0,0]=4 9107 B18R2.8085 CCCC(C)COc1ccc2ccccc2c1 34a_100000185828_100011216630 [0,2,0,0,0,0|0,0,0]=2 9108 B18R2.8085 CCCC(C)COc1ccc2ccccc2c1 7a_100000185828_100011216630 [0,2,0,0,0,0|0,0,0]=2 9109 B18R2.8085 CCCC(C)COc1ccc2cccnc2c1 34a_100011216045_100011216630 [0,2,0,0,0,0|1,0,0]=3 9110 B18R2.8085 CCCC(C)COc1ccc2ccncc2c1 7a_100000752006_100011216630 [0,2,0,0,0,0|1,0,0]=3 9111 B18R2.8085 CCCC(C)COc1ccc2cnccc2c1 34a_100000046372_100011216630 [0,2,0,0,0,0|1,0,0]=3 9112 B18R2.8085 CCCC(C)COc1ccc2cnccc2c1 7a_100000046372_100011216630 [0,2,0,0,0,0|1,0,0]=3 9113 B18R2.8085 CCCC(C)COc1ccc2ncccc2c1 34a_100011215586_100011216630 [0,2,0,0,0,0|1,0,0]=3 9114 B18R2.8085 CCCC(C)COc1ccc2ncccc2c1 7a_100011215586_100011216630 [0,2,0,0,0,0|1,0,0]=3 9115 B18R2.8085 CCCC(C)COc1ccc2nccnc2c1 34a_100000694412_100011216630 [0,2,0,0,0,0|2,0,0]=4 9116 B18R2.8085 CCCC(C)COc1cnc2ccccc2c1 34a_100011934006_100011216630 [0,2,0,0,0,0|1,0,0]=3 9117 B18R2.8085 CCCC(C)COc1cnc2ccccc2c1 7a_100011934006_100011216630 [0,2,0,0,0,0|1,0,0]=3 9118 B18R2.8085 CCCC(C)CSc1cc2ccccc2cn1 62a_100009816522_100011216630 [0,2,0,0,0,0|1,1,0]=4 9119 B18R2.8085 CCCC(C)CSc1cc2ccccc2cn1 62a_100011216630_100000047361 [0,2,0,0,0,0|1,1,0]=4 9120 B18R2.8085 CCCC(C)CSc1ccc2ccccc2n1 62a_100011216630_100011291633 [0,2,0,0,0,0|1,1,0]=4 9121 B18R2.8085 CCCC(C)CSc1ccc2ccccc2n1 62a_100011291633_100011216630 [0,2,0,0,0,0|1,1,0]=4 9122 B18R2.8085 CCCC(C)CSc1ccc2cccnc2c1 62a_100011216630_100009816655 [0,2,0,0,0,0|1,1,0]=4 9123 B18R2.8085 CCCC(C)CSc1ccc2ccncc2c1 62a_100000686496_100011216630 [0,2,0,0,0,0|1,1,0]=4 9124 B18R2.8085 CCCC(C)CSc1ccc2ccncc2c1 62a_100011216630_100000686496 [0,2,0,0,0,0|1,1,0]=4 9125 B18R2.8085 CCCC(C)CSc1ccc2cnccc2c1 62a_100009816743_100011216630 [0,2,0,0,0,0|1,1,0]=4 9126 B18R2.8085 CCCC(C)CSc1ccc2cnccc2c1 62a_100011216630_100009816743 [0,2,0,0,0,0|1,1,0]=4 9127 B18R2.8085 CCCC(C)CSc1ccc2ncccc2c1 62a_100011215947_100011216630 [0,2,0,0,0,0|1,1,0]=4 9128 B18R2.8085 CCCC(C)CSc1ccc2ncccc2c1 62a_100011216630_100011215947 [0,2,0,0,0,0|1,1,0]=4 9129 B18R2.8085 CCCC(C)CSc1cnc2ccccc2c1 62a_100011216630_100000737414 [0,2,0,0,0,0|1,1,0]=4 9130 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 207a_100000741246_100000211584 [0,2,0,0,0,0|2,0,0]=4 9131 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000766640 [0,2,0,0,0,0|2,0,0]=4 9132 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 2230a_100000741246_100011216711 [0,2,0,0,0,0|2,0,0]=4 9133 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 270004a_100000739491_100000211909 [0,2,0,0,0,0|2,0,0]=4 9134 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 270004a_100000741246_100000211584 [0,2,0,0,0,0|2,0,0]=4 9135 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000766640 [0,2,0,0,0,0|2,0,0]=4 9136 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 34a_100000764384_100011216711 [0,2,0,0,0,0|2,0,0]=4 9137 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000766640 [0,2,0,0,0,0|2,0,0]=4 9138 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 7a_100000764384_100011216711 [0,2,0,0,0,0|2,0,0]=4 9139 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000766640 [0,2,0,0,0,0|2,0,0]=4 9140 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 11a_100015525214_100000185456 [0,2,0,0,0,0|1,0,1]=4 9141 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 240690a_100015525214_100000185456 [0,2,0,0,0,0|1,0,1]=4 9142 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000183381 [0,2,0,0,0,0|1,0,1]=4 9143 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 527a_100015525214_100000185456 [0,2,0,0,0,0|1,0,1]=4 9144 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000183381 [0,2,0,0,0,0|1,0,1]=4 9145 B18R2.8085 CCOC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000188475 [0,2,0,0,0,0|1,0,1]=4 9146 B18R2.8085 CCOC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000188475 [0,2,0,0,0,0|1,0,1]=4 9147 B18R2.8085 CNNC(=O)COc1ccc2ccccc2c1 22a_100016993582_100000185456 [0,2,0,0,0,0|1,0,1]=4 9148 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000765312 [0,2,0,0,0,0|2,0,0]=4 9149 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 270004a_100000739491_100000749346 [0,2,0,0,0,0|2,0,0]=4 9150 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000765312 [0,2,0,0,0,0|2,0,0]=4 9151 B18R2.8085 COCC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000765312 [0,2,0,0,0,0|2,0,0]=4 9152 B18R2.8085 COCC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000765312 [0,2,0,0,0,0|2,0,0]=4 9153 B18R2.8085 COCC(C)SCc1ccc2ccccc2c1 62a_100000765312_100011216711 [0,2,0,0,0,0|2,0,0]=4 9154 B18R2.8085 COCC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000765312 [0,2,0,0,0,0|2,0,0]=4 9155 B18R2.8085 COCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011215053 [0,2,0,0,0,0|2,0,0]=4 9156 B18R2.8085 COCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011215053 [0,2,0,0,0,0|2,0,0]=4 9157 B18R2.8085 COCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011215053 [0,2,0,0,0,0|1,0,0]=3 9158 B18R2.8085 COCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011215053 [0,2,0,0,0,0|1,0,0]=3 9159 B18R2.8085 COCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011215053 [0,2,0,0,0,0|2,0,0]=4 9160 B18R2.8085 COCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011215053 [0,2,0,0,0,0|2,0,0]=4 9161 B18R2.8085 COCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011215053 [0,2,0,0,0,0|2,0,0]=4 9162 B18R2.8085 COCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011215053 [0,2,0,0,0,0|2,0,0]=4 9163 B18R2.8085 COCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011215053 [0,2,0,0,0,0|2,0,0]=4 9164 B18R2.8085 COCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011215053 [0,2,0,0,0,0|2,0,0]=4 9165 B18R2.8085 COCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011215053 [0,2,0,0,0,0|2,0,0]=4 9166 B18R2.8085 COCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011215053 [0,2,0,0,0,0|2,0,0]=4 9167 B18R2.8085 COCC(O)CSc1ccc2ccccc2c1 62a_100011215053_100000233703 [0,2,0,0,0,0|1,1,0]=4 9168 B18R2.8085 COC[C@@H](C)NCc1ccc2ccccc2c1 207a_100000764878_100000211584 [0,2,0,0,0,0|2,0,0]=4 9169 B18R2.8085 COC[C@@H](C)NCc1ccc2ccccc2c1 2230a_100000764878_100011216711 [0,2,0,0,0,0|2,0,0]=4 9170 B18R2.8085 COC[C@@H](C)NCc1ccc2ccccc2c1 270004a_100000764878_100000211584 [0,2,0,0,0,0|2,0,0]=4 9171 B18R2.8085 COC[C@@H](C)OCc1ccc2ccccc2c1 34a_100011934205_100011216711 [0,2,0,0,0,0|2,0,0]=4 9172 B18R2.8085 CSCC(C)NCc1ccc2ccccc2c1 270004a_100000739491_100011216314 [0,2,0,0,0,0|2,0,0]=4 9173 B18R2.8085 C[C@@H](CC#N)NCc1ccc2ccccc2c1 207a_100016994482_100000211584 [0,2,0,0,0,0|2,0,0]=4 9174 B18R2.8085 C[C@@H](CC#N)NCc1ccc2ccccc2c1 2230a_100016994482_100011216711 [0,2,0,0,0,0|2,0,0]=4 9175 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 207a_100000706166_100000211584 [0,2,0,0,0,0|2,0,0]=4 9176 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 2230a_100000706166_100011216711 [0,2,0,0,0,0|2,0,0]=4 9177 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 270004a_100000706166_100000211584 [0,2,0,0,0,0|2,0,0]=4 9178 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 34a_100000706166_100011216711 [0,2,0,0,0,0|2,0,0]=4 9179 B18R2.8085 N#CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100011214920 [0,2,0,0,0,0|1,0,1]=4 9180 B18R2.8085 N#CC[C@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100000001066 [0,2,0,0,0,0|2,0,0]=4 9181 B18R2.8085 N#CC[C@H](O)COc1ccc2ccccc2c1 7a_100000185828_100000001066 [0,2,0,0,0,0|1,0,0]=3 9182 B18R2.8085 N#CC[C@H](O)COc1ccc2ccncc2c1 7a_100000752006_100000001066 [0,2,0,0,0,0|2,0,0]=4 9183 B18R2.8085 N#CC[C@H](O)COc1ccc2cnccc2c1 7a_100000046372_100000001066 [0,2,0,0,0,0|2,0,0]=4 9184 B18R2.8085 N#CC[C@H](O)COc1ccc2ncccc2c1 7a_100011215586_100000001066 [0,2,0,0,0,0|2,0,0]=4 9185 B18R2.8085 N#CC[C@H](O)COc1cnc2ccccc2c1 7a_100011934006_100000001066 [0,2,0,0,0,0|2,0,0]=4 9186 B18R2.8085 N#CC[C@H](O)CSc1ccc2ccccc2c1 62a_100000001066_100000233703 [0,2,0,0,0,0|1,1,0]=4 9187 B18R2.8085 O=C(CCF)COc1ccc2ccccc2c1 1458a_100000185456_100011217306 [0,2,0,0,0,0|1,0,1]=4 9188 B18R2.8085 O=C(CCO)COc1ccc2ccccc2c1 1458a_100000185456_100000211926 [0,2,0,0,0,0|1,0,1]=4 9189 B18R2.8085 O=C(COc1ccc2ccccc2c1)NCO 34a_100000185828_100000185155 [0,2,0,0,0,0|1,0,1]=4 9190 B18R2.8085 O=C(COc1ccc2ccccc2c1)NCO 7a_100000185828_100000185155 [0,2,0,0,0,0|1,0,1]=4 9191 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100000730141 [0,2,0,0,0,0|1,0,1]=4 9192 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100000730141 [0,2,0,0,0,0|1,0,1]=4 9193 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1C 34a_100009830054_100000730141 [0,2,0,0,0,0|1,0,1]=4 9194 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1C 7a_100009830054_100000730141 [0,2,0,0,0,0|1,0,1]=4 9195 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000730141 [0,2,0,0,0,0|1,0,1]=4 9196 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000730141 [0,2,0,0,0,0|1,0,1]=4 9197 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1I 34a_100000041551_100000730141 [0,2,0,0,0,0|1,0,1]=4 9198 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1I 7a_100000041551_100000730141 [0,2,0,0,0,0|1,0,1]=4 9199 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1N 34a_100000007056_100000730141 [0,2,0,0,0,0|1,0,1]=4 9200 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1N 7a_100000007056_100000730141 [0,2,0,0,0,0|1,0,1]=4 9201 B18R2.9347 CC(CF)OCc1ccc2ccccc2c1Br 34a_100016041109_100009813938 [0,2,0,0,0,0|2,0,0]=4 9202 B18R2.9347 CC(CF)OCc1ccc2ccccc2c1Br 7a_100016041109_100009813938 [0,2,0,0,0,0|2,0,0]=4 9203 B18R2.9347 CC(CN)OCc1ccc2ccccc2c1Br 34a_100000210904_100009813938 [0,2,0,0,0,0|2,0,0]=4 9204 B18R2.9347 CC(CO)SCc1ccc2ccccc2c1Br 62a_100012180447_100009813938 [0,2,0,0,0,0|2,0,0]=4 9205 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000747405 [0,2,0,0,0,0|1,0,1]=4 9206 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1C 7a_100009830054_100000747405 [0,2,0,0,0,0|1,0,1]=4 9207 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000747405 [0,2,0,0,0,0|1,0,1]=4 9208 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000747405 [0,2,0,0,0,0|1,0,1]=4 9209 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000747405 [0,2,0,0,0,0|1,0,1]=4 9210 B18R2.9347 CCC(C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000748023 [0,2,0,0,0,0|1,0,0]=3 9211 B18R2.9347 CCC(C)CNc1ccc2ccccc2c1O 34a_100000007060_100000748023 [0,2,0,0,0,0|1,0,0]=3 9212 B18R2.9347 CCC(C)CNc1ccc2cnccc2c1Cl 34a_100009851981_100000748023 [0,2,0,0,0,0|2,0,0]=4 9213 B18R2.9347 CCC(C)CNc1ccc2ncccc2c1Br 34a_200009995563_100000748023 [0,2,0,0,0,0|2,0,0]=4 9214 B18R2.9347 CCC(C)COc1ccc2ccccc2c1C 34a_100009830054_100000748023 [0,2,0,0,0,0|0,0,0]=2 9215 B18R2.9347 CCC(C)COc1ccc2ccccc2c1C 7a_100009830054_100000748023 [0,2,0,0,0,0|0,0,0]=2 9216 B18R2.9347 CCC(C)COc1ccc2ccccc2c1Cl 34a_100000029778_100000748023 [0,2,0,0,0,0|0,0,0]=2 9217 B18R2.9347 CCC(C)COc1ccc2ccccc2c1Cl 7a_100000029778_100000748023 [0,2,0,0,0,0|0,0,0]=2 9218 B18R2.9347 CCC(C)COc1ccc2ccccc2c1I 34a_100000041551_100000748023 [0,2,0,0,0,0|0,0,0]=2 9219 B18R2.9347 CCC(C)COc1ccc2ccccc2c1I 7a_100000041551_100000748023 [0,2,0,0,0,0|0,0,0]=2 9220 B18R2.9347 CCC(C)COc1ccc2ccccc2c1N 34a_100000007056_100000748023 [0,2,0,0,0,0|0,0,0]=2 9221 B18R2.9347 CCC(C)COc1ccc2ccccc2c1N 7a_100000007056_100000748023 [0,2,0,0,0,0|0,0,0]=2 9222 B18R2.9347 CCC(C)COc1ccc2cccnc2c1Br 34a_100010173343_100000748023 [0,2,0,0,0,0|1,0,0]=3 9223 B18R2.9347 CCC(C)COc1ccc2cccnc2c1Br 7a_100010173343_100000748023 [0,2,0,0,0,0|1,0,0]=3 9224 B18R2.9347 CCC(C)COc1ccc2ccncc2c1Br 34a_200010115057_100000748023 [0,2,0,0,0,0|1,0,0]=3 9225 B18R2.9347 CCC(C)COc1ccc2ccncc2c1Br 7a_200010115057_100000748023 [0,2,0,0,0,0|1,0,0]=3 9226 B18R2.9347 CCC(C)COc1ccc2cnccc2c1Cl 34a_100009824633_100000748023 [0,2,0,0,0,0|1,0,0]=3 9227 B18R2.9347 CCC(C)COc1ccc2cnccc2c1Cl 7a_100009824633_100000748023 [0,2,0,0,0,0|1,0,0]=3 9228 B18R2.9347 CCC(C)CSc1c[nH]c2ccccc2c1=O 62a_100000748023_100012348052 [0,2,0,0,0,0|1,1,0]=4 9229 B18R2.9347 CCC(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000748023 [0,2,0,0,0,0|0,1,0]=3 9230 B18R2.9347 CCC(C)CSc1ccc2ccccc2c1O 62a_100000748023_100009996032 [0,2,0,0,0,0|0,1,0]=3 9231 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1C 62a_100000748023_100010214467 [0,2,0,0,0,0|1,1,0]=4 9232 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1F 62a_100000748023_100010751467 [0,2,0,0,0,0|1,1,0]=4 9233 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1F 62a_100010751467_100000748023 [0,2,0,0,0,0|1,1,0]=4 9234 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1O 62a_100000748023_100009816563 [0,2,0,0,0,0|1,1,0]=4 9235 B18R2.9347 CCC(C)CSc1ccc2cnccc2c1N 62a_100000748023_100010191621 [0,2,0,0,0,0|1,1,0]=4 9236 B18R2.9347 CCC(C)CSc1ccc2cnccc2c1N 62a_100010191621_100000748023 [0,2,0,0,0,0|1,1,0]=4 9237 B18R2.9347 CCC(C)CSc1ccc2ncccc2c1C 62a_100000748023_200010137439 [0,2,0,0,0,0|1,1,0]=4 9238 B18R2.9347 CCC(C)CSc1ccc2ncccc2c1C 62a_200010137439_100000748023 [0,2,0,0,0,0|1,1,0]=4 9239 B18R2.9347 CCC(C)CSc1ccc2ncccc2c1N 62a_200010235790_100000748023 [0,2,0,0,0,0|1,1,0]=4 9240 B18R2.9347 CCC(C)CSc1cnc2ccccc2c1N 62a_100000748023_100009995562 [0,2,0,0,0,0|1,1,0]=4 9241 B18R2.9347 CCC(C)CSc1cnc2ccccc2c1N 62a_100009995562_100000748023 [0,2,0,0,0,0|1,1,0]=4 9242 B18R2.9347 CCC(C)CSc1coc2ccccc2c1=O 62a_100000748023_100009813851 [0,2,0,0,0,0|1,1,0]=4 9243 B18R2.9347 CCC(C)CSc1ncc2ccccc2c1N 62a_100000748023_100000087573 [0,2,0,0,0,0|1,1,0]=4 9244 B18R2.9347 CCC(C)CSc1ncc2ccccc2c1N 62a_100009995564_100000748023 [0,2,0,0,0,0|1,1,0]=4 9245 B18R2.9347 CCC(C)NCc1ccc2ccccc2c1Br 207a_100000209981_100009813496 [0,2,0,0,0,0|2,0,0]=4 9246 B18R2.9347 CCC(C)NCc1ccc2ccccc2c1Br 2230a_100000209981_100009813938 [0,2,0,0,0,0|2,0,0]=4 9247 B18R2.9347 CCC(C)NCc1ccc2ccccc2c1Br 270004a_100000209981_100009813496 [0,2,0,0,0,0|2,0,0]=4 9248 B18R2.9347 CCC(C)OCc1ccc2ccccc2c1Br 7a_100000210228_100009813938 [0,2,0,0,0,0|2,0,0]=4 9249 B18R2.9347 CCC(O)CNc1ccc2ccccc2c1Br 34a_100000705303_100011218378 [0,2,0,0,0,0|2,0,0]=4 9250 B18R2.9347 CCC(O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011218378 [0,2,0,0,0,0|2,0,0]=4 9251 B18R2.9347 CCC(O)CNc1ccc2ccccc2c1O 34a_100000007060_100011218378 [0,2,0,0,0,0|2,0,0]=4 9252 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100011218378 [0,2,0,0,0,0|1,0,0]=3 9253 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100011218378 [0,2,0,0,0,0|1,0,0]=3 9254 B18R2.9347 CCC(O)COc1ccc2ccccc2c1C 34a_100009830054_100011218378 [0,2,0,0,0,0|1,0,0]=3 9255 B18R2.9347 CCC(O)COc1ccc2ccccc2c1C 7a_100009830054_100011218378 [0,2,0,0,0,0|1,0,0]=3 9256 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100011218378 [0,2,0,0,0,0|1,0,0]=3 9257 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100011218378 [0,2,0,0,0,0|1,0,0]=3 9258 B18R2.9347 CCC(O)COc1ccc2ccccc2c1I 34a_100000041551_100011218378 [0,2,0,0,0,0|1,0,0]=3 9259 B18R2.9347 CCC(O)COc1ccc2ccccc2c1I 7a_100000041551_100011218378 [0,2,0,0,0,0|1,0,0]=3 9260 B18R2.9347 CCC(O)COc1ccc2ccccc2c1N 34a_100000007056_100011218378 [0,2,0,0,0,0|1,0,0]=3 9261 B18R2.9347 CCC(O)COc1ccc2ccccc2c1N 7a_100000007056_100011218378 [0,2,0,0,0,0|1,0,0]=3 9262 B18R2.9347 CCC(O)COc1ccc2cccnc2c1Br 34a_100010173343_100011218378 [0,2,0,0,0,0|2,0,0]=4 9263 B18R2.9347 CCC(O)COc1ccc2cccnc2c1Br 7a_100010173343_100011218378 [0,2,0,0,0,0|2,0,0]=4 9264 B18R2.9347 CCC(O)COc1ccc2ccncc2c1Br 34a_200010115057_100011218378 [0,2,0,0,0,0|2,0,0]=4 9265 B18R2.9347 CCC(O)COc1ccc2ccncc2c1Br 7a_200010115057_100011218378 [0,2,0,0,0,0|2,0,0]=4 9266 B18R2.9347 CCC(O)COc1ccc2cnccc2c1Cl 34a_100009824633_100011218378 [0,2,0,0,0,0|2,0,0]=4 9267 B18R2.9347 CCC(O)COc1ccc2cnccc2c1Cl 7a_100009824633_100011218378 [0,2,0,0,0,0|2,0,0]=4 9268 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1Br 62a_100011218378_200010089984 [0,2,0,0,0,0|1,1,0]=4 9269 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1Br 62a_200010089984_100011218378 [0,2,0,0,0,0|1,1,0]=4 9270 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1C 62a_100010221197_100011218378 [0,2,0,0,0,0|1,1,0]=4 9271 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1C 62a_100011218378_100010221197 [0,2,0,0,0,0|1,1,0]=4 9272 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1F 62a_100009832041_100011218378 [0,2,0,0,0,0|1,1,0]=4 9273 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1F 62a_100011218378_100009832041 [0,2,0,0,0,0|1,1,0]=4 9274 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1N 62a_100009817101_100011218378 [0,2,0,0,0,0|1,1,0]=4 9275 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1O 62a_100011218378_100009996032 [0,2,0,0,0,0|1,1,0]=4 9276 B18R2.9347 CC[C@H](C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100009816398 [0,2,0,0,0,0|1,0,0]=3 9277 B18R2.9347 CC[C@H](C)CNc1ccc2ccccc2c1O 34a_100000007060_100009816398 [0,2,0,0,0,0|1,0,0]=3 9278 B18R2.9347 CC[C@H](C)CNc1ccc2cnccc2c1Cl 34a_100009851981_100009816398 [0,2,0,0,0,0|2,0,0]=4 9279 B18R2.9347 CC[C@H](C)CNc1ccc2ncccc2c1Br 34a_200009995563_100009816398 [0,2,0,0,0,0|2,0,0]=4 9280 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1C 34a_100009830054_100009816398 [0,2,0,0,0,0|0,0,0]=2 9281 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1C 7a_100009830054_100009816398 [0,2,0,0,0,0|0,0,0]=2 9282 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1Cl 34a_100000029778_100009816398 [0,2,0,0,0,0|0,0,0]=2 9283 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1Cl 7a_100000029778_100009816398 [0,2,0,0,0,0|0,0,0]=2 9284 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1I 34a_100000041551_100009816398 [0,2,0,0,0,0|0,0,0]=2 9285 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1I 7a_100000041551_100009816398 [0,2,0,0,0,0|0,0,0]=2 9286 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1N 34a_100000007056_100009816398 [0,2,0,0,0,0|0,0,0]=2 9287 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1N 7a_100000007056_100009816398 [0,2,0,0,0,0|0,0,0]=2 9288 B18R2.9347 CC[C@H](C)COc1ccc2cccnc2c1Br 34a_100010173343_100009816398 [0,2,0,0,0,0|1,0,0]=3 9289 B18R2.9347 CC[C@H](C)COc1ccc2cccnc2c1Br 7a_100010173343_100009816398 [0,2,0,0,0,0|1,0,0]=3 9290 B18R2.9347 CC[C@H](C)COc1ccc2ccncc2c1Br 34a_200010115057_100009816398 [0,2,0,0,0,0|1,0,0]=3 9291 B18R2.9347 CC[C@H](C)COc1ccc2ccncc2c1Br 7a_200010115057_100009816398 [0,2,0,0,0,0|1,0,0]=3 9292 B18R2.9347 CC[C@H](C)COc1ccc2cnccc2c1Cl 34a_100009824633_100009816398 [0,2,0,0,0,0|1,0,0]=3 9293 B18R2.9347 CC[C@H](C)COc1ccc2cnccc2c1Cl 7a_100009824633_100009816398 [0,2,0,0,0,0|1,0,0]=3 9294 B18R2.9347 CC[C@H](C)CSc1c[nH]c2ccccc2c1=O 62a_100009816398_100012348052 [0,2,0,0,0,0|1,1,0]=4 9295 B18R2.9347 CC[C@H](C)CSc1ccc2ccccc2c1N 62a_100009817101_100009816398 [0,2,0,0,0,0|0,1,0]=3 9296 B18R2.9347 CC[C@H](C)CSc1ccc2ccccc2c1O 62a_100009816398_100009996032 [0,2,0,0,0,0|0,1,0]=3 9297 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1C 62a_100009816398_100010214467 [0,2,0,0,0,0|1,1,0]=4 9298 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1F 62a_100009816398_100010751467 [0,2,0,0,0,0|1,1,0]=4 9299 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1F 62a_100010751467_100009816398 [0,2,0,0,0,0|1,1,0]=4 9300 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1O 62a_100009816398_100009816563 [0,2,0,0,0,0|1,1,0]=4 9301 B18R2.9347 CC[C@H](C)CSc1ccc2cnccc2c1N 62a_100009816398_100010191621 [0,2,0,0,0,0|1,1,0]=4 9302 B18R2.9347 CC[C@H](C)CSc1ccc2cnccc2c1N 62a_100010191621_100009816398 [0,2,0,0,0,0|1,1,0]=4 9303 B18R2.9347 CC[C@H](C)CSc1ccc2ncccc2c1C 62a_100009816398_200010137439 [0,2,0,0,0,0|1,1,0]=4 9304 B18R2.9347 CC[C@H](C)CSc1ccc2ncccc2c1C 62a_200010137439_100009816398 [0,2,0,0,0,0|1,1,0]=4 9305 B18R2.9347 CC[C@H](C)CSc1ccc2ncccc2c1N 62a_200010235790_100009816398 [0,2,0,0,0,0|1,1,0]=4 9306 B18R2.9347 CC[C@H](C)CSc1cnc2ccccc2c1N 62a_100009816398_100009995562 [0,2,0,0,0,0|1,1,0]=4 9307 B18R2.9347 CC[C@H](C)CSc1cnc2ccccc2c1N 62a_100009995562_100009816398 [0,2,0,0,0,0|1,1,0]=4 9308 B18R2.9347 CC[C@H](C)CSc1coc2ccccc2c1=O 62a_100009816398_100009813851 [0,2,0,0,0,0|1,1,0]=4 9309 B18R2.9347 CC[C@H](C)CSc1ncc2ccccc2c1N 62a_100009816398_100000087573 [0,2,0,0,0,0|1,1,0]=4 9310 B18R2.9347 CC[C@H](C)CSc1ncc2ccccc2c1N 62a_100009995564_100009816398 [0,2,0,0,0,0|1,1,0]=4 9311 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Br 34a_100000183829_100000183359 [0,2,0,0,0,0|1,0,1]=4 9312 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000183359 [0,2,0,0,0,0|1,0,1]=4 9313 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1C 34a_100009830054_100000183359 [0,2,0,0,0,0|1,0,1]=4 9314 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1C 7a_100009830054_100000183359 [0,2,0,0,0,0|1,0,1]=4 9315 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000183359 [0,2,0,0,0,0|1,0,1]=4 9316 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000183359 [0,2,0,0,0,0|1,0,1]=4 9317 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1I 34a_100000041551_100000183359 [0,2,0,0,0,0|1,0,1]=4 9318 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000183359 [0,2,0,0,0,0|1,0,1]=4 9319 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1N 34a_100000007056_100000183359 [0,2,0,0,0,0|1,0,1]=4 9320 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000183359 [0,2,0,0,0,0|1,0,1]=4 9321 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Br 34a_100000183829_100000747449 [0,2,0,0,0,0|1,0,1]=4 9322 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000747449 [0,2,0,0,0,0|1,0,1]=4 9323 B18R2.9347 COC(=O)COc1ccc2ccccc2c1C 34a_100009830054_100000747449 [0,2,0,0,0,0|1,0,1]=4 9324 B18R2.9347 COC(=O)COc1ccc2ccccc2c1C 7a_100009830054_100000747449 [0,2,0,0,0,0|1,0,1]=4 9325 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000747449 [0,2,0,0,0,0|1,0,1]=4 9326 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000747449 [0,2,0,0,0,0|1,0,1]=4 9327 B18R2.9347 COC(=O)COc1ccc2ccccc2c1I 34a_100000041551_100000747449 [0,2,0,0,0,0|1,0,1]=4 9328 B18R2.9347 COC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000747449 [0,2,0,0,0,0|1,0,1]=4 9329 B18R2.9347 COC(=O)COc1ccc2ccccc2c1N 34a_100000007056_100000747449 [0,2,0,0,0,0|1,0,1]=4 9330 B18R2.9347 COC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000747449 [0,2,0,0,0,0|1,0,1]=4 9331 B18R2.9347 COC(C)SCc1ccc2ccccc2c1Br 62a_100009813938_100009879195 [0,2,0,0,0,0|2,0,0]=4 9332 B18R2.9347 COC(C)SCc1ccc2ccccc2c1Br 62a_100009879195_100009813938 [0,2,0,0,0,0|2,0,0]=4 9333 B18R2.9347 C[C@@H](CO)CNc1ccc2ccccc2c1Br 34a_100000705303_100000059175 [0,2,0,0,0,0|1,0,0]=3 9334 B18R2.9347 C[C@@H](CO)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000059175 [0,2,0,0,0,0|1,0,0]=3 9335 B18R2.9347 C[C@@H](CO)CNc1ccc2ccccc2c1O 34a_100000007060_100000059175 [0,2,0,0,0,0|1,0,0]=3 9336 B18R2.9347 C[C@@H](CO)CNc1ccc2cnccc2c1Cl 34a_100009851981_100000059175 [0,2,0,0,0,0|2,0,0]=4 9337 B18R2.9347 C[C@@H](CO)CNc1ccc2ncccc2c1Br 34a_200009995563_100000059175 [0,2,0,0,0,0|2,0,0]=4 9338 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Br 34a_100000183829_100000059175 [0,2,0,0,0,0|0,0,0]=2 9339 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Br 7a_100000183829_100000059175 [0,2,0,0,0,0|0,0,0]=2 9340 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Cl 34a_100000029778_100000059175 [0,2,0,0,0,0|0,0,0]=2 9341 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Cl 7a_100000029778_100000059175 [0,2,0,0,0,0|0,0,0]=2 9342 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1I 34a_100000041551_100000059175 [0,2,0,0,0,0|0,0,0]=2 9343 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1I 7a_100000041551_100000059175 [0,2,0,0,0,0|0,0,0]=2 9344 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1N 34a_100000007056_100000059175 [0,2,0,0,0,0|0,0,0]=2 9345 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1N 7a_100000007056_100000059175 [0,2,0,0,0,0|0,0,0]=2 9346 B18R2.9347 C[C@@H](CO)COc1ccc2cccnc2c1Br 34a_100010173343_100000059175 [0,2,0,0,0,0|1,0,0]=3 9347 B18R2.9347 C[C@@H](CO)COc1ccc2cccnc2c1Br 7a_100010173343_100000059175 [0,2,0,0,0,0|1,0,0]=3 9348 B18R2.9347 C[C@@H](CO)COc1ccc2ccncc2c1Br 34a_200010115057_100000059175 [0,2,0,0,0,0|1,0,0]=3 9349 B18R2.9347 C[C@@H](CO)COc1ccc2ccncc2c1Br 7a_200010115057_100000059175 [0,2,0,0,0,0|1,0,0]=3 9350 B18R2.9347 C[C@@H](CO)COc1ccc2cnccc2c1Cl 34a_100009824633_100000059175 [0,2,0,0,0,0|1,0,0]=3 9351 B18R2.9347 C[C@@H](CO)COc1ccc2cnccc2c1Cl 7a_100009824633_100000059175 [0,2,0,0,0,0|1,0,0]=3 9352 B18R2.9347 C[C@@H](CO)CSc1c[nH]c2ccccc2c1=O 62a_100000059175_100012348052 [0,2,0,0,0,0|1,1,0]=4 9353 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1Br 62a_100000059175_200010089984 [0,2,0,0,0,0|0,1,0]=3 9354 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1Br 62a_200010089984_100000059175 [0,2,0,0,0,0|0,1,0]=3 9355 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1F 62a_100000059175_100009832041 [0,2,0,0,0,0|0,1,0]=3 9356 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1F 62a_100009832041_100000059175 [0,2,0,0,0,0|0,1,0]=3 9357 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1N 62a_100009817101_100000059175 [0,2,0,0,0,0|0,1,0]=3 9358 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1O 62a_100000059175_100009996032 [0,2,0,0,0,0|0,1,0]=3 9359 B18R2.9347 C[C@@H](CO)CSc1ccc2cccnc2c1F 62a_100000059175_100010751467 [0,2,0,0,0,0|1,1,0]=4 9360 B18R2.9347 C[C@@H](CO)CSc1ccc2cccnc2c1F 62a_100010751467_100000059175 [0,2,0,0,0,0|1,1,0]=4 9361 B18R2.9347 C[C@@H](CO)CSc1ccc2cccnc2c1O 62a_100000059175_100009816563 [0,2,0,0,0,0|1,1,0]=4 9362 B18R2.9347 C[C@@H](CO)CSc1ccc2cnccc2c1N 62a_100000059175_100010191621 [0,2,0,0,0,0|1,1,0]=4 9363 B18R2.9347 C[C@@H](CO)CSc1ccc2cnccc2c1N 62a_100010191621_100000059175 [0,2,0,0,0,0|1,1,0]=4 9364 B18R2.9347 C[C@@H](CO)CSc1ccc2ncccc2c1N 62a_200010235790_100000059175 [0,2,0,0,0,0|1,1,0]=4 9365 B18R2.9347 C[C@@H](CO)CSc1cnc2ccccc2c1Cl 62a_100000059175_100012352519 [0,2,0,0,0,0|1,1,0]=4 9366 B18R2.9347 C[C@@H](CO)CSc1cnc2ccccc2c1N 62a_100000059175_100009995562 [0,2,0,0,0,0|1,1,0]=4 9367 B18R2.9347 C[C@@H](CO)CSc1cnc2ccccc2c1N 62a_100009995562_100000059175 [0,2,0,0,0,0|1,1,0]=4 9368 B18R2.9347 C[C@@H](CO)CSc1coc2ccccc2c1=O 62a_100000059175_100009813851 [0,2,0,0,0,0|1,1,0]=4 9369 B18R2.9347 C[C@@H](CO)CSc1ncc2ccccc2c1N 62a_100000059175_100000087573 [0,2,0,0,0,0|1,1,0]=4 9370 B18R2.9347 C[C@@H](CO)CSc1ncc2ccccc2c1N 62a_100009995564_100000059175 [0,2,0,0,0,0|1,1,0]=4 9371 B18R2.9347 C[C@H](CF)NCc1ccc2ccccc2c1Br 207a_100102880703_100009813496 [0,2,0,0,0,0|2,0,0]=4 9372 B18R2.9347 C[C@H](CF)NCc1ccc2ccccc2c1Br 270004a_100102880703_100009813496 [0,2,0,0,0,0|2,0,0]=4 9373 B18R2.9347 C[C@H](CO)NCc1ccc2ccccc2c1Br 207a_100000737577_100009813496 [0,2,0,0,0,0|2,0,0]=4 9374 B18R2.9347 C[C@H](CO)NCc1ccc2ccccc2c1Br 2230a_100000737577_100009813938 [0,2,0,0,0,0|2,0,0]=4 9375 B18R2.9347 C[C@H](CO)NCc1ccc2ccccc2c1Br 270004a_100000737577_100009813496 [0,2,0,0,0,0|2,0,0]=4 9376 B18R2.9347 C[C@H](CO)SCc1ccc2ccccc2c1Br 62a_100009813938_100016084084 [0,2,0,0,0,0|2,0,0]=4 9377 B18R2.9347 C[C@H](CO)SCc1ccc2ccccc2c1Br 62a_100016084084_100009813938 [0,2,0,0,0,0|2,0,0]=4 9378 B18R2.9347 Cc1c(ccc2c1cccc2)OCC(O)CO 34a_100009830054_100011219619 [0,2,0,0,0,0|1,0,0]=3 9379 B18R2.9347 Cc1c(ccc2c1cccc2)OCC(O)CO 7a_100009830054_100011219619 [0,2,0,0,0,0|1,0,0]=3 9380 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](C)CO 34a_100009830054_100000059175 [0,2,0,0,0,0|0,0,0]=2 9381 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](C)CO 7a_100009830054_100000059175 [0,2,0,0,0,0|0,0,0]=2 9382 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CF 34a_100009830054_100015614560 [0,2,0,0,0,0|1,0,0]=3 9383 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CF 7a_100009830054_100015614560 [0,2,0,0,0,0|1,0,0]=3 9384 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CO 34a_100009830054_100009815848 [0,2,0,0,0,0|1,0,0]=3 9385 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CO 7a_100009830054_100009815848 [0,2,0,0,0,0|1,0,0]=3 9386 B18R2.9347 Cc1c(ccc2c1cccc2)SCC(O)CO 62a_100010221197_100011219619 [0,2,0,0,0,0|1,1,0]=4 9387 B18R2.9347 Cc1c(ccc2c1cccc2)SCC(O)CO 62a_100011219619_100010221197 [0,2,0,0,0,0|1,1,0]=4 9388 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](C)CO 62a_100000059175_100010221197 [0,2,0,0,0,0|0,1,0]=3 9389 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](C)CO 62a_100010221197_100000059175 [0,2,0,0,0,0|0,1,0]=3 9390 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100010221197_100015614560 [0,2,0,0,0,0|1,1,0]=4 9391 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010221197 [0,2,0,0,0,0|1,1,0]=4 9392 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100010221197 [0,2,0,0,0,0|1,1,0]=4 9393 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CO 62a_100010221197_100009815848 [0,2,0,0,0,0|1,1,0]=4 9394 B18R2.9347 Cc1c(ccc2c1cccn2)SC[C@@H](C)CO 62a_100000059175_200010137439 [0,2,0,0,0,0|1,1,0]=4 9395 B18R2.9347 Cc1c(ccc2c1cccn2)SC[C@@H](C)CO 62a_200010137439_100000059175 [0,2,0,0,0,0|1,1,0]=4 9396 B18R2.9347 Cc1c(ccc2c1nccc2)SC[C@@H](C)CO 62a_100000059175_100010214467 [0,2,0,0,0,0|1,1,0]=4 9397 B18R2.9347 Nc1c(ccc2c1cccc2)OCC(O)CO 34a_100000007056_100011219619 [0,2,0,0,0,0|1,0,0]=3 9398 B18R2.9347 Nc1c(ccc2c1cccc2)OCC(O)CO 7a_100000007056_100011219619 [0,2,0,0,0,0|1,0,0]=3 9399 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CF 34a_100000007056_100015614560 [0,2,0,0,0,0|1,0,0]=3 9400 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CF 7a_100000007056_100015614560 [0,2,0,0,0,0|1,0,0]=3 9401 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CO 34a_100000007056_100009815848 [0,2,0,0,0,0|1,0,0]=3 9402 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CO 7a_100000007056_100009815848 [0,2,0,0,0,0|1,0,0]=3 9403 B18R2.9347 Nc1c(ccc2c1cccc2)SCC(O)CO 62a_100009817101_100011219619 [0,2,0,0,0,0|1,1,0]=4 9404 B18R2.9347 Nc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100009817101_100015614560 [0,2,0,0,0,0|1,1,0]=4 9405 B18R2.9347 Nc1c(ccc2c1cccc2)SC[C@@H](O)CO 62a_100009817101_100009815848 [0,2,0,0,0,0|1,1,0]=4 9406 B18R2.9347 OCC(O)CNc1ccc2ccccc2c1Br 34a_100000705303_100011219619 [0,2,0,0,0,0|2,0,0]=4 9407 B18R2.9347 OCC(O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011219619 [0,2,0,0,0,0|2,0,0]=4 9408 B18R2.9347 OCC(O)CNc1ccc2ccccc2c1O 34a_100000007060_100011219619 [0,2,0,0,0,0|2,0,0]=4 9409 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100011219619 [0,2,0,0,0,0|1,0,0]=3 9410 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100011219619 [0,2,0,0,0,0|1,0,0]=3 9411 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100011219619 [0,2,0,0,0,0|1,0,0]=3 9412 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100011219619 [0,2,0,0,0,0|1,0,0]=3 9413 B18R2.9347 OCC(O)COc1ccc2ccccc2c1I 34a_100000041551_100011219619 [0,2,0,0,0,0|1,0,0]=3 9414 B18R2.9347 OCC(O)COc1ccc2ccccc2c1I 7a_100000041551_100011219619 [0,2,0,0,0,0|1,0,0]=3 9415 B18R2.9347 OCC(O)COc1ccc2cccnc2c1Br 34a_100010173343_100011219619 [0,2,0,0,0,0|2,0,0]=4 9416 B18R2.9347 OCC(O)COc1ccc2cccnc2c1Br 7a_100010173343_100011219619 [0,2,0,0,0,0|2,0,0]=4 9417 B18R2.9347 OCC(O)COc1ccc2ccncc2c1Br 34a_200010115057_100011219619 [0,2,0,0,0,0|2,0,0]=4 9418 B18R2.9347 OCC(O)COc1ccc2ccncc2c1Br 7a_200010115057_100011219619 [0,2,0,0,0,0|2,0,0]=4 9419 B18R2.9347 OCC(O)COc1ccc2cnccc2c1Cl 34a_100009824633_100011219619 [0,2,0,0,0,0|2,0,0]=4 9420 B18R2.9347 OCC(O)COc1ccc2cnccc2c1Cl 7a_100009824633_100011219619 [0,2,0,0,0,0|2,0,0]=4 9421 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1Br 62a_100011219619_200010089984 [0,2,0,0,0,0|1,1,0]=4 9422 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1Br 62a_200010089984_100011219619 [0,2,0,0,0,0|1,1,0]=4 9423 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1F 62a_100009832041_100011219619 [0,2,0,0,0,0|1,1,0]=4 9424 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1F 62a_100011219619_100009832041 [0,2,0,0,0,0|1,1,0]=4 9425 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1O 62a_100011219619_100009996032 [0,2,0,0,0,0|1,1,0]=4 9426 B18R2.9347 OC[C@H](O)CNc1ccc2ccccc2c1Br 34a_100000705303_100009815848 [0,2,0,0,0,0|2,0,0]=4 9427 B18R2.9347 OC[C@H](O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100009815848 [0,2,0,0,0,0|2,0,0]=4 9428 B18R2.9347 OC[C@H](O)CNc1ccc2ccccc2c1O 34a_100000007060_100009815848 [0,2,0,0,0,0|2,0,0]=4 9429 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Br 34a_100000183829_100009815848 [0,2,0,0,0,0|1,0,0]=3 9430 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Br 7a_100000183829_100009815848 [0,2,0,0,0,0|1,0,0]=3 9431 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Cl 34a_100000029778_100009815848 [0,2,0,0,0,0|1,0,0]=3 9432 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Cl 7a_100000029778_100009815848 [0,2,0,0,0,0|1,0,0]=3 9433 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1I 34a_100000041551_100009815848 [0,2,0,0,0,0|1,0,0]=3 9434 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1I 7a_100000041551_100009815848 [0,2,0,0,0,0|1,0,0]=3 9435 B18R2.9347 OC[C@H](O)COc1ccc2cccnc2c1Br 34a_100010173343_100009815848 [0,2,0,0,0,0|2,0,0]=4 9436 B18R2.9347 OC[C@H](O)COc1ccc2cccnc2c1Br 7a_100010173343_100009815848 [0,2,0,0,0,0|2,0,0]=4 9437 B18R2.9347 OC[C@H](O)COc1ccc2ccncc2c1Br 34a_200010115057_100009815848 [0,2,0,0,0,0|2,0,0]=4 9438 B18R2.9347 OC[C@H](O)COc1ccc2ccncc2c1Br 7a_200010115057_100009815848 [0,2,0,0,0,0|2,0,0]=4 9439 B18R2.9347 OC[C@H](O)COc1ccc2cnccc2c1Cl 34a_100009824633_100009815848 [0,2,0,0,0,0|2,0,0]=4 9440 B18R2.9347 OC[C@H](O)COc1ccc2cnccc2c1Cl 7a_100009824633_100009815848 [0,2,0,0,0,0|2,0,0]=4 9441 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1Br 62a_100009815848_200010089984 [0,2,0,0,0,0|1,1,0]=4 9442 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1Br 62a_200010089984_100009815848 [0,2,0,0,0,0|1,1,0]=4 9443 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1F 62a_100009815848_100009832041 [0,2,0,0,0,0|1,1,0]=4 9444 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1F 62a_100009832041_100009815848 [0,2,0,0,0,0|1,1,0]=4 9445 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1O 62a_100009815848_100009996032 [0,2,0,0,0,0|1,1,0]=4 9446 B18R2.9347 O[C@@H](CF)CNc1ccc2ccccc2c1Br 34a_100000705303_100015614560 [0,2,0,0,0,0|2,0,0]=4 9447 B18R2.9347 O[C@@H](CF)CNc1ccc2ccccc2c1Cl 34a_100000075557_100015614560 [0,2,0,0,0,0|2,0,0]=4 9448 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Br 34a_100000183829_100015614560 [0,2,0,0,0,0|1,0,0]=3 9449 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Br 7a_100000183829_100015614560 [0,2,0,0,0,0|1,0,0]=3 9450 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Cl 34a_100000029778_100015614560 [0,2,0,0,0,0|1,0,0]=3 9451 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Cl 7a_100000029778_100015614560 [0,2,0,0,0,0|1,0,0]=3 9452 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1I 34a_100000041551_100015614560 [0,2,0,0,0,0|1,0,0]=3 9453 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1I 7a_100000041551_100015614560 [0,2,0,0,0,0|1,0,0]=3 9454 B18R2.9347 O[C@@H](CF)COc1ccc2cccnc2c1Br 34a_100010173343_100015614560 [0,2,0,0,0,0|2,0,0]=4 9455 B18R2.9347 O[C@@H](CF)COc1ccc2cccnc2c1Br 7a_100010173343_100015614560 [0,2,0,0,0,0|2,0,0]=4 9456 B18R2.9347 O[C@@H](CF)COc1ccc2ccncc2c1Br 34a_200010115057_100015614560 [0,2,0,0,0,0|2,0,0]=4 9457 B18R2.9347 O[C@@H](CF)COc1ccc2ccncc2c1Br 7a_200010115057_100015614560 [0,2,0,0,0,0|2,0,0]=4 9458 B18R2.9347 O[C@@H](CF)COc1ccc2cnccc2c1Cl 34a_100009824633_100015614560 [0,2,0,0,0,0|2,0,0]=4 9459 B18R2.9347 O[C@@H](CF)COc1ccc2cnccc2c1Cl 7a_100009824633_100015614560 [0,2,0,0,0,0|2,0,0]=4 9460 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1Br 62a_100015614560_200010089984 [0,2,0,0,0,0|1,1,0]=4 9461 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1Br 62a_200010089984_100015614560 [0,2,0,0,0,0|1,1,0]=4 9462 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1F 62a_100009832041_100015614560 [0,2,0,0,0,0|1,1,0]=4 9463 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1F 62a_100015614560_100009832041 [0,2,0,0,0,0|1,1,0]=4 9464 B18R2.9347 Oc1c(ccc2c1cccc2)NC[C@@H](O)CF 34a_100000007060_100015614560 [0,2,0,0,0,0|2,0,0]=4 9465 B18R2.9347 Oc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100009996032 [0,2,0,0,0,0|1,1,0]=4 9466 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000730141 [0,2,0,0,0,0|1,0,1]=4 9467 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000730141 [0,2,0,0,0,0|1,0,1]=4 9468 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000730141 [0,2,0,0,0,0|1,0,1]=4 9469 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000730141 [0,2,0,0,0,0|1,0,1]=4 9470 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000730141 [0,2,0,0,0,0|1,0,1]=4 9471 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000730141 [0,2,0,0,0,0|1,0,1]=4 9472 B18R2.9994 CCC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000747405 [0,2,0,0,0,0|1,0,1]=4 9473 B18R2.9994 CCC(=O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000747405 [0,2,0,0,0,0|1,0,1]=4 9474 B18R2.9994 CCC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000747405 [0,2,0,0,0,0|1,0,1]=4 9475 B18R2.9994 CCC(C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000748023 [0,2,0,0,0,0|1,0,0]=3 9476 B18R2.9994 CCC(C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000748023 [0,2,0,0,0,0|1,0,0]=3 9477 B18R2.9994 CCC(C)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000748023 [0,2,0,0,0,0|2,0,0]=4 9478 B18R2.9994 CCC(C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000748023 [0,2,0,0,0,0|1,0,0]=3 9479 B18R2.9994 CCC(C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000748023 [0,2,0,0,0,0|1,0,0]=3 9480 B18R2.9994 CCC(C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000748023 [0,2,0,0,0,0|1,0,0]=3 9481 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000748023 [0,2,0,0,0,0|0,0,0]=2 9482 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000748023 [0,2,0,0,0,0|0,0,0]=2 9483 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000748023 [0,2,0,0,0,0|0,0,0]=2 9484 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000748023 [0,2,0,0,0,0|0,0,0]=2 9485 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)C 34a_100009867695_100000748023 [0,2,0,0,0,0|1,0,0]=3 9486 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)C 7a_100009867695_100000748023 [0,2,0,0,0,0|1,0,0]=3 9487 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000748023 [0,2,0,0,0,0|1,0,0]=3 9488 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000748023 [0,2,0,0,0,0|1,0,0]=3 9489 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000748023 [0,2,0,0,0,0|1,0,0]=3 9490 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000748023 [0,2,0,0,0,0|1,0,0]=3 9491 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000748023 [0,2,0,0,0,0|1,0,0]=3 9492 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000748023 [0,2,0,0,0,0|1,0,0]=3 9493 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000748023 [0,2,0,0,0,0|1,0,0]=3 9494 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000748023 [0,2,0,0,0,0|1,0,0]=3 9495 B18R2.9994 CCC(C)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000748023 [0,2,0,0,0,0|2,0,0]=4 9496 B18R2.9994 CCC(C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000748023 [0,2,0,0,0,0|1,0,0]=3 9497 B18R2.9994 CCC(C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000748023 [0,2,0,0,0,0|1,0,0]=3 9498 B18R2.9994 CCC(C)CSc1cc2cc(ccc2cn1)F 62a_100000748023_100009828686 [0,2,0,0,0,0|1,1,0]=4 9499 B18R2.9994 CCC(C)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100000748023 [0,2,0,0,0,0|1,1,0]=4 9500 B18R2.9994 CCC(C)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100000748023_100009816120 [0,2,0,0,0,0|1,1,0]=4 9501 B18R2.9994 CCC(C)CSc1ccc2ccc(=O)oc2c1 62a_100000748023_100009993525 [0,2,0,0,0,0|1,1,0]=4 9502 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2c1)N 62a_100000748023_100010090036 [0,2,0,0,0,0|0,1,0]=3 9503 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000748023 [0,2,0,0,0,0|0,1,0]=3 9504 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2c1)O 62a_100000748023_100009816537 [0,2,0,0,0,0|0,1,0]=3 9505 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2n1)O 62a_100000748023_100000079174 [0,2,0,0,0,0|1,1,0]=4 9506 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)C 62a_100000748023_100009817087 [0,2,0,0,0,0|1,1,0]=4 9507 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)C 62a_100009817087_100000748023 [0,2,0,0,0,0|1,1,0]=4 9508 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100000748023 [0,2,0,0,0,0|1,1,0]=4 9509 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)O 62a_100000748023_100000690401 [0,2,0,0,0,0|1,1,0]=4 9510 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)F 62a_100000748023_100010291885 [0,2,0,0,0,0|1,1,0]=4 9511 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100000748023 [0,2,0,0,0,0|1,1,0]=4 9512 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)N 62a_100000748023_100009817123 [0,2,0,0,0,0|1,1,0]=4 9513 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100000748023 [0,2,0,0,0,0|1,1,0]=4 9514 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)O 62a_100000748023_100009817130 [0,2,0,0,0,0|1,1,0]=4 9515 B18R2.9994 CCC(C)CSc1ccc2ncc(cc2c1)C 62a_100000748023_100009817055 [0,2,0,0,0,0|1,1,0]=4 9516 B18R2.9994 CCC(C)CSc1ccc2ncc(cc2c1)O 62a_100000748023_100000703654 [0,2,0,0,0,0|1,1,0]=4 9517 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)C 62a_100000748023_100015841224 [0,2,0,0,0,0|1,1,0]=4 9518 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)N 62a_100000748023_100009888932 [0,2,0,0,0,0|1,1,0]=4 9519 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100000748023 [0,2,0,0,0,0|1,1,0]=4 9520 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)O 62a_100000748023_100010137430 [0,2,0,0,0,0|1,1,0]=4 9521 B18R2.9994 CCC(C)NCc1ccc2ccc(cc2c1)Br 207a_100000209981_100010200085 [0,2,0,0,0,0|2,0,0]=4 9522 B18R2.9994 CCC(C)NCc1ccc2ccc(cc2c1)Br 270004a_100000209981_100010200085 [0,2,0,0,0,0|2,0,0]=4 9523 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011218378 [0,2,0,0,0,0|2,0,0]=4 9524 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011218378 [0,2,0,0,0,0|2,0,0]=4 9525 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011218378 [0,2,0,0,0,0|2,0,0]=4 9526 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100011218378 [0,2,0,0,0,0|2,0,0]=4 9527 B18R2.9994 CCC(O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011218378 [0,2,0,0,0,0|2,0,0]=4 9528 B18R2.9994 CCC(O)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100011218378 [0,2,0,0,0,0|2,0,0]=4 9529 B18R2.9994 CCC(O)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100011218378 [0,2,0,0,0,0|2,0,0]=4 9530 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218378 [0,2,0,0,0,0|1,0,0]=3 9531 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011218378 [0,2,0,0,0,0|1,0,0]=3 9532 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100011218378 [0,2,0,0,0,0|1,0,0]=3 9533 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100011218378 [0,2,0,0,0,0|1,0,0]=3 9534 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100011218378 [0,2,0,0,0,0|1,0,0]=3 9535 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100011218378 [0,2,0,0,0,0|1,0,0]=3 9536 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)C 34a_100009867695_100011218378 [0,2,0,0,0,0|2,0,0]=4 9537 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)C 7a_100009867695_100011218378 [0,2,0,0,0,0|2,0,0]=4 9538 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011218378 [0,2,0,0,0,0|2,0,0]=4 9539 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011218378 [0,2,0,0,0,0|2,0,0]=4 9540 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011218378 [0,2,0,0,0,0|2,0,0]=4 9541 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100011218378 [0,2,0,0,0,0|2,0,0]=4 9542 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011218378 [0,2,0,0,0,0|2,0,0]=4 9543 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011218378 [0,2,0,0,0,0|2,0,0]=4 9544 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011218378 [0,2,0,0,0,0|2,0,0]=4 9545 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100011218378 [0,2,0,0,0,0|2,0,0]=4 9546 B18R2.9994 CCC(O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011218378 [0,2,0,0,0,0|2,0,0]=4 9547 B18R2.9994 CCC(O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100011218378 [0,2,0,0,0,0|2,0,0]=4 9548 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100011218378 [0,2,0,0,0,0|1,1,0]=4 9549 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2c1)N 62a_100011218378_100010090036 [0,2,0,0,0,0|1,1,0]=4 9550 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2c1)O 62a_100011218378_100009816537 [0,2,0,0,0,0|1,1,0]=4 9551 B18R2.9994 CC[C@H](C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100009816398 [0,2,0,0,0,0|1,0,0]=3 9552 B18R2.9994 CC[C@H](C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100009816398 [0,2,0,0,0,0|1,0,0]=3 9553 B18R2.9994 CC[C@H](C)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100009816398 [0,2,0,0,0,0|2,0,0]=4 9554 B18R2.9994 CC[C@H](C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100009816398 [0,2,0,0,0,0|1,0,0]=3 9555 B18R2.9994 CC[C@H](C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100009816398 [0,2,0,0,0,0|1,0,0]=3 9556 B18R2.9994 CC[C@H](C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100009816398 [0,2,0,0,0,0|1,0,0]=3 9557 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)C 34a_100000091598_100009816398 [0,2,0,0,0,0|0,0,0]=2 9558 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)C 7a_100000091598_100009816398 [0,2,0,0,0,0|0,0,0]=2 9559 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100009816398 [0,2,0,0,0,0|0,0,0]=2 9560 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100009816398 [0,2,0,0,0,0|0,0,0]=2 9561 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)C 34a_100009867695_100009816398 [0,2,0,0,0,0|1,0,0]=3 9562 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)C 7a_100009867695_100009816398 [0,2,0,0,0,0|1,0,0]=3 9563 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009816398 [0,2,0,0,0,0|1,0,0]=3 9564 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009816398 [0,2,0,0,0,0|1,0,0]=3 9565 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100009816398 [0,2,0,0,0,0|1,0,0]=3 9566 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100009816398 [0,2,0,0,0,0|1,0,0]=3 9567 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009816398 [0,2,0,0,0,0|1,0,0]=3 9568 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009816398 [0,2,0,0,0,0|1,0,0]=3 9569 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100009816398 [0,2,0,0,0,0|1,0,0]=3 9570 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100009816398 [0,2,0,0,0,0|1,0,0]=3 9571 B18R2.9994 CC[C@H](C)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100009816398 [0,2,0,0,0,0|2,0,0]=4 9572 B18R2.9994 CC[C@H](C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100009816398 [0,2,0,0,0,0|1,0,0]=3 9573 B18R2.9994 CC[C@H](C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100009816398 [0,2,0,0,0,0|1,0,0]=3 9574 B18R2.9994 CC[C@H](C)CSc1cc2cc(ccc2cn1)F 62a_100009816398_100009828686 [0,2,0,0,0,0|1,1,0]=4 9575 B18R2.9994 CC[C@H](C)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100009816398 [0,2,0,0,0,0|1,1,0]=4 9576 B18R2.9994 CC[C@H](C)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100009816398_100009816120 [0,2,0,0,0,0|1,1,0]=4 9577 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(=O)oc2c1 62a_100009816398_100009993525 [0,2,0,0,0,0|1,1,0]=4 9578 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2c1)N 62a_100009816398_100010090036 [0,2,0,0,0,0|0,1,0]=3 9579 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100009816398 [0,2,0,0,0,0|0,1,0]=3 9580 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2c1)O 62a_100009816398_100009816537 [0,2,0,0,0,0|0,1,0]=3 9581 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2n1)O 62a_100009816398_100000079174 [0,2,0,0,0,0|1,1,0]=4 9582 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)C 62a_100009816398_100009817087 [0,2,0,0,0,0|1,1,0]=4 9583 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)C 62a_100009817087_100009816398 [0,2,0,0,0,0|1,1,0]=4 9584 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100009816398 [0,2,0,0,0,0|1,1,0]=4 9585 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)O 62a_100009816398_100000690401 [0,2,0,0,0,0|1,1,0]=4 9586 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)F 62a_100009816398_100010291885 [0,2,0,0,0,0|1,1,0]=4 9587 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100009816398 [0,2,0,0,0,0|1,1,0]=4 9588 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)N 62a_100009816398_100009817123 [0,2,0,0,0,0|1,1,0]=4 9589 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100009816398 [0,2,0,0,0,0|1,1,0]=4 9590 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)O 62a_100009816398_100009817130 [0,2,0,0,0,0|1,1,0]=4 9591 B18R2.9994 CC[C@H](C)CSc1ccc2ncc(cc2c1)C 62a_100009816398_100009817055 [0,2,0,0,0,0|1,1,0]=4 9592 B18R2.9994 CC[C@H](C)CSc1ccc2ncc(cc2c1)O 62a_100009816398_100000703654 [0,2,0,0,0,0|1,1,0]=4 9593 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)C 62a_100009816398_100015841224 [0,2,0,0,0,0|1,1,0]=4 9594 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)N 62a_100009816398_100009888932 [0,2,0,0,0,0|1,1,0]=4 9595 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100009816398 [0,2,0,0,0,0|1,1,0]=4 9596 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)O 62a_100009816398_100010137430 [0,2,0,0,0,0|1,1,0]=4 9597 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000183359 [0,2,0,0,0,0|1,0,1]=4 9598 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000183359 [0,2,0,0,0,0|1,0,1]=4 9599 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000183359 [0,2,0,0,0,0|1,0,1]=4 9600 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000183359 [0,2,0,0,0,0|1,0,1]=4 9601 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000183359 [0,2,0,0,0,0|1,0,1]=4 9602 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000183359 [0,2,0,0,0,0|1,0,1]=4 9603 B18R2.9994 CNC(C)COc1ccc2ccc(=O)oc2c1 270004a_106832991635_200000000116 [0,2,0,0,0,0|1,0,0]=3 9604 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000747449 [0,2,0,0,0,0|1,0,1]=4 9605 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000747449 [0,2,0,0,0,0|1,0,1]=4 9606 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000747449 [0,2,0,0,0,0|1,0,1]=4 9607 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000747449 [0,2,0,0,0,0|1,0,1]=4 9608 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000747449 [0,2,0,0,0,0|1,0,1]=4 9609 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000747449 [0,2,0,0,0,0|1,0,1]=4 9610 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000059175 [0,2,0,0,0,0|1,0,0]=3 9611 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000059175 [0,2,0,0,0,0|1,0,0]=3 9612 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000059175 [0,2,0,0,0,0|1,0,0]=3 9613 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000059175 [0,2,0,0,0,0|1,0,0]=3 9614 B18R2.9994 C[C@@H](CO)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000059175 [0,2,0,0,0,0|2,0,0]=4 9615 B18R2.9994 C[C@@H](CO)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000059175 [0,2,0,0,0,0|1,0,0]=3 9616 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000059175 [0,2,0,0,0,0|1,0,0]=3 9617 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000059175 [0,2,0,0,0,0|1,0,0]=3 9618 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000059175 [0,2,0,0,0,0|0,0,0]=2 9619 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000059175 [0,2,0,0,0,0|0,0,0]=2 9620 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000059175 [0,2,0,0,0,0|0,0,0]=2 9621 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000059175 [0,2,0,0,0,0|0,0,0]=2 9622 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000059175 [0,2,0,0,0,0|1,0,0]=3 9623 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000059175 [0,2,0,0,0,0|1,0,0]=3 9624 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000059175 [0,2,0,0,0,0|1,0,0]=3 9625 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000059175 [0,2,0,0,0,0|1,0,0]=3 9626 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000059175 [0,2,0,0,0,0|1,0,0]=3 9627 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000059175 [0,2,0,0,0,0|1,0,0]=3 9628 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000059175 [0,2,0,0,0,0|1,0,0]=3 9629 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000059175 [0,2,0,0,0,0|1,0,0]=3 9630 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000059175 [0,2,0,0,0,0|2,0,0]=4 9631 B18R2.9994 C[C@@H](CO)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000059175 [0,2,0,0,0,0|1,0,0]=3 9632 B18R2.9994 C[C@@H](CO)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000059175 [0,2,0,0,0,0|1,0,0]=3 9633 B18R2.9994 C[C@@H](CO)CSc1cc2cc(ccc2cn1)F 62a_100000059175_100009828686 [0,2,0,0,0,0|1,1,0]=4 9634 B18R2.9994 C[C@@H](CO)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100000059175 [0,2,0,0,0,0|1,1,0]=4 9635 B18R2.9994 C[C@@H](CO)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100000059175_100009816120 [0,2,0,0,0,0|1,1,0]=4 9636 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(=O)oc2c1 62a_100000059175_100009993525 [0,2,0,0,0,0|1,1,0]=4 9637 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2c1)N 62a_100000059175_100010090036 [0,2,0,0,0,0|0,1,0]=3 9638 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000059175 [0,2,0,0,0,0|0,1,0]=3 9639 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2c1)O 62a_100000059175_100009816537 [0,2,0,0,0,0|0,1,0]=3 9640 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2n1)O 62a_100000059175_100000079174 [0,2,0,0,0,0|1,1,0]=4 9641 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100000059175 [0,2,0,0,0,0|1,1,0]=4 9642 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(nc2c1)O 62a_100000059175_100000690401 [0,2,0,0,0,0|1,1,0]=4 9643 B18R2.9994 C[C@@H](CO)CSc1ccc2cnc(cc2c1)F 62a_100000059175_100010291885 [0,2,0,0,0,0|1,1,0]=4 9644 B18R2.9994 C[C@@H](CO)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100000059175 [0,2,0,0,0,0|1,1,0]=4 9645 B18R2.9994 C[C@@H](CO)CSc1ccc2cnc(cc2c1)N 62a_100000059175_100009817123 [0,2,0,0,0,0|1,1,0]=4 9646 B18R2.9994 C[C@@H](CO)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100000059175 [0,2,0,0,0,0|1,1,0]=4 9647 B18R2.9994 C[C@@H](CO)CSc1ccc2cnc(cc2c1)O 62a_100000059175_100009817130 [0,2,0,0,0,0|1,1,0]=4 9648 B18R2.9994 C[C@@H](CO)CSc1ccc2ncc(cc2c1)Br 62a_100000059175_200010254249 [0,2,0,0,0,0|1,1,0]=4 9649 B18R2.9994 C[C@@H](CO)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000059175 [0,2,0,0,0,0|1,1,0]=4 9650 B18R2.9994 C[C@@H](CO)CSc1ccc2ncc(cc2c1)O 62a_100000059175_100000703654 [0,2,0,0,0,0|1,1,0]=4 9651 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)Br 62a_100000059175_100010740133 [0,2,0,0,0,0|1,1,0]=4 9652 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000059175 [0,2,0,0,0,0|1,1,0]=4 9653 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)Cl 62a_100000059175_100015929906 [0,2,0,0,0,0|1,1,0]=4 9654 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000059175 [0,2,0,0,0,0|1,1,0]=4 9655 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)N 62a_100000059175_100009888932 [0,2,0,0,0,0|1,1,0]=4 9656 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100000059175 [0,2,0,0,0,0|1,1,0]=4 9657 B18R2.9994 C[C@@H](CO)CSc1cnc2ccc(cc2c1)O 62a_100000059175_100010137430 [0,2,0,0,0,0|1,1,0]=4 9658 B18R2.9994 C[C@H](CF)NCc1ccc2ccc(cc2c1)Br 207a_100102880703_100010200085 [0,2,0,0,0,0|2,0,0]=4 9659 B18R2.9994 C[C@H](CF)NCc1ccc2ccc(cc2c1)Br 270004a_100102880703_100010200085 [0,2,0,0,0,0|2,0,0]=4 9660 B18R2.9994 C[C@H](CO)NCc1ccc2ccc(cc2c1)Br 207a_100000737577_100010200085 [0,2,0,0,0,0|2,0,0]=4 9661 B18R2.9994 C[C@H](CO)NCc1ccc2ccc(cc2c1)Br 270004a_100000737577_100010200085 [0,2,0,0,0,0|2,0,0]=4 9662 B18R2.9994 Cc1ccc2ccc(cc2c1)OCC(O)CO 34a_100000091598_100011219619 [0,2,0,0,0,0|1,0,0]=3 9663 B18R2.9994 Cc1ccc2ccc(cc2c1)OCC(O)CO 7a_100000091598_100011219619 [0,2,0,0,0,0|1,0,0]=3 9664 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](C)CO 34a_100000091598_100000059175 [0,2,0,0,0,0|0,0,0]=2 9665 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](C)CO 7a_100000091598_100000059175 [0,2,0,0,0,0|0,0,0]=2 9666 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CF 34a_100000091598_100015614560 [0,2,0,0,0,0|1,0,0]=3 9667 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CF 7a_100000091598_100015614560 [0,2,0,0,0,0|1,0,0]=3 9668 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CO 34a_100000091598_100009815848 [0,2,0,0,0,0|1,0,0]=3 9669 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CO 7a_100000091598_100009815848 [0,2,0,0,0,0|1,0,0]=3 9670 B18R2.9994 Cc1ccc2ccc(cc2n1)OCC(O)CO 34a_100009867695_100011219619 [0,2,0,0,0,0|2,0,0]=4 9671 B18R2.9994 Cc1ccc2ccc(cc2n1)OCC(O)CO 7a_100009867695_100011219619 [0,2,0,0,0,0|2,0,0]=4 9672 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](C)CO 34a_100009867695_100000059175 [0,2,0,0,0,0|1,0,0]=3 9673 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](C)CO 7a_100009867695_100000059175 [0,2,0,0,0,0|1,0,0]=3 9674 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CF 34a_100009867695_100015614560 [0,2,0,0,0,0|2,0,0]=4 9675 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CF 7a_100009867695_100015614560 [0,2,0,0,0,0|2,0,0]=4 9676 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CO 34a_100009867695_100009815848 [0,2,0,0,0,0|2,0,0]=4 9677 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CO 7a_100009867695_100009815848 [0,2,0,0,0,0|2,0,0]=4 9678 B18R2.9994 Cc1ccc2ccc(cc2n1)SC[C@@H](C)CO 62a_100000059175_100009817087 [0,2,0,0,0,0|1,1,0]=4 9679 B18R2.9994 Cc1ccc2ccc(cc2n1)SC[C@@H](C)CO 62a_100009817087_100000059175 [0,2,0,0,0,0|1,1,0]=4 9680 B18R2.9994 Cc1ccc2ncc(cc2c1)SC[C@@H](C)CO 62a_100000059175_100015841224 [0,2,0,0,0,0|1,1,0]=4 9681 B18R2.9994 Cc1cnc2ccc(cc2c1)SC[C@@H](C)CO 62a_100000059175_100009817055 [0,2,0,0,0,0|1,1,0]=4 9682 B18R2.9994 Nc1ccc2ccc(cc2c1)OCC(O)CO 34a_100015378740_100011219619 [0,2,0,0,0,0|1,0,0]=3 9683 B18R2.9994 Nc1ccc2ccc(cc2c1)OCC(O)CO 7a_100015378740_100011219619 [0,2,0,0,0,0|1,0,0]=3 9684 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CF 34a_100015378740_100015614560 [0,2,0,0,0,0|1,0,0]=3 9685 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CF 7a_100015378740_100015614560 [0,2,0,0,0,0|1,0,0]=3 9686 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CO 34a_100015378740_100009815848 [0,2,0,0,0,0|1,0,0]=3 9687 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CO 7a_100015378740_100009815848 [0,2,0,0,0,0|1,0,0]=3 9688 B18R2.9994 Nc1ccc2ccc(cc2c1)SCC(O)CO 62a_100010090036_100011219619 [0,2,0,0,0,0|1,1,0]=4 9689 B18R2.9994 Nc1ccc2ccc(cc2c1)SCC(O)CO 62a_100011219619_100010090036 [0,2,0,0,0,0|1,1,0]=4 9690 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CF 62a_100010090036_100015614560 [0,2,0,0,0,0|1,1,0]=4 9691 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CF 62a_100015614560_100010090036 [0,2,0,0,0,0|1,1,0]=4 9692 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CO 62a_100009815848_100010090036 [0,2,0,0,0,0|1,1,0]=4 9693 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CO 62a_100010090036_100009815848 [0,2,0,0,0,0|1,1,0]=4 9694 B18R2.9994 O=c1ccc2ccc(cc2o1)OCC(O)CO 34a_100000185914_100011219619 [0,2,0,0,0,0|2,0,0]=4 9695 B18R2.9994 O=c1ccc2ccc(cc2o1)OCC(O)CO 7a_100000185914_100011219619 [0,2,0,0,0,0|2,0,0]=4 9696 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CF 34a_100000185914_100015614560 [0,2,0,0,0,0|2,0,0]=4 9697 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CF 7a_100000185914_100015614560 [0,2,0,0,0,0|2,0,0]=4 9698 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CO 34a_100000185914_100009815848 [0,2,0,0,0,0|2,0,0]=4 9699 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CO 7a_100000185914_100009815848 [0,2,0,0,0,0|2,0,0]=4 9700 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011219619 [0,2,0,0,0,0|2,0,0]=4 9701 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011219619 [0,2,0,0,0,0|2,0,0]=4 9702 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011219619 [0,2,0,0,0,0|2,0,0]=4 9703 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100011219619 [0,2,0,0,0,0|2,0,0]=4 9704 B18R2.9994 OCC(O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011219619 [0,2,0,0,0,0|2,0,0]=4 9705 B18R2.9994 OCC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011219619 [0,2,0,0,0,0|1,0,0]=3 9706 B18R2.9994 OCC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011219619 [0,2,0,0,0,0|1,0,0]=3 9707 B18R2.9994 OCC(O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011219619 [0,2,0,0,0,0|2,0,0]=4 9708 B18R2.9994 OCC(O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011219619 [0,2,0,0,0,0|2,0,0]=4 9709 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011219619 [0,2,0,0,0,0|2,0,0]=4 9710 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100011219619 [0,2,0,0,0,0|2,0,0]=4 9711 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011219619 [0,2,0,0,0,0|2,0,0]=4 9712 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011219619 [0,2,0,0,0,0|2,0,0]=4 9713 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011219619 [0,2,0,0,0,0|2,0,0]=4 9714 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100011219619 [0,2,0,0,0,0|2,0,0]=4 9715 B18R2.9994 OCC(O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011219619 [0,2,0,0,0,0|2,0,0]=4 9716 B18R2.9994 OCC(O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100011219619 [0,2,0,0,0,0|2,0,0]=4 9717 B18R2.9994 OCC(O)CSc1ccc2ccc(cc2c1)O 62a_100011219619_100009816537 [0,2,0,0,0,0|1,1,0]=4 9718 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100009815848 [0,2,0,0,0,0|2,0,0]=4 9719 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100009815848 [0,2,0,0,0,0|2,0,0]=4 9720 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100009815848 [0,2,0,0,0,0|2,0,0]=4 9721 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100009815848 [0,2,0,0,0,0|2,0,0]=4 9722 B18R2.9994 OC[C@H](O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100009815848 [0,2,0,0,0,0|2,0,0]=4 9723 B18R2.9994 OC[C@H](O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100009815848 [0,2,0,0,0,0|1,0,0]=3 9724 B18R2.9994 OC[C@H](O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100009815848 [0,2,0,0,0,0|1,0,0]=3 9725 B18R2.9994 OC[C@H](O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009815848 [0,2,0,0,0,0|2,0,0]=4 9726 B18R2.9994 OC[C@H](O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009815848 [0,2,0,0,0,0|2,0,0]=4 9727 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100009815848 [0,2,0,0,0,0|2,0,0]=4 9728 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100009815848 [0,2,0,0,0,0|2,0,0]=4 9729 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009815848 [0,2,0,0,0,0|2,0,0]=4 9730 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009815848 [0,2,0,0,0,0|2,0,0]=4 9731 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100009815848 [0,2,0,0,0,0|2,0,0]=4 9732 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100009815848 [0,2,0,0,0,0|2,0,0]=4 9733 B18R2.9994 OC[C@H](O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100009815848 [0,2,0,0,0,0|2,0,0]=4 9734 B18R2.9994 OC[C@H](O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100009815848 [0,2,0,0,0,0|2,0,0]=4 9735 B18R2.9994 OC[C@H](O)CSc1ccc2ccc(cc2c1)O 62a_100009815848_100009816537 [0,2,0,0,0,0|1,1,0]=4 9736 B18R2.9994 O[C@@H](CF)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100015614560 [0,2,0,0,0,0|2,0,0]=4 9737 B18R2.9994 O[C@@H](CF)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100015614560 [0,2,0,0,0,0|2,0,0]=4 9738 B18R2.9994 O[C@@H](CF)COc1cc2cc(ccc2cn1)F 34a_200000101709_100015614560 [0,2,0,0,0,0|2,0,0]=4 9739 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100015614560 [0,2,0,0,0,0|1,0,0]=3 9740 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100015614560 [0,2,0,0,0,0|1,0,0]=3 9741 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100015614560 [0,2,0,0,0,0|2,0,0]=4 9742 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100015614560 [0,2,0,0,0,0|2,0,0]=4 9743 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100015614560 [0,2,0,0,0,0|2,0,0]=4 9744 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100015614560 [0,2,0,0,0,0|2,0,0]=4 9745 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100015614560 [0,2,0,0,0,0|2,0,0]=4 9746 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100015614560 [0,2,0,0,0,0|2,0,0]=4 9747 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)F 34a_100009845357_100015614560 [0,2,0,0,0,0|2,0,0]=4 9748 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)F 7a_100009845357_100015614560 [0,2,0,0,0,0|2,0,0]=4 9749 B18R2.9994 O[C@@H](CF)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100015614560 [0,2,0,0,0,0|2,0,0]=4 9750 B18R2.9994 O[C@@H](CF)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100015614560 [0,2,0,0,0,0|2,0,0]=4 9751 B18R2.9994 Oc1ccc2ccc(cc2c1)NC[C@@H](O)CF 34a_100015378740_100015614560 [0,2,0,0,0,0|2,0,0]=4 9752 B18R2.9994 Oc1ccc2ccc(cc2c1)NC[C@@H](O)CF 7a_100015378740_100015614560 [0,2,0,0,0,0|2,0,0]=4 9753 B18R2.9994 Oc1ccc2ccc(cc2c1)SC[C@@H](O)CF 62a_100015614560_100009816537 [0,2,0,0,0,0|1,1,0]=4 9754 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000730141 [0,2,0,0,0,0|1,0,1]=4 9755 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000730141 [0,2,0,0,0,0|1,0,1]=4 9756 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)C 34a_200000091600_100000730141 [0,2,0,0,0,0|1,0,1]=4 9757 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000730141 [0,2,0,0,0,0|1,0,1]=4 9758 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000730141 [0,2,0,0,0,0|1,0,1]=4 9759 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000730141 [0,2,0,0,0,0|1,0,1]=4 9760 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000730141 [0,2,0,0,0,0|1,0,1]=4 9761 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000730141 [0,2,0,0,0,0|1,0,1]=4 9762 B18R2.10001 CC(CO)CNc1ccc2cccc(c2n1)O 27a_100000744482_100010153751 [0,2,0,0,0,0|2,0,0]=4 9763 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000747405 [0,2,0,0,0,0|1,0,1]=4 9764 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000747405 [0,2,0,0,0,0|1,0,1]=4 9765 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000747405 [0,2,0,0,0,0|1,0,1]=4 9766 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000747405 [0,2,0,0,0,0|1,0,1]=4 9767 B18R2.10001 CCC(C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000748023 [0,2,0,0,0,0|1,0,0]=3 9768 B18R2.10001 CCC(C)CNc1ccc2cccc(c2n1)C 27a_100020588543_100012002297 [0,2,0,0,0,0|2,0,0]=4 9769 B18R2.10001 CCC(C)CNc1ccc2cccc(c2n1)O 27a_100020588543_100010153751 [0,2,0,0,0,0|2,0,0]=4 9770 B18R2.10001 CCC(C)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100000748023 [0,2,0,0,0,0|2,0,0]=4 9771 B18R2.10001 CCC(C)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000748023 [0,2,0,0,0,0|2,0,0]=4 9772 B18R2.10001 CCC(C)CNc1ccc2occc(=O)c2c1 34a_100000088200_100000748023 [0,2,0,0,0,0|2,0,0]=4 9773 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)C 34a_200000091600_100000748023 [0,2,0,0,0,0|0,0,0]=2 9774 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)C 7a_200000091600_100000748023 [0,2,0,0,0,0|0,0,0]=2 9775 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)F 34a_100000091619_100000748023 [0,2,0,0,0,0|0,0,0]=2 9776 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)F 7a_100000091619_100000748023 [0,2,0,0,0,0|0,0,0]=2 9777 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)N 34a_100000034012_100000748023 [0,2,0,0,0,0|0,0,0]=2 9778 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)N 7a_100000034012_100000748023 [0,2,0,0,0,0|0,0,0]=2 9779 B18R2.10001 CCC(C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000748023 [0,2,0,0,0,0|1,0,0]=3 9780 B18R2.10001 CCC(C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000748023 [0,2,0,0,0,0|1,0,0]=3 9781 B18R2.10001 CCC(C)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000748023 [0,2,0,0,0,0|2,0,0]=4 9782 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000748023 [0,2,0,0,0,0|1,0,0]=3 9783 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000748023 [0,2,0,0,0,0|1,0,0]=3 9784 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000748023 [0,2,0,0,0,0|1,0,0]=3 9785 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000748023 [0,2,0,0,0,0|1,0,0]=3 9786 B18R2.10001 CCC(C)CSc1ccc2[nH]ccc(=O)c2c1 62a_100000748023_100000746092 [0,2,0,0,0,0|1,1,0]=4 9787 B18R2.10001 CCC(C)CSc1ccc2cccc(c2c1)N 62a_100000748023_100010090012 [0,2,0,0,0,0|0,1,0]=3 9788 B18R2.10001 CCC(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000748023 [0,2,0,0,0,0|0,1,0]=3 9789 B18R2.10001 CCC(C)CSc1ccc2cccc(c2c1)O 62a_100000748023_100010089991 [0,2,0,0,0,0|0,1,0]=3 9790 B18R2.10001 CCC(C)CSc1ccc2cccc(c2n1)C 62a_100000748023_100012002297 [0,2,0,0,0,0|1,1,0]=4 9791 B18R2.10001 CCC(C)CSc1ccc2cccc(c2n1)F 62a_100000748023_100012017632 [0,2,0,0,0,0|1,1,0]=4 9792 B18R2.10001 CCC(C)CSc1ccc2cccc(c2n1)O 62a_100000748023_100000013812 [0,2,0,0,0,0|1,1,0]=4 9793 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)C 62a_100000748023_200010739692 [0,2,0,0,0,0|1,1,0]=4 9794 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)C 62a_200010739692_100000748023 [0,2,0,0,0,0|1,1,0]=4 9795 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)N 62a_100000748023_100012352255 [0,2,0,0,0,0|1,1,0]=4 9796 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100000748023 [0,2,0,0,0,0|1,1,0]=4 9797 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)O 62a_100000748023_100000010956 [0,2,0,0,0,0|1,1,0]=4 9798 B18R2.10001 CCC(C)CSc1ccc2cncc(c2c1)O 62a_100000748023_100010136424 [0,2,0,0,0,0|1,1,0]=4 9799 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)C 62a_100000748023_100009817033 [0,2,0,0,0,0|1,1,0]=4 9800 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)C 62a_100009817033_100000748023 [0,2,0,0,0,0|1,1,0]=4 9801 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)N 62a_100000748023_100011620571 [0,2,0,0,0,0|1,1,0]=4 9802 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)N 62a_100011620571_100000748023 [0,2,0,0,0,0|1,1,0]=4 9803 B18R2.10001 CCC(C)CSc1ccc2occc(=O)c2c1 62a_100000748023_100009813387 [0,2,0,0,0,0|1,1,0]=4 9804 B18R2.10001 CCC(C)CSc1cnc2cccc(c2c1)N 62a_100000748023_100010264086 [0,2,0,0,0,0|1,1,0]=4 9805 B18R2.10001 CCC(C)CSc1cnc2cccc(c2c1)N 62a_100010264086_100000748023 [0,2,0,0,0,0|1,1,0]=4 9806 B18R2.10001 CCC(C)CSc1cnc2cccc(c2c1)O 62a_100000748023_200010153752 [0,2,0,0,0,0|1,1,0]=4 9807 B18R2.10001 CCC(O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011218378 [0,2,0,0,0,0|2,0,0]=4 9808 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011218378 [0,2,0,0,0,0|1,0,0]=3 9809 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011218378 [0,2,0,0,0,0|1,0,0]=3 9810 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)C 34a_200000091600_100011218378 [0,2,0,0,0,0|1,0,0]=3 9811 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)C 7a_200000091600_100011218378 [0,2,0,0,0,0|1,0,0]=3 9812 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100011218378 [0,2,0,0,0,0|1,0,0]=3 9813 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100011218378 [0,2,0,0,0,0|1,0,0]=3 9814 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100011218378 [0,2,0,0,0,0|1,0,0]=3 9815 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100011218378 [0,2,0,0,0,0|1,0,0]=3 9816 B18R2.10001 CCC(O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011218378 [0,2,0,0,0,0|2,0,0]=4 9817 B18R2.10001 CCC(O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011218378 [0,2,0,0,0,0|2,0,0]=4 9818 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011218378 [0,2,0,0,0,0|2,0,0]=4 9819 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100011218378 [0,2,0,0,0,0|2,0,0]=4 9820 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011218378 [0,2,0,0,0,0|2,0,0]=4 9821 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100011218378 [0,2,0,0,0,0|2,0,0]=4 9822 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)C 62a_100011218378_100010089936 [0,2,0,0,0,0|1,1,0]=4 9823 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)N 62a_100010090012_100011218378 [0,2,0,0,0,0|1,1,0]=4 9824 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)N 62a_100011218378_100010090012 [0,2,0,0,0,0|1,1,0]=4 9825 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)O 62a_100011218378_100010089991 [0,2,0,0,0,0|1,1,0]=4 9826 B18R2.10001 CC[C@H](C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100009816398 [0,2,0,0,0,0|1,0,0]=3 9827 B18R2.10001 CC[C@H](C)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100009816398 [0,2,0,0,0,0|2,0,0]=4 9828 B18R2.10001 CC[C@H](C)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100009816398 [0,2,0,0,0,0|2,0,0]=4 9829 B18R2.10001 CC[C@H](C)CNc1ccc2occc(=O)c2c1 34a_100000088200_100009816398 [0,2,0,0,0,0|2,0,0]=4 9830 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)C 34a_200000091600_100009816398 [0,2,0,0,0,0|0,0,0]=2 9831 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)C 7a_200000091600_100009816398 [0,2,0,0,0,0|0,0,0]=2 9832 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)F 34a_100000091619_100009816398 [0,2,0,0,0,0|0,0,0]=2 9833 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)F 7a_100000091619_100009816398 [0,2,0,0,0,0|0,0,0]=2 9834 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)N 34a_100000034012_100009816398 [0,2,0,0,0,0|0,0,0]=2 9835 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)N 7a_100000034012_100009816398 [0,2,0,0,0,0|0,0,0]=2 9836 B18R2.10001 CC[C@H](C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009816398 [0,2,0,0,0,0|1,0,0]=3 9837 B18R2.10001 CC[C@H](C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009816398 [0,2,0,0,0,0|1,0,0]=3 9838 B18R2.10001 CC[C@H](C)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100009816398 [0,2,0,0,0,0|2,0,0]=4 9839 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100009816398 [0,2,0,0,0,0|1,0,0]=3 9840 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100009816398 [0,2,0,0,0,0|1,0,0]=3 9841 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100009816398 [0,2,0,0,0,0|1,0,0]=3 9842 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100009816398 [0,2,0,0,0,0|1,0,0]=3 9843 B18R2.10001 CC[C@H](C)CSc1ccc2[nH]ccc(=O)c2c1 62a_100009816398_100000746092 [0,2,0,0,0,0|1,1,0]=4 9844 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2c1)N 62a_100009816398_100010090012 [0,2,0,0,0,0|0,1,0]=3 9845 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100009816398 [0,2,0,0,0,0|0,1,0]=3 9846 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2c1)O 62a_100009816398_100010089991 [0,2,0,0,0,0|0,1,0]=3 9847 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2n1)C 62a_100009816398_100012002297 [0,2,0,0,0,0|1,1,0]=4 9848 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2n1)F 62a_100009816398_100012017632 [0,2,0,0,0,0|1,1,0]=4 9849 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2n1)O 62a_100009816398_100000013812 [0,2,0,0,0,0|1,1,0]=4 9850 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)C 62a_100009816398_200010739692 [0,2,0,0,0,0|1,1,0]=4 9851 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)C 62a_200010739692_100009816398 [0,2,0,0,0,0|1,1,0]=4 9852 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)N 62a_100009816398_100012352255 [0,2,0,0,0,0|1,1,0]=4 9853 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100009816398 [0,2,0,0,0,0|1,1,0]=4 9854 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)O 62a_100009816398_100000010956 [0,2,0,0,0,0|1,1,0]=4 9855 B18R2.10001 CC[C@H](C)CSc1ccc2cncc(c2c1)O 62a_100009816398_100010136424 [0,2,0,0,0,0|1,1,0]=4 9856 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)C 62a_100009816398_100009817033 [0,2,0,0,0,0|1,1,0]=4 9857 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)C 62a_100009817033_100009816398 [0,2,0,0,0,0|1,1,0]=4 9858 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)N 62a_100009816398_100011620571 [0,2,0,0,0,0|1,1,0]=4 9859 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)N 62a_100011620571_100009816398 [0,2,0,0,0,0|1,1,0]=4 9860 B18R2.10001 CC[C@H](C)CSc1ccc2occc(=O)c2c1 62a_100009816398_100009813387 [0,2,0,0,0,0|1,1,0]=4 9861 B18R2.10001 CC[C@H](C)CSc1cnc2cccc(c2c1)N 62a_100009816398_100010264086 [0,2,0,0,0,0|1,1,0]=4 9862 B18R2.10001 CC[C@H](C)CSc1cnc2cccc(c2c1)N 62a_100010264086_100009816398 [0,2,0,0,0,0|1,1,0]=4 9863 B18R2.10001 CC[C@H](C)CSc1cnc2cccc(c2c1)O 62a_100009816398_200010153752 [0,2,0,0,0,0|1,1,0]=4 9864 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000183359 [0,2,0,0,0,0|1,0,1]=4 9865 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000183359 [0,2,0,0,0,0|1,0,1]=4 9866 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)C 34a_200000091600_100000183359 [0,2,0,0,0,0|1,0,1]=4 9867 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000183359 [0,2,0,0,0,0|1,0,1]=4 9868 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000183359 [0,2,0,0,0,0|1,0,1]=4 9869 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000183359 [0,2,0,0,0,0|1,0,1]=4 9870 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000183359 [0,2,0,0,0,0|1,0,1]=4 9871 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000183359 [0,2,0,0,0,0|1,0,1]=4 9872 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000747449 [0,2,0,0,0,0|1,0,1]=4 9873 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000747449 [0,2,0,0,0,0|1,0,1]=4 9874 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)C 34a_200000091600_100000747449 [0,2,0,0,0,0|1,0,1]=4 9875 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000747449 [0,2,0,0,0,0|1,0,1]=4 9876 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000747449 [0,2,0,0,0,0|1,0,1]=4 9877 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000747449 [0,2,0,0,0,0|1,0,1]=4 9878 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000747449 [0,2,0,0,0,0|1,0,1]=4 9879 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000747449 [0,2,0,0,0,0|1,0,1]=4 9880 B18R2.10001 CO[C@H](C)CNc1ccc2cccc(c2n1)C 27a_100020591295_100012002297 [0,2,0,0,0,0|2,0,0]=4 9881 B18R2.10001 CO[C@H](C)CNc1ccc2cccc(c2n1)O 27a_100020591295_100010153751 [0,2,0,0,0,0|2,0,0]=4 9882 B18R2.10001 C[C@@H](CO)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000059175 [0,2,0,0,0,0|1,0,0]=3 9883 B18R2.10001 C[C@@H](CO)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100000059175 [0,2,0,0,0,0|2,0,0]=4 9884 B18R2.10001 C[C@@H](CO)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000059175 [0,2,0,0,0,0|2,0,0]=4 9885 B18R2.10001 C[C@@H](CO)CNc1ccc2occc(=O)c2c1 34a_100000088200_100000059175 [0,2,0,0,0,0|2,0,0]=4 9886 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000059175 [0,2,0,0,0,0|0,0,0]=2 9887 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000059175 [0,2,0,0,0,0|0,0,0]=2 9888 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)F 34a_100000091619_100000059175 [0,2,0,0,0,0|0,0,0]=2 9889 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)F 7a_100000091619_100000059175 [0,2,0,0,0,0|0,0,0]=2 9890 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)N 34a_100000034012_100000059175 [0,2,0,0,0,0|0,0,0]=2 9891 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)N 7a_100000034012_100000059175 [0,2,0,0,0,0|0,0,0]=2 9892 B18R2.10001 C[C@@H](CO)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000059175 [0,2,0,0,0,0|1,0,0]=3 9893 B18R2.10001 C[C@@H](CO)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000059175 [0,2,0,0,0,0|1,0,0]=3 9894 B18R2.10001 C[C@@H](CO)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000059175 [0,2,0,0,0,0|2,0,0]=4 9895 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000059175 [0,2,0,0,0,0|1,0,0]=3 9896 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000059175 [0,2,0,0,0,0|1,0,0]=3 9897 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000059175 [0,2,0,0,0,0|1,0,0]=3 9898 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000059175 [0,2,0,0,0,0|1,0,0]=3 9899 B18R2.10001 C[C@@H](CO)CSc1ccc2[nH]ccc(=O)c2c1 62a_100000059175_100000746092 [0,2,0,0,0,0|1,1,0]=4 9900 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2c1)N 62a_100000059175_100010090012 [0,2,0,0,0,0|0,1,0]=3 9901 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000059175 [0,2,0,0,0,0|0,1,0]=3 9902 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2c1)O 62a_100000059175_100010089991 [0,2,0,0,0,0|0,1,0]=3 9903 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2n1)F 62a_100000059175_100012017632 [0,2,0,0,0,0|1,1,0]=4 9904 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2n1)O 62a_100000059175_100000013812 [0,2,0,0,0,0|1,1,0]=4 9905 B18R2.10001 C[C@@H](CO)CSc1ccc2ccnc(c2c1)N 62a_100000059175_100012352255 [0,2,0,0,0,0|1,1,0]=4 9906 B18R2.10001 C[C@@H](CO)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100000059175 [0,2,0,0,0,0|1,1,0]=4 9907 B18R2.10001 C[C@@H](CO)CSc1ccc2ccnc(c2c1)O 62a_100000059175_100000010956 [0,2,0,0,0,0|1,1,0]=4 9908 B18R2.10001 C[C@@H](CO)CSc1ccc2cncc(c2c1)O 62a_100000059175_100010136424 [0,2,0,0,0,0|1,1,0]=4 9909 B18R2.10001 C[C@@H](CO)CSc1ccc2nccc(c2c1)Cl 62a_100000059175_100011310491 [0,2,0,0,0,0|1,1,0]=4 9910 B18R2.10001 C[C@@H](CO)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000059175 [0,2,0,0,0,0|1,1,0]=4 9911 B18R2.10001 C[C@@H](CO)CSc1ccc2nccc(c2c1)N 62a_100000059175_100011620571 [0,2,0,0,0,0|1,1,0]=4 9912 B18R2.10001 C[C@@H](CO)CSc1ccc2nccc(c2c1)N 62a_100011620571_100000059175 [0,2,0,0,0,0|1,1,0]=4 9913 B18R2.10001 C[C@@H](CO)CSc1ccc2occc(=O)c2c1 62a_100000059175_100009813387 [0,2,0,0,0,0|1,1,0]=4 9914 B18R2.10001 C[C@@H](CO)CSc1cnc2cccc(c2c1)N 62a_100000059175_100010264086 [0,2,0,0,0,0|1,1,0]=4 9915 B18R2.10001 C[C@@H](CO)CSc1cnc2cccc(c2c1)N 62a_100010264086_100000059175 [0,2,0,0,0,0|1,1,0]=4 9916 B18R2.10001 C[C@@H](CO)CSc1cnc2cccc(c2c1)O 62a_100000059175_200010153752 [0,2,0,0,0,0|1,1,0]=4 9917 B18R2.10001 Cc1cccc2c1cc(cc2)OCC(O)CO 34a_200000091600_100011219619 [0,2,0,0,0,0|1,0,0]=3 9918 B18R2.10001 Cc1cccc2c1cc(cc2)OCC(O)CO 7a_200000091600_100011219619 [0,2,0,0,0,0|1,0,0]=3 9919 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](C)CO 34a_200000091600_100000059175 [0,2,0,0,0,0|0,0,0]=2 9920 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](C)CO 7a_200000091600_100000059175 [0,2,0,0,0,0|0,0,0]=2 9921 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CF 34a_200000091600_100015614560 [0,2,0,0,0,0|1,0,0]=3 9922 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CF 7a_200000091600_100015614560 [0,2,0,0,0,0|1,0,0]=3 9923 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CO 34a_200000091600_100009815848 [0,2,0,0,0,0|1,0,0]=3 9924 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CO 7a_200000091600_100009815848 [0,2,0,0,0,0|1,0,0]=3 9925 B18R2.10001 Cc1cccc2c1cc(cc2)SCC(O)CO 62a_100011219619_100010089936 [0,2,0,0,0,0|1,1,0]=4 9926 B18R2.10001 Cc1cccc2c1cc(cc2)SC[C@@H](C)CO 62a_100000059175_100010089936 [0,2,0,0,0,0|0,1,0]=3 9927 B18R2.10001 Cc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100015614560_100010089936 [0,2,0,0,0,0|1,1,0]=4 9928 B18R2.10001 Cc1cccc2c1cc(cc2)SC[C@@H](O)CO 62a_100009815848_100010089936 [0,2,0,0,0,0|1,1,0]=4 9929 B18R2.10001 Cc1cccc2c1nc(cc2)NCC(C)CO 27a_100000744482_100012002297 [0,2,0,0,0,0|2,0,0]=4 9930 B18R2.10001 Cc1cccc2c1nc(cc2)SC[C@@H](C)CO 62a_100000059175_100012002297 [0,2,0,0,0,0|1,1,0]=4 9931 B18R2.10001 Cc1ccnc2c1cc(cc2)SC[C@@H](C)CO 62a_100000059175_100009817033 [0,2,0,0,0,0|1,1,0]=4 9932 B18R2.10001 Cc1ccnc2c1cc(cc2)SC[C@@H](C)CO 62a_100009817033_100000059175 [0,2,0,0,0,0|1,1,0]=4 9933 B18R2.10001 Cc1nccc2c1cc(cc2)SC[C@@H](C)CO 62a_100000059175_200010739692 [0,2,0,0,0,0|1,1,0]=4 9934 B18R2.10001 Cc1nccc2c1cc(cc2)SC[C@@H](C)CO 62a_200010739692_100000059175 [0,2,0,0,0,0|1,1,0]=4 9935 B18R2.10001 Nc1cccc2c1cc(cc2)OCC(O)CO 34a_100000034012_100011219619 [0,2,0,0,0,0|1,0,0]=3 9936 B18R2.10001 Nc1cccc2c1cc(cc2)OCC(O)CO 7a_100000034012_100011219619 [0,2,0,0,0,0|1,0,0]=3 9937 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CF 34a_100000034012_100015614560 [0,2,0,0,0,0|1,0,0]=3 9938 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CF 7a_100000034012_100015614560 [0,2,0,0,0,0|1,0,0]=3 9939 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CO 34a_100000034012_100009815848 [0,2,0,0,0,0|1,0,0]=3 9940 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CO 7a_100000034012_100009815848 [0,2,0,0,0,0|1,0,0]=3 9941 B18R2.10001 Nc1cccc2c1cc(cc2)SCC(O)CO 62a_100010090012_100011219619 [0,2,0,0,0,0|1,1,0]=4 9942 B18R2.10001 Nc1cccc2c1cc(cc2)SCC(O)CO 62a_100011219619_100010090012 [0,2,0,0,0,0|1,1,0]=4 9943 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100010090012_100015614560 [0,2,0,0,0,0|1,1,0]=4 9944 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100015614560_100010090012 [0,2,0,0,0,0|1,1,0]=4 9945 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CO 62a_100009815848_100010090012 [0,2,0,0,0,0|1,1,0]=4 9946 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CO 62a_100010090012_100009815848 [0,2,0,0,0,0|1,1,0]=4 9947 B18R2.10001 OCC(O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011219619 [0,2,0,0,0,0|2,0,0]=4 9948 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011219619 [0,2,0,0,0,0|1,0,0]=3 9949 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011219619 [0,2,0,0,0,0|1,0,0]=3 9950 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100011219619 [0,2,0,0,0,0|1,0,0]=3 9951 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100011219619 [0,2,0,0,0,0|1,0,0]=3 9952 B18R2.10001 OCC(O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011219619 [0,2,0,0,0,0|2,0,0]=4 9953 B18R2.10001 OCC(O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011219619 [0,2,0,0,0,0|2,0,0]=4 9954 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011219619 [0,2,0,0,0,0|2,0,0]=4 9955 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100011219619 [0,2,0,0,0,0|2,0,0]=4 9956 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011219619 [0,2,0,0,0,0|2,0,0]=4 9957 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100011219619 [0,2,0,0,0,0|2,0,0]=4 9958 B18R2.10001 OCC(O)CSc1ccc2cccc(c2c1)O 62a_100011219619_100010089991 [0,2,0,0,0,0|1,1,0]=4 9959 B18R2.10001 OC[C@H](O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100009815848 [0,2,0,0,0,0|2,0,0]=4 9960 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100009815848 [0,2,0,0,0,0|1,0,0]=3 9961 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100009815848 [0,2,0,0,0,0|1,0,0]=3 9962 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)F 34a_100000091619_100009815848 [0,2,0,0,0,0|1,0,0]=3 9963 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)F 7a_100000091619_100009815848 [0,2,0,0,0,0|1,0,0]=3 9964 B18R2.10001 OC[C@H](O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009815848 [0,2,0,0,0,0|2,0,0]=4 9965 B18R2.10001 OC[C@H](O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009815848 [0,2,0,0,0,0|2,0,0]=4 9966 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100009815848 [0,2,0,0,0,0|2,0,0]=4 9967 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100009815848 [0,2,0,0,0,0|2,0,0]=4 9968 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100009815848 [0,2,0,0,0,0|2,0,0]=4 9969 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100009815848 [0,2,0,0,0,0|2,0,0]=4 9970 B18R2.10001 OC[C@H](O)CSc1ccc2cccc(c2c1)O 62a_100009815848_100010089991 [0,2,0,0,0,0|1,1,0]=4 9971 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)Br 34a_100010169565_100015614560 [0,2,0,0,0,0|1,0,0]=3 9972 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)Br 7a_100010169565_100015614560 [0,2,0,0,0,0|1,0,0]=3 9973 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)F 34a_100000091619_100015614560 [0,2,0,0,0,0|1,0,0]=3 9974 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)F 7a_100000091619_100015614560 [0,2,0,0,0,0|1,0,0]=3 9975 B18R2.10001 O[C@@H](CF)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100015614560 [0,2,0,0,0,0|2,0,0]=4 9976 B18R2.10001 O[C@@H](CF)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100015614560 [0,2,0,0,0,0|2,0,0]=4 9977 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Br 34a_100010204251_100015614560 [0,2,0,0,0,0|2,0,0]=4 9978 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Br 7a_100010204251_100015614560 [0,2,0,0,0,0|2,0,0]=4 9979 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100015614560 [0,2,0,0,0,0|2,0,0]=4 9980 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100015614560 [0,2,0,0,0,0|2,0,0]=4 9981 B18R2.10001 Oc1cccc2c1cc(cc2)NC[C@@H](O)CF 34a_100132313934_100015614560 [0,2,0,0,0,0|2,0,0]=4 9982 B18R2.10001 Oc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100015614560_100010089991 [0,2,0,0,0,0|1,1,0]=4 9983 B18R2.10151 C=CC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000730141 [0,2,0,0,0,0|1,0,1]=4 9984 B18R2.10151 C=CC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000730141 [0,2,0,0,0,0|1,0,1]=4 9985 B18R2.10151 CC(CO)CNc1cc(c2cnccc2c1)F 27a_100000744482_100011068762 [0,2,0,0,0,0|2,0,0]=4 9986 B18R2.10151 CCC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000747405 [0,2,0,0,0,0|1,0,1]=4 9987 B18R2.10151 CCC(C)CNc1cc(c2ccccc2n1)C 27a_100020588543_100000184993 [0,2,0,0,0,0|2,0,0]=4 9988 B18R2.10151 CCC(C)CNc1cc(c2cnccc2c1)F 27a_100020588543_100011068762 [0,2,0,0,0,0|2,0,0]=4 9989 B18R2.10151 CCC(C)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000748023 [0,2,0,0,0,0|2,0,0]=4 9990 B18R2.10151 CCC(C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000748023 [0,2,0,0,0,0|2,0,0]=4 9991 B18R2.10151 CCC(C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000748023 [0,2,0,0,0,0|1,0,0]=3 9992 B18R2.10151 CCC(C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000748023 [0,2,0,0,0,0|1,0,0]=3 9993 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000748023 [0,2,0,0,0,0|1,0,0]=3 9994 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000748023 [0,2,0,0,0,0|1,0,0]=3 9995 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)F 34a_100009888031_100000748023 [0,2,0,0,0,0|1,0,0]=3 9996 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)F 7a_100009888031_100000748023 [0,2,0,0,0,0|1,0,0]=3 9997 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)N 34a_100000083691_100000748023 [0,2,0,0,0,0|1,0,0]=3 9998 B18R2.10151 CCC(C)CSc1cc(=O)c2ccccc2[nH]1 62a_100000748023_100000090176 [0,2,0,0,0,0|1,1,0]=4 9999 B18R2.10151 CCC(C)CSc1cc(c2ccccc2c1)N 62a_100000748023_100010171453 [0,2,0,0,0,0|0,1,0]=3 10000 B18R2.10151 CCC(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000748023 [0,2,0,0,0,0|0,1,0]=3 10001 B18R2.10151 CCC(C)CSc1cc(c2ccccc2c1)O 62a_100000748023_100010089979 [0,2,0,0,0,0|0,1,0]=3 10002 B18R2.10151 CCC(C)CSc1cc(c2ccccc2n1)C 62a_100000748023_100000184993 [0,2,0,0,0,0|1,1,0]=4 10003 B18R2.10151 CCC(C)CSc1cc(c2ccccc2n1)C 62a_100012354972_100000748023 [0,2,0,0,0,0|1,1,0]=4 10004 B18R2.10151 CCC(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000748023 [0,2,0,0,0,0|1,1,0]=4 10005 B18R2.10151 CCC(C)CSc1cc(c2cccnc2c1)N 62a_100000748023_200010263263 [0,2,0,0,0,0|1,1,0]=4 10006 B18R2.10151 CCC(C)CSc1cc(c2cccnc2c1)N 62a_200010263263_100000748023 [0,2,0,0,0,0|1,1,0]=4 10007 B18R2.10151 CCC(C)CSc1cc(c2cnccc2c1)F 62a_100000748023_100011068762 [0,2,0,0,0,0|1,1,0]=4 10008 B18R2.10151 CCC(C)CSc1cc(c2cnccc2c1)F 62a_100011068762_100000748023 [0,2,0,0,0,0|1,1,0]=4 10009 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)C 62a_100000748023_100010130319 [0,2,0,0,0,0|1,1,0]=4 10010 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)F 62a_100000748023_100010234705 [0,2,0,0,0,0|1,1,0]=4 10011 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)F 62a_100010234705_100000748023 [0,2,0,0,0,0|1,1,0]=4 10012 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)N 62a_100000748023_100009814519 [0,2,0,0,0,0|1,1,0]=4 10013 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)O 62a_100000748023_100010248853 [0,2,0,0,0,0|1,1,0]=4 10014 B18R2.10151 CCC(C)CSc1cc2ccccc2c(=O)[nH]1 62a_100000748023_200015811170 [0,2,0,0,0,0|1,1,0]=4 10015 B18R2.10151 CCC(C)CSc1cc2ccccc2c(n1)N 62a_100000748023_100009957331 [0,2,0,0,0,0|1,1,0]=4 10016 B18R2.10151 CCC(C)CSc1cc2ccccc2c(n1)N 62a_100009957331_100000748023 [0,2,0,0,0,0|1,1,0]=4 10017 B18R2.10151 CCC(O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011218378 [0,2,0,0,0,0|2,0,0]=4 10018 B18R2.10151 CCC(O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100011218378 [0,2,0,0,0,0|2,0,0]=4 10019 B18R2.10151 CCC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011218378 [0,2,0,0,0,0|1,0,0]=3 10020 B18R2.10151 CCC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011218378 [0,2,0,0,0,0|1,0,0]=3 10021 B18R2.10151 CCC(O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011218378 [0,2,0,0,0,0|2,0,0]=4 10022 B18R2.10151 CCC(O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100011218378 [0,2,0,0,0,0|2,0,0]=4 10023 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011218378 [0,2,0,0,0,0|2,0,0]=4 10024 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100011218378 [0,2,0,0,0,0|2,0,0]=4 10025 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)F 34a_100009888031_100011218378 [0,2,0,0,0,0|2,0,0]=4 10026 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)F 7a_100009888031_100011218378 [0,2,0,0,0,0|2,0,0]=4 10027 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)N 34a_100000083691_100011218378 [0,2,0,0,0,0|2,0,0]=4 10028 B18R2.10151 CCC(O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100011218378 [0,2,0,0,0,0|1,1,0]=4 10029 B18R2.10151 CCC(O)CSc1cc(c2ccccc2c1)N 62a_100011218378_100010171453 [0,2,0,0,0,0|1,1,0]=4 10030 B18R2.10151 CCC(O)CSc1cc(c2ccccc2c1)O 62a_100011218378_100010089979 [0,2,0,0,0,0|1,1,0]=4 10031 B18R2.10151 CC[C@H](C)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100009816398 [0,2,0,0,0,0|2,0,0]=4 10032 B18R2.10151 CC[C@H](C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100009816398 [0,2,0,0,0,0|2,0,0]=4 10033 B18R2.10151 CC[C@H](C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100009816398 [0,2,0,0,0,0|1,0,0]=3 10034 B18R2.10151 CC[C@H](C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100009816398 [0,2,0,0,0,0|1,0,0]=3 10035 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100009816398 [0,2,0,0,0,0|1,0,0]=3 10036 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100009816398 [0,2,0,0,0,0|1,0,0]=3 10037 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)F 34a_100009888031_100009816398 [0,2,0,0,0,0|1,0,0]=3 10038 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)F 7a_100009888031_100009816398 [0,2,0,0,0,0|1,0,0]=3 10039 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)N 34a_100000083691_100009816398 [0,2,0,0,0,0|1,0,0]=3 10040 B18R2.10151 CC[C@H](C)CSc1cc(=O)c2ccccc2[nH]1 62a_100009816398_100000090176 [0,2,0,0,0,0|1,1,0]=4 10041 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2c1)N 62a_100009816398_100010171453 [0,2,0,0,0,0|0,1,0]=3 10042 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100009816398 [0,2,0,0,0,0|0,1,0]=3 10043 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2c1)O 62a_100009816398_100010089979 [0,2,0,0,0,0|0,1,0]=3 10044 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2n1)C 62a_100009816398_100000184993 [0,2,0,0,0,0|1,1,0]=4 10045 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2n1)C 62a_100012354972_100009816398 [0,2,0,0,0,0|1,1,0]=4 10046 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100009816398 [0,2,0,0,0,0|1,1,0]=4 10047 B18R2.10151 CC[C@H](C)CSc1cc(c2cccnc2c1)N 62a_100009816398_200010263263 [0,2,0,0,0,0|1,1,0]=4 10048 B18R2.10151 CC[C@H](C)CSc1cc(c2cccnc2c1)N 62a_200010263263_100009816398 [0,2,0,0,0,0|1,1,0]=4 10049 B18R2.10151 CC[C@H](C)CSc1cc(c2cnccc2c1)F 62a_100009816398_100011068762 [0,2,0,0,0,0|1,1,0]=4 10050 B18R2.10151 CC[C@H](C)CSc1cc(c2cnccc2c1)F 62a_100011068762_100009816398 [0,2,0,0,0,0|1,1,0]=4 10051 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)C 62a_100009816398_100010130319 [0,2,0,0,0,0|1,1,0]=4 10052 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)F 62a_100009816398_100010234705 [0,2,0,0,0,0|1,1,0]=4 10053 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)F 62a_100010234705_100009816398 [0,2,0,0,0,0|1,1,0]=4 10054 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)N 62a_100009816398_100009814519 [0,2,0,0,0,0|1,1,0]=4 10055 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)O 62a_100009816398_100010248853 [0,2,0,0,0,0|1,1,0]=4 10056 B18R2.10151 CC[C@H](C)CSc1cc2ccccc2c(=O)[nH]1 62a_100009816398_200015811170 [0,2,0,0,0,0|1,1,0]=4 10057 B18R2.10151 CC[C@H](C)CSc1cc2ccccc2c(n1)N 62a_100009816398_100009957331 [0,2,0,0,0,0|1,1,0]=4 10058 B18R2.10151 CC[C@H](C)CSc1cc2ccccc2c(n1)N 62a_100009957331_100009816398 [0,2,0,0,0,0|1,1,0]=4 10059 B18R2.10151 CNC(=O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000183359 [0,2,0,0,0,0|1,0,1]=4 10060 B18R2.10151 CNC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000183359 [0,2,0,0,0,0|1,0,1]=4 10061 B18R2.10151 COC(=O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000747449 [0,2,0,0,0,0|1,0,1]=4 10062 B18R2.10151 COC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000747449 [0,2,0,0,0,0|1,0,1]=4 10063 B18R2.10151 CO[C@H](C)CNc1cc(c2ccccc2n1)C 27a_100020591295_100000184993 [0,2,0,0,0,0|2,0,0]=4 10064 B18R2.10151 CO[C@H](C)CNc1cc(c2cnccc2c1)F 27a_100020591295_100011068762 [0,2,0,0,0,0|2,0,0]=4 10065 B18R2.10151 C[C@@H](CO)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100000059175 [0,2,0,0,0,0|1,0,0]=3 10066 B18R2.10151 C[C@@H](CO)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000059175 [0,2,0,0,0,0|1,0,0]=3 10067 B18R2.10151 C[C@@H](CO)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000059175 [0,2,0,0,0,0|2,0,0]=4 10068 B18R2.10151 C[C@@H](CO)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000059175 [0,2,0,0,0,0|2,0,0]=4 10069 B18R2.10151 C[C@@H](CO)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000059175 [0,2,0,0,0,0|0,0,0]=2 10070 B18R2.10151 C[C@@H](CO)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000059175 [0,2,0,0,0,0|0,0,0]=2 10071 B18R2.10151 C[C@@H](CO)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000059175 [0,2,0,0,0,0|1,0,0]=3 10072 B18R2.10151 C[C@@H](CO)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000059175 [0,2,0,0,0,0|1,0,0]=3 10073 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000059175 [0,2,0,0,0,0|1,0,0]=3 10074 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000059175 [0,2,0,0,0,0|1,0,0]=3 10075 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)F 34a_100009888031_100000059175 [0,2,0,0,0,0|1,0,0]=3 10076 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)F 7a_100009888031_100000059175 [0,2,0,0,0,0|1,0,0]=3 10077 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)N 34a_100000083691_100000059175 [0,2,0,0,0,0|1,0,0]=3 10078 B18R2.10151 C[C@@H](CO)CSc1cc(=O)c2ccccc2[nH]1 62a_100000059175_100000090176 [0,2,0,0,0,0|1,1,0]=4 10079 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2c1)N 62a_100000059175_100010171453 [0,2,0,0,0,0|0,1,0]=3 10080 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000059175 [0,2,0,0,0,0|0,1,0]=3 10081 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2c1)O 62a_100000059175_100010089979 [0,2,0,0,0,0|0,1,0]=3 10082 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000059175 [0,2,0,0,0,0|1,1,0]=4 10083 B18R2.10151 C[C@@H](CO)CSc1cc(c2cccnc2c1)N 62a_100000059175_200010263263 [0,2,0,0,0,0|1,1,0]=4 10084 B18R2.10151 C[C@@H](CO)CSc1cc(c2cccnc2c1)N 62a_200010263263_100000059175 [0,2,0,0,0,0|1,1,0]=4 10085 B18R2.10151 C[C@@H](CO)CSc1cc(c2cnccc2c1)F 62a_100000059175_100011068762 [0,2,0,0,0,0|1,1,0]=4 10086 B18R2.10151 C[C@@H](CO)CSc1cc(c2cnccc2c1)F 62a_100011068762_100000059175 [0,2,0,0,0,0|1,1,0]=4 10087 B18R2.10151 C[C@@H](CO)CSc1cc(c2ncccc2c1)Cl 62a_100000059175_200010369337 [0,2,0,0,0,0|1,1,0]=4 10088 B18R2.10151 C[C@@H](CO)CSc1cc(c2ncccc2c1)F 62a_100000059175_100010234705 [0,2,0,0,0,0|1,1,0]=4 10089 B18R2.10151 C[C@@H](CO)CSc1cc(c2ncccc2c1)F 62a_100010234705_100000059175 [0,2,0,0,0,0|1,1,0]=4 10090 B18R2.10151 C[C@@H](CO)CSc1cc(c2ncccc2c1)N 62a_100000059175_100009814519 [0,2,0,0,0,0|1,1,0]=4 10091 B18R2.10151 C[C@@H](CO)CSc1cc(c2ncccc2c1)O 62a_100000059175_100010248853 [0,2,0,0,0,0|1,1,0]=4 10092 B18R2.10151 C[C@@H](CO)CSc1cc2ccccc2c(=O)[nH]1 62a_100000059175_200015811170 [0,2,0,0,0,0|1,1,0]=4 10093 B18R2.10151 C[C@@H](CO)CSc1cc2ccccc2c(n1)N 62a_100000059175_100009957331 [0,2,0,0,0,0|1,1,0]=4 10094 B18R2.10151 C[C@@H](CO)CSc1cc2ccccc2c(n1)N 62a_100009957331_100000059175 [0,2,0,0,0,0|1,1,0]=4 10095 B18R2.10151 Cc1cc(cc2c1nccc2)SC[C@@H](C)CO 62a_100000059175_100010130319 [0,2,0,0,0,0|1,1,0]=4 10096 B18R2.10151 Cc1cc(nc2c1cccc2)NCC(C)CO 27a_100000744482_100000184993 [0,2,0,0,0,0|2,0,0]=4 10097 B18R2.10151 Cc1cc(nc2c1cccc2)SC[C@@H](C)CO 62a_100000059175_100000184993 [0,2,0,0,0,0|1,1,0]=4 10098 B18R2.10151 Cc1cc(nc2c1cccc2)SC[C@@H](C)CO 62a_100012354972_100000059175 [0,2,0,0,0,0|1,1,0]=4 10099 B18R2.10151 Nc1cc(cc2c1cccc2)SCC(O)CO 62a_100010171453_100011219619 [0,2,0,0,0,0|1,1,0]=4 10100 B18R2.10151 Nc1cc(cc2c1cccc2)SCC(O)CO 62a_100011219619_100010171453 [0,2,0,0,0,0|1,1,0]=4 10101 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CF 62a_100010171453_100015614560 [0,2,0,0,0,0|1,1,0]=4 10102 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010171453 [0,2,0,0,0,0|1,1,0]=4 10103 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100010171453 [0,2,0,0,0,0|1,1,0]=4 10104 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CO 62a_100010171453_100009815848 [0,2,0,0,0,0|1,1,0]=4 10105 B18R2.10151 Nc1cc(cc2c1nccc2)OCC(O)CO 34a_100000083691_100011219619 [0,2,0,0,0,0|2,0,0]=4 10106 B18R2.10151 Nc1cc(cc2c1nccc2)OC[C@@H](O)CF 34a_100000083691_100015614560 [0,2,0,0,0,0|2,0,0]=4 10107 B18R2.10151 Nc1cc(cc2c1nccc2)OC[C@@H](O)CO 34a_100000083691_100009815848 [0,2,0,0,0,0|2,0,0]=4 10108 B18R2.10151 OCC(O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011219619 [0,2,0,0,0,0|2,0,0]=4 10109 B18R2.10151 OCC(O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100011219619 [0,2,0,0,0,0|2,0,0]=4 10110 B18R2.10151 OCC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011219619 [0,2,0,0,0,0|1,0,0]=3 10111 B18R2.10151 OCC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011219619 [0,2,0,0,0,0|1,0,0]=3 10112 B18R2.10151 OCC(O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011219619 [0,2,0,0,0,0|2,0,0]=4 10113 B18R2.10151 OCC(O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100011219619 [0,2,0,0,0,0|2,0,0]=4 10114 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011219619 [0,2,0,0,0,0|2,0,0]=4 10115 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100011219619 [0,2,0,0,0,0|2,0,0]=4 10116 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)F 34a_100009888031_100011219619 [0,2,0,0,0,0|2,0,0]=4 10117 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)F 7a_100009888031_100011219619 [0,2,0,0,0,0|2,0,0]=4 10118 B18R2.10151 OCC(O)CSc1cc(c2ccccc2c1)O 62a_100011219619_100010089979 [0,2,0,0,0,0|1,1,0]=4 10119 B18R2.10151 OC[C@H](O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100009815848 [0,2,0,0,0,0|2,0,0]=4 10120 B18R2.10151 OC[C@H](O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100009815848 [0,2,0,0,0,0|2,0,0]=4 10121 B18R2.10151 OC[C@H](O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100009815848 [0,2,0,0,0,0|1,0,0]=3 10122 B18R2.10151 OC[C@H](O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100009815848 [0,2,0,0,0,0|1,0,0]=3 10123 B18R2.10151 OC[C@H](O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100009815848 [0,2,0,0,0,0|2,0,0]=4 10124 B18R2.10151 OC[C@H](O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100009815848 [0,2,0,0,0,0|2,0,0]=4 10125 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100009815848 [0,2,0,0,0,0|2,0,0]=4 10126 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100009815848 [0,2,0,0,0,0|2,0,0]=4 10127 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)F 34a_100009888031_100009815848 [0,2,0,0,0,0|2,0,0]=4 10128 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)F 7a_100009888031_100009815848 [0,2,0,0,0,0|2,0,0]=4 10129 B18R2.10151 OC[C@H](O)CSc1cc(c2ccccc2c1)O 62a_100009815848_100010089979 [0,2,0,0,0,0|1,1,0]=4 10130 B18R2.10151 O[C@@H](CF)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100015614560 [0,2,0,0,0,0|2,0,0]=4 10131 B18R2.10151 O[C@@H](CF)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100015614560 [0,2,0,0,0,0|2,0,0]=4 10132 B18R2.10151 O[C@@H](CF)COc1cc(c2ccccc2c1)Br 34a_100010001680_100015614560 [0,2,0,0,0,0|1,0,0]=3 10133 B18R2.10151 O[C@@H](CF)COc1cc(c2ccccc2c1)Br 7a_100010001680_100015614560 [0,2,0,0,0,0|1,0,0]=3 10134 B18R2.10151 O[C@@H](CF)COc1cc(c2cnccc2c1)Br 34a_100011009069_100015614560 [0,2,0,0,0,0|2,0,0]=4 10135 B18R2.10151 O[C@@H](CF)COc1cc(c2cnccc2c1)Br 7a_100011009069_100015614560 [0,2,0,0,0,0|2,0,0]=4 10136 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100015614560 [0,2,0,0,0,0|2,0,0]=4 10137 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100015614560 [0,2,0,0,0,0|2,0,0]=4 10138 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)F 34a_100009888031_100015614560 [0,2,0,0,0,0|2,0,0]=4 10139 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)F 7a_100009888031_100015614560 [0,2,0,0,0,0|2,0,0]=4 10140 B18R2.10151 Oc1cc(cc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010089979 [0,2,0,0,0,0|1,1,0]=4 10141 B18R2.30019 CC(CO)N(C)Cc1ccc2ccccc2c1 2230a_100000185194_100012180447 [0,2,0,0,0,0|2,0,0]=4 10142 B18R2.30019 CC(CO)N(C)Cc1ccc2ccccc2c1 2230a_100000693034_100011216711 [0,2,0,0,0,0|2,0,0]=4 10143 B18R2.30019 CC(CO)N(C)Cc1ccc2ccccc2c1 269982a_100000693034_100011216711 [0,2,0,0,0,0|2,0,0]=4 10144 B18R2.30019 CC(CO)N(C)Cc1ccc2ccccc2c1 270004a_100000693034_100000211584 [0,2,0,0,0,0|2,0,0]=4 10145 B18R2.30019 CC(N[13CH3])C(=O)Nc1ccc2ccccc2c1 2230a_200000253805_200025704644 [0,2,0,0,0,0|1,0,1]=4 10146 B18R2.30019 CC(N[13CH3])C(=O)Nc1ccc2ccccc2c1 34a_200000253805_200025704644 [0,2,0,0,0,0|1,0,1]=4 10147 B18R2.30019 CC(S[13CH3])C(=O)Nc1ccc2ccccc2c1 62a_100000184460_200025704644 [0,2,0,0,0,0|1,0,1]=4 10148 B18R2.30019 CC(S[13CH3])C(=O)Nc1ccc2ccccc2c1 62a_200025704644_100000184460 [0,2,0,0,0,0|1,0,1]=4 10149 B18R2.30019 CCC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000742827 [0,2,0,0,0,0|1,0,1]=4 10150 B18R2.30019 CCC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000758301 [0,2,0,0,0,0|1,0,1]=4 10151 B18R2.30019 CCC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100011192722_100011216711 [0,2,0,0,0,0|1,0,1]=4 10152 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 10153 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 10154 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 10155 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 10156 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000758301 [0,2,0,0,0,0|2,0,0]=4 10157 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 2230a_100000741768_100011216711 [0,2,0,0,0,0|2,0,0]=4 10158 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000758301 [0,2,0,0,0,0|2,0,0]=4 10159 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 269982a_100000741768_100011216711 [0,2,0,0,0,0|2,0,0]=4 10160 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 270004a_100000741768_100000211584 [0,2,0,0,0,0|2,0,0]=4 10161 B18R2.30019 CNC(=O)C(C)Oc1ccc2ccccc2c1 34a_100000185828_100000731044 [0,2,0,0,0,0|1,0,1]=4 10162 B18R2.30019 CNC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000209862 [0,2,0,0,0,0|1,0,1]=4 10163 B18R2.30019 CNC(=O)C(F)Oc1ccc2ccccc2c1 34a_100000185828_100009813575 [0,2,0,0,0,0|1,0,1]=4 10164 B18R2.30019 CNC(=O)C(F)Oc1ccc2ccccc2c1 7a_100000185828_100009813575 [0,2,0,0,0,0|1,0,1]=4 10165 B18R2.30019 CNC(C)C(=O)Nc1ccc2ccccc2c1 2230a_106832991635_100000184460 [0,2,0,0,0,0|1,0,1]=4 10166 B18R2.30019 CNC(C)C(=O)Nc1ccc2ccccc2c1 2230a_200000253805_200000210301 [0,2,0,0,0,0|1,0,1]=4 10167 B18R2.30019 CNC(C)C(=O)Nc1ccc2ccccc2c1 34a_200000253805_200000210301 [0,2,0,0,0,0|1,0,1]=4 10168 B18R2.30019 CNC(C)C(=O)Nc1ccc2ccccc2c1 7a_106832991635_100000184460 [0,2,0,0,0,0|1,0,1]=4 10169 B18R2.30019 COC(=O)C(C)Oc1ccc2ccccc2c1 34a_100000185828_100000211248 [0,2,0,0,0,0|1,0,1]=4 10170 B18R2.30019 COC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000211248 [0,2,0,0,0,0|1,0,1]=4 10171 B18R2.30019 COC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000743197_100011216711 [0,2,0,0,0,0|1,0,1]=4 10172 B18R2.30019 COC(C)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000743197 [0,2,0,0,0,0|1,0,1]=4 10173 B18R2.30019 COC(C)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000743197 [0,2,0,0,0,0|1,0,1]=4 10174 B18R2.30019 COC(C)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000743197 [0,2,0,0,0,0|1,0,1]=4 10175 B18R2.30019 COC(C)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000743197 [0,2,0,0,0,0|1,0,1]=4 10176 B18R2.30019 COC(C)N(C)Cc1ccc2ccccc2c1 269982a_100000185194_100009879195 [0,2,0,0,0,0|2,0,0]=4 10177 B18R2.30019 CSC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000149566_100011216711 [0,2,0,0,0,0|1,0,1]=4 10178 B18R2.30019 CSC(C)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000149566 [0,2,0,0,0,0|1,0,1]=4 10179 B18R2.30019 CSC(C)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000149566 [0,2,0,0,0,0|1,0,1]=4 10180 B18R2.30019 CSC(C)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000149566 [0,2,0,0,0,0|1,0,1]=4 10181 B18R2.30019 CSC(C)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000149566 [0,2,0,0,0,0|1,0,1]=4 10182 B18R2.30019 CSC(C)C(=O)Nc1ccc2ccccc2c1 62a_100000184460_200000210301 [0,2,0,0,0,0|1,0,1]=4 10183 B18R2.30019 CSC(C)C(=O)Nc1ccc2ccccc2c1 62a_200000210301_100000184460 [0,2,0,0,0,0|1,0,1]=4 10184 B18R2.30019 C[C@H](CO)N(C)Cc1ccc2ccccc2c1 269982a_100000185194_100016084084 [0,2,0,0,0,0|2,0,0]=4 10185 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100000730141 [0,2,0,0,0,0|1,0,1]=4 10186 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100000730141 [0,2,0,0,0,0|1,0,1]=4 10187 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1C 34a_100000091601_100000730141 [0,2,0,0,0,0|1,0,1]=4 10188 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1C 7a_100000091601_100000730141 [0,2,0,0,0,0|1,0,1]=4 10189 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1N 34a_106744474703_100000730141 [0,2,0,0,0,0|1,0,1]=4 10190 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1N 7a_106744474703_100000730141 [0,2,0,0,0,0|1,0,1]=4 10191 B18R2.95330 CCC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000747405 [0,2,0,0,0,0|1,0,1]=4 10192 B18R2.95330 CCC(=O)COc1cc2ccccc2cc1C 7a_100000091601_100000747405 [0,2,0,0,0,0|1,0,1]=4 10193 B18R2.95330 CCC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000747405 [0,2,0,0,0,0|1,0,1]=4 10194 B18R2.95330 CCC(C)CNc1nc2ccccc2cc1C 27a_100020588543_100000751756 [0,2,0,0,0,0|2,0,0]=4 10195 B18R2.95330 CCC(C)COc1cc2ccccc2cc1C 34a_100000091601_100000748023 [0,2,0,0,0,0|0,0,0]=2 10196 B18R2.95330 CCC(C)COc1cc2ccccc2cc1C 7a_100000091601_100000748023 [0,2,0,0,0,0|0,0,0]=2 10197 B18R2.95330 CCC(C)COc1cc2ccccc2cc1N 34a_106744474703_100000748023 [0,2,0,0,0,0|0,0,0]=2 10198 B18R2.95330 CCC(C)COc1cc2ccccc2cc1N 7a_106744474703_100000748023 [0,2,0,0,0,0|0,0,0]=2 10199 B18R2.95330 CCC(C)COc1cc2ccccc2nc1C 34a_200000079175_100000748023 [0,2,0,0,0,0|1,0,0]=3 10200 B18R2.95330 CCC(C)COc1cc2ccccc2nc1C 7a_200000079175_100000748023 [0,2,0,0,0,0|1,0,0]=3 10201 B18R2.95330 CCC(C)COc1cc2ccccc2nc1Cl 34a_200000100762_100000748023 [0,2,0,0,0,0|1,0,0]=3 10202 B18R2.95330 CCC(C)COc1cc2ccccc2nc1Cl 7a_200000100762_100000748023 [0,2,0,0,0,0|1,0,0]=3 10203 B18R2.95330 CCC(C)COc1cc2ccccc2oc1=O 7a_100000061252_100000748023 [0,2,0,0,0,0|1,0,0]=3 10204 B18R2.95330 CCC(C)COc1cc2cccnc2cc1Br 34a_200010153759_100000748023 [0,2,0,0,0,0|1,0,0]=3 10205 B18R2.95330 CCC(C)COc1cc2cccnc2cc1Br 7a_200010153759_100000748023 [0,2,0,0,0,0|1,0,0]=3 10206 B18R2.95330 CCC(C)CSc1cc2ccccc2cc1N 62a_100000748023_100009991566 [0,2,0,0,0,0|0,1,0]=3 10207 B18R2.95330 CCC(C)CSc1cc2ccccc2cc1N 62a_100009991566_100000748023 [0,2,0,0,0,0|0,1,0]=3 10208 B18R2.95330 CCC(C)CSc1cc2ccccc2cc1O 62a_100000748023_100009817189 [0,2,0,0,0,0|0,1,0]=3 10209 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1F 62a_100000748023_100011158909 [0,2,0,0,0,0|1,1,0]=4 10210 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1F 62a_100011158909_100000748023 [0,2,0,0,0,0|1,1,0]=4 10211 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1N 62a_100010135404_100000748023 [0,2,0,0,0,0|1,1,0]=4 10212 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1O 62a_100000748023_200009820883 [0,2,0,0,0,0|1,1,0]=4 10213 B18R2.95330 CCC(C)CSc1cc2ccccc2oc1=O 62a_100000748023_200000187772 [0,2,0,0,0,0|1,1,0]=4 10214 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1C 62a_100000748023_100010137429 [0,2,0,0,0,0|1,1,0]=4 10215 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1C 62a_100010137429_100000748023 [0,2,0,0,0,0|1,1,0]=4 10216 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1F 62a_100000748023_100009854028 [0,2,0,0,0,0|1,1,0]=4 10217 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1F 62a_100009854028_100000748023 [0,2,0,0,0,0|1,1,0]=4 10218 B18R2.95330 CCC(C)CSc1cc2ccncc2cc1F 62a_100000748023_100011105921 [0,2,0,0,0,0|1,1,0]=4 10219 B18R2.95330 CCC(C)CSc1cc2ccncc2cc1F 62a_100011105921_100000748023 [0,2,0,0,0,0|1,1,0]=4 10220 B18R2.95330 CCC(C)CSc1cc2cnccc2cc1F 62a_100000748023_100010244713 [0,2,0,0,0,0|1,1,0]=4 10221 B18R2.95330 CCC(C)CSc1cc2cnccc2cc1F 62a_100010244713_100000748023 [0,2,0,0,0,0|1,1,0]=4 10222 B18R2.95330 CCC(C)CSc1cc2ncccc2cc1O 62a_100000748023_200010153759 [0,2,0,0,0,0|1,1,0]=4 10223 B18R2.95330 CCC(C)CSc1nc2ccccc2cc1C 62a_100000748023_100000751756 [0,2,0,0,0,0|1,1,0]=4 10224 B18R2.95330 CCC(C)CSc1nc2ccccc2cc1O 62a_100000748023_200000100762 [0,2,0,0,0,0|1,1,0]=4 10225 B18R2.95330 CCC(O)CNc1cc2ccccc2cc1Br 34a_100009991566_100011218378 [0,2,0,0,0,0|2,0,0]=4 10226 B18R2.95330 CCC(O)CNc1cc2ccccc2cc1Br 7a_100009991566_100011218378 [0,2,0,0,0,0|2,0,0]=4 10227 B18R2.95330 CCC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100011218378 [0,2,0,0,0,0|1,0,0]=3 10228 B18R2.95330 CCC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100011218378 [0,2,0,0,0,0|1,0,0]=3 10229 B18R2.95330 CCC(O)COc1cc2ccccc2cc1C 34a_100000091601_100011218378 [0,2,0,0,0,0|1,0,0]=3 10230 B18R2.95330 CCC(O)COc1cc2ccccc2cc1C 7a_100000091601_100011218378 [0,2,0,0,0,0|1,0,0]=3 10231 B18R2.95330 CCC(O)COc1cc2ccccc2cc1N 34a_106744474703_100011218378 [0,2,0,0,0,0|1,0,0]=3 10232 B18R2.95330 CCC(O)COc1cc2ccccc2cc1N 7a_106744474703_100011218378 [0,2,0,0,0,0|1,0,0]=3 10233 B18R2.95330 CCC(O)COc1cc2ccccc2nc1C 34a_200000079175_100011218378 [0,2,0,0,0,0|2,0,0]=4 10234 B18R2.95330 CCC(O)COc1cc2ccccc2nc1C 7a_200000079175_100011218378 [0,2,0,0,0,0|2,0,0]=4 10235 B18R2.95330 CCC(O)COc1cc2ccccc2nc1Cl 34a_200000100762_100011218378 [0,2,0,0,0,0|2,0,0]=4 10236 B18R2.95330 CCC(O)COc1cc2ccccc2nc1Cl 7a_200000100762_100011218378 [0,2,0,0,0,0|2,0,0]=4 10237 B18R2.95330 CCC(O)COc1cc2ccccc2oc1=O 7a_100000061252_100011218378 [0,2,0,0,0,0|2,0,0]=4 10238 B18R2.95330 CCC(O)COc1cc2cccnc2cc1Br 34a_200010153759_100011218378 [0,2,0,0,0,0|2,0,0]=4 10239 B18R2.95330 CCC(O)COc1cc2cccnc2cc1Br 7a_200010153759_100011218378 [0,2,0,0,0,0|2,0,0]=4 10240 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Br 62a_100011218378_200010169544 [0,2,0,0,0,0|1,1,0]=4 10241 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Br 62a_200010169544_100011218378 [0,2,0,0,0,0|1,1,0]=4 10242 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100011218378 [0,2,0,0,0,0|1,1,0]=4 10243 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Cl 62a_100011218378_100010152806 [0,2,0,0,0,0|1,1,0]=4 10244 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1N 62a_100009991566_100011218378 [0,2,0,0,0,0|1,1,0]=4 10245 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1N 62a_100011218378_100009991566 [0,2,0,0,0,0|1,1,0]=4 10246 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1O 62a_100011218378_100009817189 [0,2,0,0,0,0|1,1,0]=4 10247 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1C 34a_100000091601_100009816398 [0,2,0,0,0,0|0,0,0]=2 10248 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1C 7a_100000091601_100009816398 [0,2,0,0,0,0|0,0,0]=2 10249 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1N 34a_106744474703_100009816398 [0,2,0,0,0,0|0,0,0]=2 10250 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1N 7a_106744474703_100009816398 [0,2,0,0,0,0|0,0,0]=2 10251 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1C 34a_200000079175_100009816398 [0,2,0,0,0,0|1,0,0]=3 10252 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1C 7a_200000079175_100009816398 [0,2,0,0,0,0|1,0,0]=3 10253 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1Cl 34a_200000100762_100009816398 [0,2,0,0,0,0|1,0,0]=3 10254 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1Cl 7a_200000100762_100009816398 [0,2,0,0,0,0|1,0,0]=3 10255 B18R2.95330 CC[C@H](C)COc1cc2ccccc2oc1=O 7a_100000061252_100009816398 [0,2,0,0,0,0|1,0,0]=3 10256 B18R2.95330 CC[C@H](C)COc1cc2cccnc2cc1Br 34a_200010153759_100009816398 [0,2,0,0,0,0|1,0,0]=3 10257 B18R2.95330 CC[C@H](C)COc1cc2cccnc2cc1Br 7a_200010153759_100009816398 [0,2,0,0,0,0|1,0,0]=3 10258 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2cc1N 62a_100009816398_100009991566 [0,2,0,0,0,0|0,1,0]=3 10259 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2cc1N 62a_100009991566_100009816398 [0,2,0,0,0,0|0,1,0]=3 10260 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2cc1O 62a_100009816398_100009817189 [0,2,0,0,0,0|0,1,0]=3 10261 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1F 62a_100009816398_100011158909 [0,2,0,0,0,0|1,1,0]=4 10262 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1F 62a_100011158909_100009816398 [0,2,0,0,0,0|1,1,0]=4 10263 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1N 62a_100010135404_100009816398 [0,2,0,0,0,0|1,1,0]=4 10264 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1O 62a_100009816398_200009820883 [0,2,0,0,0,0|1,1,0]=4 10265 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2oc1=O 62a_100009816398_200000187772 [0,2,0,0,0,0|1,1,0]=4 10266 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1C 62a_100009816398_100010137429 [0,2,0,0,0,0|1,1,0]=4 10267 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1C 62a_100010137429_100009816398 [0,2,0,0,0,0|1,1,0]=4 10268 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1F 62a_100009816398_100009854028 [0,2,0,0,0,0|1,1,0]=4 10269 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1F 62a_100009854028_100009816398 [0,2,0,0,0,0|1,1,0]=4 10270 B18R2.95330 CC[C@H](C)CSc1cc2ccncc2cc1F 62a_100009816398_100011105921 [0,2,0,0,0,0|1,1,0]=4 10271 B18R2.95330 CC[C@H](C)CSc1cc2ccncc2cc1F 62a_100011105921_100009816398 [0,2,0,0,0,0|1,1,0]=4 10272 B18R2.95330 CC[C@H](C)CSc1cc2cnccc2cc1F 62a_100009816398_100010244713 [0,2,0,0,0,0|1,1,0]=4 10273 B18R2.95330 CC[C@H](C)CSc1cc2cnccc2cc1F 62a_100010244713_100009816398 [0,2,0,0,0,0|1,1,0]=4 10274 B18R2.95330 CC[C@H](C)CSc1cc2ncccc2cc1O 62a_100009816398_200010153759 [0,2,0,0,0,0|1,1,0]=4 10275 B18R2.95330 CC[C@H](C)CSc1nc2ccccc2cc1C 62a_100009816398_100000751756 [0,2,0,0,0,0|1,1,0]=4 10276 B18R2.95330 CC[C@H](C)CSc1nc2ccccc2cc1O 62a_100009816398_200000100762 [0,2,0,0,0,0|1,1,0]=4 10277 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1Br 34a_100009817189_100000183359 [0,2,0,0,0,0|1,0,1]=4 10278 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000183359 [0,2,0,0,0,0|1,0,1]=4 10279 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1C 34a_100000091601_100000183359 [0,2,0,0,0,0|1,0,1]=4 10280 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1C 7a_100000091601_100000183359 [0,2,0,0,0,0|1,0,1]=4 10281 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1N 34a_106744474703_100000183359 [0,2,0,0,0,0|1,0,1]=4 10282 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000183359 [0,2,0,0,0,0|1,0,1]=4 10283 B18R2.95330 COC(=O)COc1cc2ccccc2cc1Br 34a_100009817189_100000747449 [0,2,0,0,0,0|1,0,1]=4 10284 B18R2.95330 COC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000747449 [0,2,0,0,0,0|1,0,1]=4 10285 B18R2.95330 COC(=O)COc1cc2ccccc2cc1C 34a_100000091601_100000747449 [0,2,0,0,0,0|1,0,1]=4 10286 B18R2.95330 COC(=O)COc1cc2ccccc2cc1C 7a_100000091601_100000747449 [0,2,0,0,0,0|1,0,1]=4 10287 B18R2.95330 COC(=O)COc1cc2ccccc2cc1N 34a_106744474703_100000747449 [0,2,0,0,0,0|1,0,1]=4 10288 B18R2.95330 COC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000747449 [0,2,0,0,0,0|1,0,1]=4 10289 B18R2.95330 CO[C@H](C)CNc1nc2ccccc2cc1C 27a_100020591295_100000751756 [0,2,0,0,0,0|2,0,0]=4 10290 B18R2.95330 C[C@@H](CO)CNc1cc2ccccc2cc1Br 34a_100009991566_100000059175 [0,2,0,0,0,0|1,0,0]=3 10291 B18R2.95330 C[C@@H](CO)CNc1cc2ccccc2cc1Br 7a_100009991566_100000059175 [0,2,0,0,0,0|1,0,0]=3 10292 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1Br 34a_100009817189_100000059175 [0,2,0,0,0,0|0,0,0]=2 10293 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1Br 7a_100009817189_100000059175 [0,2,0,0,0,0|0,0,0]=2 10294 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1N 34a_106744474703_100000059175 [0,2,0,0,0,0|0,0,0]=2 10295 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1N 7a_106744474703_100000059175 [0,2,0,0,0,0|0,0,0]=2 10296 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2nc1Cl 34a_200000100762_100000059175 [0,2,0,0,0,0|1,0,0]=3 10297 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2nc1Cl 7a_200000100762_100000059175 [0,2,0,0,0,0|1,0,0]=3 10298 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2oc1=O 7a_100000061252_100000059175 [0,2,0,0,0,0|1,0,0]=3 10299 B18R2.95330 C[C@@H](CO)COc1cc2cccnc2cc1Br 34a_200010153759_100000059175 [0,2,0,0,0,0|1,0,0]=3 10300 B18R2.95330 C[C@@H](CO)COc1cc2cccnc2cc1Br 7a_200010153759_100000059175 [0,2,0,0,0,0|1,0,0]=3 10301 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Br 62a_100000059175_200010169544 [0,2,0,0,0,0|0,1,0]=3 10302 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Br 62a_200010169544_100000059175 [0,2,0,0,0,0|0,1,0]=3 10303 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Cl 62a_100000059175_100010152806 [0,2,0,0,0,0|0,1,0]=3 10304 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Cl 62a_100010152806_100000059175 [0,2,0,0,0,0|0,1,0]=3 10305 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1N 62a_100000059175_100009991566 [0,2,0,0,0,0|0,1,0]=3 10306 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1N 62a_100009991566_100000059175 [0,2,0,0,0,0|0,1,0]=3 10307 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1O 62a_100000059175_100009817189 [0,2,0,0,0,0|0,1,0]=3 10308 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2nc1Cl 62a_100000059175_100010220712 [0,2,0,0,0,0|1,1,0]=4 10309 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2nc1F 62a_100000059175_100011158909 [0,2,0,0,0,0|1,1,0]=4 10310 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2nc1F 62a_100011158909_100000059175 [0,2,0,0,0,0|1,1,0]=4 10311 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2nc1N 62a_100010135404_100000059175 [0,2,0,0,0,0|1,1,0]=4 10312 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2nc1O 62a_100000059175_200009820883 [0,2,0,0,0,0|1,1,0]=4 10313 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2oc1=O 62a_100000059175_200000187772 [0,2,0,0,0,0|1,1,0]=4 10314 B18R2.95330 C[C@@H](CO)CSc1cc2cccnc2cc1F 62a_100000059175_100009854028 [0,2,0,0,0,0|1,1,0]=4 10315 B18R2.95330 C[C@@H](CO)CSc1cc2cccnc2cc1F 62a_100009854028_100000059175 [0,2,0,0,0,0|1,1,0]=4 10316 B18R2.95330 C[C@@H](CO)CSc1cc2ccncc2cc1F 62a_100000059175_100011105921 [0,2,0,0,0,0|1,1,0]=4 10317 B18R2.95330 C[C@@H](CO)CSc1cc2ccncc2cc1F 62a_100011105921_100000059175 [0,2,0,0,0,0|1,1,0]=4 10318 B18R2.95330 C[C@@H](CO)CSc1cc2cnccc2cc1F 62a_100000059175_100010244713 [0,2,0,0,0,0|1,1,0]=4 10319 B18R2.95330 C[C@@H](CO)CSc1cc2cnccc2cc1F 62a_100010244713_100000059175 [0,2,0,0,0,0|1,1,0]=4 10320 B18R2.95330 C[C@@H](CO)CSc1cc2ncccc2cc1O 62a_100000059175_200010153759 [0,2,0,0,0,0|1,1,0]=4 10321 B18R2.95330 C[C@@H](CO)CSc1nc2ccccc2cc1Br 62a_100000059175_100010072790 [0,2,0,0,0,0|1,1,0]=4 10322 B18R2.95330 C[C@@H](CO)CSc1nc2ccccc2cc1Br 62a_100010072790_100000059175 [0,2,0,0,0,0|1,1,0]=4 10323 B18R2.95330 C[C@@H](CO)CSc1nc2ccccc2cc1O 62a_100000059175_200000100762 [0,2,0,0,0,0|1,1,0]=4 10324 B18R2.95330 Cc1cc2ccccc2cc1OCC(O)CO 34a_100000091601_100011219619 [0,2,0,0,0,0|1,0,0]=3 10325 B18R2.95330 Cc1cc2ccccc2cc1OCC(O)CO 7a_100000091601_100011219619 [0,2,0,0,0,0|1,0,0]=3 10326 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](C)CO 34a_100000091601_100000059175 [0,2,0,0,0,0|0,0,0]=2 10327 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](C)CO 7a_100000091601_100000059175 [0,2,0,0,0,0|0,0,0]=2 10328 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CF 34a_100000091601_100015614560 [0,2,0,0,0,0|1,0,0]=3 10329 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CF 7a_100000091601_100015614560 [0,2,0,0,0,0|1,0,0]=3 10330 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CO 34a_100000091601_100009815848 [0,2,0,0,0,0|1,0,0]=3 10331 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CO 7a_100000091601_100009815848 [0,2,0,0,0,0|1,0,0]=3 10332 B18R2.95330 Cc1cc2ccccc2nc1NCC(C)CO 27a_100000744482_100000751756 [0,2,0,0,0,0|2,0,0]=4 10333 B18R2.95330 Cc1cc2ccccc2nc1SC[C@@H](C)CO 62a_100000059175_100000751756 [0,2,0,0,0,0|1,1,0]=4 10334 B18R2.95330 Cc1cc2ncccc2cc1SC[C@@H](C)CO 62a_100000059175_100010137429 [0,2,0,0,0,0|1,1,0]=4 10335 B18R2.95330 Cc1cc2ncccc2cc1SC[C@@H](C)CO 62a_100010137429_100000059175 [0,2,0,0,0,0|1,1,0]=4 10336 B18R2.95330 Cc1nc2ccccc2cc1OCC(O)CO 34a_200000079175_100011219619 [0,2,0,0,0,0|2,0,0]=4 10337 B18R2.95330 Cc1nc2ccccc2cc1OCC(O)CO 7a_200000079175_100011219619 [0,2,0,0,0,0|2,0,0]=4 10338 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](C)CO 34a_200000079175_100000059175 [0,2,0,0,0,0|1,0,0]=3 10339 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](C)CO 7a_200000079175_100000059175 [0,2,0,0,0,0|1,0,0]=3 10340 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CF 34a_200000079175_100015614560 [0,2,0,0,0,0|2,0,0]=4 10341 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CF 7a_200000079175_100015614560 [0,2,0,0,0,0|2,0,0]=4 10342 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CO 34a_200000079175_100009815848 [0,2,0,0,0,0|2,0,0]=4 10343 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CO 7a_200000079175_100009815848 [0,2,0,0,0,0|2,0,0]=4 10344 B18R2.95330 Nc1cc2ccccc2cc1OCC(O)CO 34a_106744474703_100011219619 [0,2,0,0,0,0|1,0,0]=3 10345 B18R2.95330 Nc1cc2ccccc2cc1OCC(O)CO 7a_106744474703_100011219619 [0,2,0,0,0,0|1,0,0]=3 10346 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CF 34a_106744474703_100015614560 [0,2,0,0,0,0|1,0,0]=3 10347 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CF 7a_106744474703_100015614560 [0,2,0,0,0,0|1,0,0]=3 10348 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CO 34a_106744474703_100009815848 [0,2,0,0,0,0|1,0,0]=3 10349 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CO 7a_106744474703_100009815848 [0,2,0,0,0,0|1,0,0]=3 10350 B18R2.95330 Nc1cc2ccccc2cc1SCC(O)CO 62a_100009991566_100011219619 [0,2,0,0,0,0|1,1,0]=4 10351 B18R2.95330 Nc1cc2ccccc2cc1SCC(O)CO 62a_100011219619_100009991566 [0,2,0,0,0,0|1,1,0]=4 10352 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CF 62a_100009991566_100015614560 [0,2,0,0,0,0|1,1,0]=4 10353 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CF 62a_100015614560_100009991566 [0,2,0,0,0,0|1,1,0]=4 10354 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CO 62a_100009815848_100009991566 [0,2,0,0,0,0|1,1,0]=4 10355 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CO 62a_100009991566_100009815848 [0,2,0,0,0,0|1,1,0]=4 10356 B18R2.95330 O=c1oc2ccccc2cc1OCC(O)CO 7a_100000061252_100011219619 [0,2,0,0,0,0|2,0,0]=4 10357 B18R2.95330 O=c1oc2ccccc2cc1OC[C@@H](O)CF 7a_100000061252_100015614560 [0,2,0,0,0,0|2,0,0]=4 10358 B18R2.95330 O=c1oc2ccccc2cc1OC[C@@H](O)CO 7a_100000061252_100009815848 [0,2,0,0,0,0|2,0,0]=4 10359 B18R2.95330 OCC(O)CNc1cc2ccccc2cc1Br 34a_100009991566_100011219619 [0,2,0,0,0,0|2,0,0]=4 10360 B18R2.95330 OCC(O)CNc1cc2ccccc2cc1Br 7a_100009991566_100011219619 [0,2,0,0,0,0|2,0,0]=4 10361 B18R2.95330 OCC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100011219619 [0,2,0,0,0,0|1,0,0]=3 10362 B18R2.95330 OCC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100011219619 [0,2,0,0,0,0|1,0,0]=3 10363 B18R2.95330 OCC(O)COc1cc2ccccc2nc1Cl 34a_200000100762_100011219619 [0,2,0,0,0,0|2,0,0]=4 10364 B18R2.95330 OCC(O)COc1cc2ccccc2nc1Cl 7a_200000100762_100011219619 [0,2,0,0,0,0|2,0,0]=4 10365 B18R2.95330 OCC(O)COc1cc2cccnc2cc1Br 34a_200010153759_100011219619 [0,2,0,0,0,0|2,0,0]=4 10366 B18R2.95330 OCC(O)COc1cc2cccnc2cc1Br 7a_200010153759_100011219619 [0,2,0,0,0,0|2,0,0]=4 10367 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Br 62a_100011219619_200010169544 [0,2,0,0,0,0|1,1,0]=4 10368 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Br 62a_200010169544_100011219619 [0,2,0,0,0,0|1,1,0]=4 10369 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100011219619 [0,2,0,0,0,0|1,1,0]=4 10370 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Cl 62a_100011219619_100010152806 [0,2,0,0,0,0|1,1,0]=4 10371 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1O 62a_100011219619_100009817189 [0,2,0,0,0,0|1,1,0]=4 10372 B18R2.95330 OC[C@H](O)CNc1cc2ccccc2cc1Br 34a_100009991566_100009815848 [0,2,0,0,0,0|2,0,0]=4 10373 B18R2.95330 OC[C@H](O)CNc1cc2ccccc2cc1Br 7a_100009991566_100009815848 [0,2,0,0,0,0|2,0,0]=4 10374 B18R2.95330 OC[C@H](O)COc1cc2ccccc2cc1Br 34a_100009817189_100009815848 [0,2,0,0,0,0|1,0,0]=3 10375 B18R2.95330 OC[C@H](O)COc1cc2ccccc2cc1Br 7a_100009817189_100009815848 [0,2,0,0,0,0|1,0,0]=3 10376 B18R2.95330 OC[C@H](O)COc1cc2ccccc2nc1Cl 34a_200000100762_100009815848 [0,2,0,0,0,0|2,0,0]=4 10377 B18R2.95330 OC[C@H](O)COc1cc2ccccc2nc1Cl 7a_200000100762_100009815848 [0,2,0,0,0,0|2,0,0]=4 10378 B18R2.95330 OC[C@H](O)COc1cc2cccnc2cc1Br 34a_200010153759_100009815848 [0,2,0,0,0,0|2,0,0]=4 10379 B18R2.95330 OC[C@H](O)COc1cc2cccnc2cc1Br 7a_200010153759_100009815848 [0,2,0,0,0,0|2,0,0]=4 10380 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Br 62a_100009815848_200010169544 [0,2,0,0,0,0|1,1,0]=4 10381 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Br 62a_200010169544_100009815848 [0,2,0,0,0,0|1,1,0]=4 10382 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Cl 62a_100009815848_100010152806 [0,2,0,0,0,0|1,1,0]=4 10383 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100009815848 [0,2,0,0,0,0|1,1,0]=4 10384 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1O 62a_100009815848_100009817189 [0,2,0,0,0,0|1,1,0]=4 10385 B18R2.95330 O[C@@H](CF)CNc1cc2ccccc2cc1Br 34a_100009991566_100015614560 [0,2,0,0,0,0|2,0,0]=4 10386 B18R2.95330 O[C@@H](CF)CNc1cc2ccccc2cc1Br 7a_100009991566_100015614560 [0,2,0,0,0,0|2,0,0]=4 10387 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2cc1Br 34a_100009817189_100015614560 [0,2,0,0,0,0|1,0,0]=3 10388 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2cc1Br 7a_100009817189_100015614560 [0,2,0,0,0,0|1,0,0]=3 10389 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2nc1Cl 34a_200000100762_100015614560 [0,2,0,0,0,0|2,0,0]=4 10390 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2nc1Cl 7a_200000100762_100015614560 [0,2,0,0,0,0|2,0,0]=4 10391 B18R2.95330 O[C@@H](CF)COc1cc2cccnc2cc1Br 34a_200010153759_100015614560 [0,2,0,0,0,0|2,0,0]=4 10392 B18R2.95330 O[C@@H](CF)COc1cc2cccnc2cc1Br 7a_200010153759_100015614560 [0,2,0,0,0,0|2,0,0]=4 10393 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Br 62a_100015614560_200010169544 [0,2,0,0,0,0|1,1,0]=4 10394 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Br 62a_200010169544_100015614560 [0,2,0,0,0,0|1,1,0]=4 10395 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Cl 62a_100010152806_100015614560 [0,2,0,0,0,0|1,1,0]=4 10396 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Cl 62a_100015614560_100010152806 [0,2,0,0,0,0|1,1,0]=4 10397 B18R2.95330 Oc1cc2ccccc2cc1SC[C@@H](O)CF 62a_100015614560_100009817189 [0,2,0,0,0,0|1,1,0]=4 10398 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000730141 [0,2,0,0,0,0|1,0,1]=4 10399 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000730141 [0,2,0,0,0,0|1,0,1]=4 10400 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000730141 [0,2,0,0,0,0|1,0,1]=4 10401 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000730141 [0,2,0,0,0,0|1,0,1]=4 10402 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000730141 [0,2,0,0,0,0|1,0,1]=4 10403 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000730141 [0,2,0,0,0,0|1,0,1]=4 10404 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000730141 [0,2,0,0,0,0|1,0,1]=4 10405 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000730141 [0,2,0,0,0,0|1,0,1]=4 10406 B18R2.101667 CC(CF)OCc1ccc2cc(ccc2c1)Br 34a_100016041109_100012356510 [0,2,0,0,0,0|2,0,0]=4 10407 B18R2.101667 CC(CF)OCc1ccc2cc(ccc2c1)Br 7a_100016041109_100012356510 [0,2,0,0,0,0|2,0,0]=4 10408 B18R2.101667 CC(CN)OCc1ccc2cc(ccc2c1)Br 34a_100000210904_100012356510 [0,2,0,0,0,0|2,0,0]=4 10409 B18R2.101667 CC(CO)CNc1ccc2cc(ccc2n1)F 27a_100000744482_100011998705 [0,2,0,0,0,0|2,0,0]=4 10410 B18R2.101667 CC(CO)CNc1ccc2cc(cnc2c1)Br 27a_100000744482_200015509644 [0,2,0,0,0,0|2,0,0]=4 10411 B18R2.101667 CC(CO)NCc1ccc2cc(ccc2c1)O 34a_200000083168_100012180447 [0,2,0,0,0,0|2,0,0]=4 10412 B18R2.101667 CC(CO)OCc1ccc2cc(ccc2c1)Br 34a_100012356509_100012180447 [0,2,0,0,0,0|2,0,0]=4 10413 B18R2.101667 CC(CO)OCc1ccc2cc(ccc2c1)Br 7a_100012356509_100012180447 [0,2,0,0,0,0|2,0,0]=4 10414 B18R2.101667 CC(CO)SCc1ccc2cc(ccc2c1)Br 62a_100012180447_100012356510 [0,2,0,0,0,0|2,0,0]=4 10415 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)Br 1458a_100000191258_100000210202 [0,2,0,0,0,0|1,0,1]=4 10416 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000747405 [0,2,0,0,0,0|1,0,1]=4 10417 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000747405 [0,2,0,0,0,0|1,0,1]=4 10418 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000747405 [0,2,0,0,0,0|1,0,1]=4 10419 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000747405 [0,2,0,0,0,0|1,0,1]=4 10420 B18R2.101667 CCC(C)CNc1ccc2cc(ccc2n1)C 27a_100020588543_100011865911 [0,2,0,0,0,0|2,0,0]=4 10421 B18R2.101667 CCC(C)CNc1ccc2cc(ccc2n1)F 27a_100020588543_100011998705 [0,2,0,0,0,0|2,0,0]=4 10422 B18R2.101667 CCC(C)CNc1ccc2cc(cnc2c1)Br 27a_100020588543_200015509644 [0,2,0,0,0,0|2,0,0]=4 10423 B18R2.101667 CCC(C)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000748023 [0,2,0,0,0,0|2,0,0]=4 10424 B18R2.101667 CCC(C)CNc1ccc2nc(ccc2c1)C 34a_100011216442_100000748023 [0,2,0,0,0,0|2,0,0]=4 10425 B18R2.101667 CCC(C)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000748023 [0,2,0,0,0,0|2,0,0]=4 10426 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000748023 [0,2,0,0,0,0|0,0,0]=2 10427 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000748023 [0,2,0,0,0,0|0,0,0]=2 10428 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000748023 [0,2,0,0,0,0|0,0,0]=2 10429 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000748023 [0,2,0,0,0,0|0,0,0]=2 10430 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000748023 [0,2,0,0,0,0|0,0,0]=2 10431 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000748023 [0,2,0,0,0,0|0,0,0]=2 10432 B18R2.101667 CCC(C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000748023 [0,2,0,0,0,0|1,0,0]=3 10433 B18R2.101667 CCC(C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000748023 [0,2,0,0,0,0|1,0,0]=3 10434 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)C 34a_100000037634_100000748023 [0,2,0,0,0,0|1,0,0]=3 10435 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)C 7a_100000037634_100000748023 [0,2,0,0,0,0|1,0,0]=3 10436 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000748023 [0,2,0,0,0,0|1,0,0]=3 10437 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000748023 [0,2,0,0,0,0|1,0,0]=3 10438 B18R2.101667 CCC(C)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000748023 [0,2,0,0,0,0|2,0,0]=4 10439 B18R2.101667 CCC(C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000748023 [0,2,0,0,0,0|1,0,0]=3 10440 B18R2.101667 CCC(C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000748023 [0,2,0,0,0,0|1,0,0]=3 10441 B18R2.101667 CCC(C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000748023 [0,2,0,0,0,0|1,0,0]=3 10442 B18R2.101667 CCC(C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000748023 [0,2,0,0,0,0|1,0,0]=3 10443 B18R2.101667 CCC(C)CSc1ccc2[nH]c(=O)ccc2c1 62a_100000748023_100011934725 [0,2,0,0,0,0|1,1,0]=4 10444 B18R2.101667 CCC(C)CSc1ccc2c[n+](ccc2c1)C 62a_100000748023_100015191232 [0,2,0,0,0,0|1,1,0]=4 10445 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000748023 [0,2,0,0,0,0|0,1,0]=3 10446 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2c1)N 62a_100000748023_100000185457 [0,2,0,0,0,0|0,1,0]=3 10447 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2c1)O 62a_100000748023_100000185455 [0,2,0,0,0,0|0,1,0]=3 10448 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)C 62a_100000748023_100011865911 [0,2,0,0,0,0|1,1,0]=4 10449 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)C 62a_200000181977_100000748023 [0,2,0,0,0,0|1,1,0]=4 10450 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)F 62a_100000748023_100011998705 [0,2,0,0,0,0|1,1,0]=4 10451 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100000748023 [0,2,0,0,0,0|1,1,0]=4 10452 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)O 62a_100000748023_100009849208 [0,2,0,0,0,0|1,1,0]=4 10453 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)C 62a_100000748023_100010751441 [0,2,0,0,0,0|1,1,0]=4 10454 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)F 62a_100000748023_100010751466 [0,2,0,0,0,0|1,1,0]=4 10455 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100000748023 [0,2,0,0,0,0|1,1,0]=4 10456 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)N 62a_100000748023_100010142226 [0,2,0,0,0,0|1,1,0]=4 10457 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100000748023 [0,2,0,0,0,0|1,1,0]=4 10458 B18R2.101667 CCC(C)CSc1ccc2cc(ncc2c1)N 62a_100000748023_100010232990 [0,2,0,0,0,0|1,1,0]=4 10459 B18R2.101667 CCC(C)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100000748023 [0,2,0,0,0,0|1,1,0]=4 10460 B18R2.101667 CCC(C)CSc1ccc2nc(ccc2c1)C 62a_100000686635_100000748023 [0,2,0,0,0,0|1,1,0]=4 10461 B18R2.101667 CCC(C)CSc1ccc2nc(ccc2c1)C 62a_100000748023_100000686635 [0,2,0,0,0,0|1,1,0]=4 10462 B18R2.101667 CCC(C)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100000748023 [0,2,0,0,0,0|1,1,0]=4 10463 B18R2.101667 CCC(C)CSc1ccc2oc(=O)ccc2c1 62a_100000748023_100009999946 [0,2,0,0,0,0|1,1,0]=4 10464 B18R2.101667 CCC(C)CSc1cnc2cc(ccc2c1)N 62a_100000748023_200010264087 [0,2,0,0,0,0|1,1,0]=4 10465 B18R2.101667 CCC(C)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100000748023 [0,2,0,0,0,0|1,1,0]=4 10466 B18R2.101667 CCC(C)CSc1cnc2cc(ccc2c1)O 62a_100000748023_200010153753 [0,2,0,0,0,0|1,1,0]=4 10467 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)Br 207a_100000209981_100012356508 [0,2,0,0,0,0|2,0,0]=4 10468 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)Br 2230a_100000209981_100012356510 [0,2,0,0,0,0|2,0,0]=4 10469 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)Br 270004a_100000209981_100012356508 [0,2,0,0,0,0|2,0,0]=4 10470 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)O 207a_100000209981_100000067190 [0,2,0,0,0,0|2,0,0]=4 10471 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)O 270004a_100000209981_100000067190 [0,2,0,0,0,0|2,0,0]=4 10472 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)O 34a_200000083168_100011215416 [0,2,0,0,0,0|2,0,0]=4 10473 B18R2.101667 CCC(C)OCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011215416 [0,2,0,0,0,0|2,0,0]=4 10474 B18R2.101667 CCC(C)OCc1ccc2cc(ccc2c1)Br 7a_100000210228_100012356510 [0,2,0,0,0,0|2,0,0]=4 10475 B18R2.101667 CCC(C)OCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000758301 [0,2,0,0,0,0|2,0,0]=4 10476 B18R2.101667 CCC(O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011218378 [0,2,0,0,0,0|2,0,0]=4 10477 B18R2.101667 CCC(O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011218378 [0,2,0,0,0,0|2,0,0]=4 10478 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218378 [0,2,0,0,0,0|1,0,0]=3 10479 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011218378 [0,2,0,0,0,0|1,0,0]=3 10480 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100011218378 [0,2,0,0,0,0|1,0,0]=3 10481 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100011218378 [0,2,0,0,0,0|1,0,0]=3 10482 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218378 [0,2,0,0,0,0|1,0,0]=3 10483 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011218378 [0,2,0,0,0,0|1,0,0]=3 10484 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011218378 [0,2,0,0,0,0|1,0,0]=3 10485 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100011218378 [0,2,0,0,0,0|1,0,0]=3 10486 B18R2.101667 CCC(O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011218378 [0,2,0,0,0,0|2,0,0]=4 10487 B18R2.101667 CCC(O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100011218378 [0,2,0,0,0,0|2,0,0]=4 10488 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)C 34a_100000037634_100011218378 [0,2,0,0,0,0|2,0,0]=4 10489 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)C 7a_100000037634_100011218378 [0,2,0,0,0,0|2,0,0]=4 10490 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011218378 [0,2,0,0,0,0|2,0,0]=4 10491 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011218378 [0,2,0,0,0,0|2,0,0]=4 10492 B18R2.101667 CCC(O)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100011218378 [0,2,0,0,0,0|2,0,0]=4 10493 B18R2.101667 CCC(O)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100011218378 [0,2,0,0,0,0|2,0,0]=4 10494 B18R2.101667 CCC(O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011218378 [0,2,0,0,0,0|2,0,0]=4 10495 B18R2.101667 CCC(O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100011218378 [0,2,0,0,0,0|2,0,0]=4 10496 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100011218378_100012344972 [0,2,0,0,0,0|1,1,0]=4 10497 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011218378 [0,2,0,0,0,0|1,1,0]=4 10498 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100011218378 [0,2,0,0,0,0|1,1,0]=4 10499 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)F 62a_100011218378_100009817052 [0,2,0,0,0,0|1,1,0]=4 10500 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100011218378 [0,2,0,0,0,0|1,1,0]=4 10501 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)N 62a_100011218378_100000185457 [0,2,0,0,0,0|1,1,0]=4 10502 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)O 62a_100011218378_100000185455 [0,2,0,0,0,0|1,1,0]=4 10503 B18R2.101667 CC[C@H](C)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100009816398 [0,2,0,0,0,0|2,0,0]=4 10504 B18R2.101667 CC[C@H](C)CNc1ccc2nc(ccc2c1)C 34a_100011216442_100009816398 [0,2,0,0,0,0|2,0,0]=4 10505 B18R2.101667 CC[C@H](C)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100009816398 [0,2,0,0,0,0|2,0,0]=4 10506 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)C 34a_100000074090_100009816398 [0,2,0,0,0,0|0,0,0]=2 10507 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)C 7a_100000074090_100009816398 [0,2,0,0,0,0|0,0,0]=2 10508 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009816398 [0,2,0,0,0,0|0,0,0]=2 10509 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009816398 [0,2,0,0,0,0|0,0,0]=2 10510 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009816398 [0,2,0,0,0,0|0,0,0]=2 10511 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100009816398 [0,2,0,0,0,0|0,0,0]=2 10512 B18R2.101667 CC[C@H](C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100009816398 [0,2,0,0,0,0|1,0,0]=3 10513 B18R2.101667 CC[C@H](C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100009816398 [0,2,0,0,0,0|1,0,0]=3 10514 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)C 34a_100000037634_100009816398 [0,2,0,0,0,0|1,0,0]=3 10515 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)C 7a_100000037634_100009816398 [0,2,0,0,0,0|1,0,0]=3 10516 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009816398 [0,2,0,0,0,0|1,0,0]=3 10517 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009816398 [0,2,0,0,0,0|1,0,0]=3 10518 B18R2.101667 CC[C@H](C)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100009816398 [0,2,0,0,0,0|2,0,0]=4 10519 B18R2.101667 CC[C@H](C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100009816398 [0,2,0,0,0,0|1,0,0]=3 10520 B18R2.101667 CC[C@H](C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100009816398 [0,2,0,0,0,0|1,0,0]=3 10521 B18R2.101667 CC[C@H](C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100009816398 [0,2,0,0,0,0|1,0,0]=3 10522 B18R2.101667 CC[C@H](C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100009816398 [0,2,0,0,0,0|1,0,0]=3 10523 B18R2.101667 CC[C@H](C)CSc1ccc2[nH]c(=O)ccc2c1 62a_100009816398_100011934725 [0,2,0,0,0,0|1,1,0]=4 10524 B18R2.101667 CC[C@H](C)CSc1ccc2c[n+](ccc2c1)C 62a_100009816398_100015191232 [0,2,0,0,0,0|1,1,0]=4 10525 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100009816398 [0,2,0,0,0,0|0,1,0]=3 10526 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2c1)N 62a_100009816398_100000185457 [0,2,0,0,0,0|0,1,0]=3 10527 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2c1)O 62a_100009816398_100000185455 [0,2,0,0,0,0|0,1,0]=3 10528 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)C 62a_100009816398_100011865911 [0,2,0,0,0,0|1,1,0]=4 10529 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)C 62a_200000181977_100009816398 [0,2,0,0,0,0|1,1,0]=4 10530 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)F 62a_100009816398_100011998705 [0,2,0,0,0,0|1,1,0]=4 10531 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100009816398 [0,2,0,0,0,0|1,1,0]=4 10532 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)O 62a_100009816398_100009849208 [0,2,0,0,0,0|1,1,0]=4 10533 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)C 62a_100009816398_100010751441 [0,2,0,0,0,0|1,1,0]=4 10534 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)F 62a_100009816398_100010751466 [0,2,0,0,0,0|1,1,0]=4 10535 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100009816398 [0,2,0,0,0,0|1,1,0]=4 10536 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)N 62a_100009816398_100010142226 [0,2,0,0,0,0|1,1,0]=4 10537 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100009816398 [0,2,0,0,0,0|1,1,0]=4 10538 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ncc2c1)N 62a_100009816398_100010232990 [0,2,0,0,0,0|1,1,0]=4 10539 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100009816398 [0,2,0,0,0,0|1,1,0]=4 10540 B18R2.101667 CC[C@H](C)CSc1ccc2nc(ccc2c1)C 62a_100000686635_100009816398 [0,2,0,0,0,0|1,1,0]=4 10541 B18R2.101667 CC[C@H](C)CSc1ccc2nc(ccc2c1)C 62a_100009816398_100000686635 [0,2,0,0,0,0|1,1,0]=4 10542 B18R2.101667 CC[C@H](C)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100009816398 [0,2,0,0,0,0|1,1,0]=4 10543 B18R2.101667 CC[C@H](C)CSc1ccc2oc(=O)ccc2c1 62a_100009816398_100009999946 [0,2,0,0,0,0|1,1,0]=4 10544 B18R2.101667 CC[C@H](C)CSc1cnc2cc(ccc2c1)N 62a_100009816398_200010264087 [0,2,0,0,0,0|1,1,0]=4 10545 B18R2.101667 CC[C@H](C)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100009816398 [0,2,0,0,0,0|1,1,0]=4 10546 B18R2.101667 CC[C@H](C)CSc1cnc2cc(ccc2c1)O 62a_100009816398_200010153753 [0,2,0,0,0,0|1,1,0]=4 10547 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 11a_106832991635_100000191258 [0,2,0,0,0,0|1,0,1]=4 10548 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 1626a_100102657272_100000191258 [0,2,0,0,0,0|1,0,1]=4 10549 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 240690a_100102657272_100000191258 [0,2,0,0,0,0|1,0,1]=4 10550 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000183359 [0,2,0,0,0,0|1,0,1]=4 10551 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 527a_100102657272_100000191258 [0,2,0,0,0,0|1,0,1]=4 10552 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000183359 [0,2,0,0,0,0|1,0,1]=4 10553 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000183359 [0,2,0,0,0,0|1,0,1]=4 10554 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000183359 [0,2,0,0,0,0|1,0,1]=4 10555 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000183359 [0,2,0,0,0,0|1,0,1]=4 10556 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000183359 [0,2,0,0,0,0|1,0,1]=4 10557 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000183359 [0,2,0,0,0,0|1,0,1]=4 10558 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000183359 [0,2,0,0,0,0|1,0,1]=4 10559 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000747449 [0,2,0,0,0,0|1,0,1]=4 10560 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000747449 [0,2,0,0,0,0|1,0,1]=4 10561 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000747449 [0,2,0,0,0,0|1,0,1]=4 10562 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000747449 [0,2,0,0,0,0|1,0,1]=4 10563 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000747449 [0,2,0,0,0,0|1,0,1]=4 10564 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000747449 [0,2,0,0,0,0|1,0,1]=4 10565 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000747449 [0,2,0,0,0,0|1,0,1]=4 10566 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000747449 [0,2,0,0,0,0|1,0,1]=4 10567 B18R2.101667 COC(C)SCc1ccc2cc(ccc2c1)Br 62a_100009879195_100012356510 [0,2,0,0,0,0|2,0,0]=4 10568 B18R2.101667 COC(C)SCc1ccc2cc(ccc2c1)Br 62a_100012356510_100009879195 [0,2,0,0,0,0|2,0,0]=4 10569 B18R2.101667 CO[C@H](C)CNc1ccc2cc(ccc2n1)C 27a_100020591295_100011865911 [0,2,0,0,0,0|2,0,0]=4 10570 B18R2.101667 CO[C@H](C)CNc1ccc2cc(ccc2n1)F 27a_100020591295_100011998705 [0,2,0,0,0,0|2,0,0]=4 10571 B18R2.101667 CO[C@H](C)CNc1ccc2cc(cnc2c1)Br 27a_100020591295_200015509644 [0,2,0,0,0,0|2,0,0]=4 10572 B18R2.101667 C[C@@H](CO)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000059175 [0,2,0,0,0,0|1,0,0]=3 10573 B18R2.101667 C[C@@H](CO)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000059175 [0,2,0,0,0,0|1,0,0]=3 10574 B18R2.101667 C[C@@H](CO)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000059175 [0,2,0,0,0,0|2,0,0]=4 10575 B18R2.101667 C[C@@H](CO)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000059175 [0,2,0,0,0,0|2,0,0]=4 10576 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000059175 [0,2,0,0,0,0|0,0,0]=2 10577 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000059175 [0,2,0,0,0,0|0,0,0]=2 10578 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000059175 [0,2,0,0,0,0|0,0,0]=2 10579 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000059175 [0,2,0,0,0,0|0,0,0]=2 10580 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000059175 [0,2,0,0,0,0|0,0,0]=2 10581 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000059175 [0,2,0,0,0,0|0,0,0]=2 10582 B18R2.101667 C[C@@H](CO)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000059175 [0,2,0,0,0,0|1,0,0]=3 10583 B18R2.101667 C[C@@H](CO)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000059175 [0,2,0,0,0,0|1,0,0]=3 10584 B18R2.101667 C[C@@H](CO)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000059175 [0,2,0,0,0,0|1,0,0]=3 10585 B18R2.101667 C[C@@H](CO)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000059175 [0,2,0,0,0,0|1,0,0]=3 10586 B18R2.101667 C[C@@H](CO)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000059175 [0,2,0,0,0,0|2,0,0]=4 10587 B18R2.101667 C[C@@H](CO)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000059175 [0,2,0,0,0,0|1,0,0]=3 10588 B18R2.101667 C[C@@H](CO)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000059175 [0,2,0,0,0,0|1,0,0]=3 10589 B18R2.101667 C[C@@H](CO)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000059175 [0,2,0,0,0,0|1,0,0]=3 10590 B18R2.101667 C[C@@H](CO)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000059175 [0,2,0,0,0,0|1,0,0]=3 10591 B18R2.101667 C[C@@H](CO)CSc1ccc2[nH]c(=O)ccc2c1 62a_100000059175_100011934725 [0,2,0,0,0,0|1,1,0]=4 10592 B18R2.101667 C[C@@H](CO)CSc1ccc2c[n+](ccc2c1)C 62a_100000059175_100015191232 [0,2,0,0,0,0|1,1,0]=4 10593 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)Br 62a_100000059175_100012344972 [0,2,0,0,0,0|0,1,0]=3 10594 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000059175 [0,2,0,0,0,0|0,1,0]=3 10595 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)F 62a_100000059175_100009817052 [0,2,0,0,0,0|0,1,0]=3 10596 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000059175 [0,2,0,0,0,0|0,1,0]=3 10597 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)N 62a_100000059175_100000185457 [0,2,0,0,0,0|0,1,0]=3 10598 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000059175 [0,2,0,0,0,0|0,1,0]=3 10599 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)O 62a_100000059175_100000185455 [0,2,0,0,0,0|0,1,0]=3 10600 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2n1)F 62a_100000059175_100011998705 [0,2,0,0,0,0|1,1,0]=4 10601 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100000059175 [0,2,0,0,0,0|1,1,0]=4 10602 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2n1)O 62a_100000059175_100009849208 [0,2,0,0,0,0|1,1,0]=4 10603 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(cnc2c1)Br 62a_100000059175_200015509644 [0,2,0,0,0,0|1,1,0]=4 10604 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000059175 [0,2,0,0,0,0|1,1,0]=4 10605 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(cnc2c1)F 62a_100000059175_100010751466 [0,2,0,0,0,0|1,1,0]=4 10606 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100000059175 [0,2,0,0,0,0|1,1,0]=4 10607 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(cnc2c1)N 62a_100000059175_100010142226 [0,2,0,0,0,0|1,1,0]=4 10608 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100000059175 [0,2,0,0,0,0|1,1,0]=4 10609 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ncc2c1)N 62a_100000059175_100010232990 [0,2,0,0,0,0|1,1,0]=4 10610 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100000059175 [0,2,0,0,0,0|1,1,0]=4 10611 B18R2.101667 C[C@@H](CO)CSc1ccc2nc(ccc2c1)Cl 62a_100000059175_200012034268 [0,2,0,0,0,0|1,1,0]=4 10612 B18R2.101667 C[C@@H](CO)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100000059175 [0,2,0,0,0,0|1,1,0]=4 10613 B18R2.101667 C[C@@H](CO)CSc1ccc2oc(=O)ccc2c1 62a_100000059175_100009999946 [0,2,0,0,0,0|1,1,0]=4 10614 B18R2.101667 C[C@@H](CO)CSc1cnc2cc(ccc2c1)Cl 62a_100000059175_100015716233 [0,2,0,0,0,0|1,1,0]=4 10615 B18R2.101667 C[C@@H](CO)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000059175 [0,2,0,0,0,0|1,1,0]=4 10616 B18R2.101667 C[C@@H](CO)CSc1cnc2cc(ccc2c1)N 62a_100000059175_200010264087 [0,2,0,0,0,0|1,1,0]=4 10617 B18R2.101667 C[C@@H](CO)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100000059175 [0,2,0,0,0,0|1,1,0]=4 10618 B18R2.101667 C[C@@H](CO)CSc1cnc2cc(ccc2c1)O 62a_100000059175_200010153753 [0,2,0,0,0,0|1,1,0]=4 10619 B18R2.101667 C[C@H](CF)NCc1ccc2cc(ccc2c1)Br 207a_100102880703_100012356508 [0,2,0,0,0,0|2,0,0]=4 10620 B18R2.101667 C[C@H](CF)NCc1ccc2cc(ccc2c1)Br 270004a_100102880703_100012356508 [0,2,0,0,0,0|2,0,0]=4 10621 B18R2.101667 C[C@H](CF)NCc1ccc2cc(ccc2c1)O 207a_100102880703_100000067190 [0,2,0,0,0,0|2,0,0]=4 10622 B18R2.101667 C[C@H](CF)NCc1ccc2cc(ccc2c1)O 270004a_100102880703_100000067190 [0,2,0,0,0,0|2,0,0]=4 10623 B18R2.101667 C[C@H](CO)NCc1ccc2cc(ccc2c1)Br 207a_100000737577_100012356508 [0,2,0,0,0,0|2,0,0]=4 10624 B18R2.101667 C[C@H](CO)NCc1ccc2cc(ccc2c1)Br 2230a_100000737577_100012356510 [0,2,0,0,0,0|2,0,0]=4 10625 B18R2.101667 C[C@H](CO)NCc1ccc2cc(ccc2c1)Br 270004a_100000737577_100012356508 [0,2,0,0,0,0|2,0,0]=4 10626 B18R2.101667 C[C@H](CO)NCc1ccc2cc(ccc2c1)O 207a_100000737577_100000067190 [0,2,0,0,0,0|2,0,0]=4 10627 B18R2.101667 C[C@H](CO)NCc1ccc2cc(ccc2c1)O 270004a_100000737577_100000067190 [0,2,0,0,0,0|2,0,0]=4 10628 B18R2.101667 C[C@H](CO)SCc1ccc2cc(ccc2c1)Br 62a_100012356510_100016084084 [0,2,0,0,0,0|2,0,0]=4 10629 B18R2.101667 C[C@H](CO)SCc1ccc2cc(ccc2c1)Br 62a_100016084084_100012356510 [0,2,0,0,0,0|2,0,0]=4 10630 B18R2.101667 Cc1ccc2cc(ccc2c1)OCC(O)CO 34a_100000074090_100011219619 [0,2,0,0,0,0|1,0,0]=3 10631 B18R2.101667 Cc1ccc2cc(ccc2c1)OCC(O)CO 7a_100000074090_100011219619 [0,2,0,0,0,0|1,0,0]=3 10632 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](C)CO 34a_100000074090_100000059175 [0,2,0,0,0,0|0,0,0]=2 10633 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](C)CO 7a_100000074090_100000059175 [0,2,0,0,0,0|0,0,0]=2 10634 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CF 34a_100000074090_100015614560 [0,2,0,0,0,0|1,0,0]=3 10635 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CF 7a_100000074090_100015614560 [0,2,0,0,0,0|1,0,0]=3 10636 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CO 34a_100000074090_100009815848 [0,2,0,0,0,0|1,0,0]=3 10637 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CO 7a_100000074090_100009815848 [0,2,0,0,0,0|1,0,0]=3 10638 B18R2.101667 Cc1ccc2cc(ccc2n1)NC[C@@H](C)CO 34a_100011216442_100000059175 [0,2,0,0,0,0|2,0,0]=4 10639 B18R2.101667 Cc1ccc2cc(ccc2n1)OCC(O)CO 34a_100000037634_100011219619 [0,2,0,0,0,0|2,0,0]=4 10640 B18R2.101667 Cc1ccc2cc(ccc2n1)OCC(O)CO 7a_100000037634_100011219619 [0,2,0,0,0,0|2,0,0]=4 10641 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](C)CO 34a_100000037634_100000059175 [0,2,0,0,0,0|1,0,0]=3 10642 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](C)CO 7a_100000037634_100000059175 [0,2,0,0,0,0|1,0,0]=3 10643 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CF 34a_100000037634_100015614560 [0,2,0,0,0,0|2,0,0]=4 10644 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CF 7a_100000037634_100015614560 [0,2,0,0,0,0|2,0,0]=4 10645 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CO 34a_100000037634_100009815848 [0,2,0,0,0,0|2,0,0]=4 10646 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CO 7a_100000037634_100009815848 [0,2,0,0,0,0|2,0,0]=4 10647 B18R2.101667 Cc1ccc2cc(ccc2n1)SC[C@@H](C)CO 62a_100000059175_100000686635 [0,2,0,0,0,0|1,1,0]=4 10648 B18R2.101667 Cc1ccc2cc(ccc2n1)SC[C@@H](C)CO 62a_100000686635_100000059175 [0,2,0,0,0,0|1,1,0]=4 10649 B18R2.101667 Cc1ccc2nc(ccc2c1)NCC(C)CO 27a_100000744482_100011865911 [0,2,0,0,0,0|2,0,0]=4 10650 B18R2.101667 Cc1ccc2nc(ccc2c1)SC[C@@H](C)CO 62a_100000059175_100011865911 [0,2,0,0,0,0|1,1,0]=4 10651 B18R2.101667 Cc1ccc2nc(ccc2c1)SC[C@@H](C)CO 62a_200000181977_100000059175 [0,2,0,0,0,0|1,1,0]=4 10652 B18R2.101667 Cc1cnc2cc(ccc2c1)SC[C@@H](C)CO 62a_100000059175_100010751441 [0,2,0,0,0,0|1,1,0]=4 10653 B18R2.101667 Nc1ccc2cc(ccc2c1)SCC(O)CO 62a_100000185457_100011219619 [0,2,0,0,0,0|1,1,0]=4 10654 B18R2.101667 Nc1ccc2cc(ccc2c1)SCC(O)CO 62a_100011219619_100000185457 [0,2,0,0,0,0|1,1,0]=4 10655 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CF 62a_100000185457_100015614560 [0,2,0,0,0,0|1,1,0]=4 10656 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CF 62a_100015614560_100000185457 [0,2,0,0,0,0|1,1,0]=4 10657 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CO 62a_100000185457_100009815848 [0,2,0,0,0,0|1,1,0]=4 10658 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CO 62a_100009815848_100000185457 [0,2,0,0,0,0|1,1,0]=4 10659 B18R2.101667 O=C(CF)COc1ccc2cc(ccc2c1)Br 1458a_100000191258_100015361967 [0,2,0,0,0,0|1,0,1]=4 10660 B18R2.101667 O=c1ccc2cc(ccc2o1)OCC(O)CO 34a_100000066265_100011219619 [0,2,0,0,0,0|2,0,0]=4 10661 B18R2.101667 O=c1ccc2cc(ccc2o1)OCC(O)CO 7a_100000066265_100011219619 [0,2,0,0,0,0|2,0,0]=4 10662 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CF 34a_100000066265_100015614560 [0,2,0,0,0,0|2,0,0]=4 10663 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CF 7a_100000066265_100015614560 [0,2,0,0,0,0|2,0,0]=4 10664 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CO 34a_100000066265_100009815848 [0,2,0,0,0,0|2,0,0]=4 10665 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CO 7a_100000066265_100009815848 [0,2,0,0,0,0|2,0,0]=4 10666 B18R2.101667 OCC(O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011219619 [0,2,0,0,0,0|2,0,0]=4 10667 B18R2.101667 OCC(O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011219619 [0,2,0,0,0,0|2,0,0]=4 10668 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011219619 [0,2,0,0,0,0|1,0,0]=3 10669 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011219619 [0,2,0,0,0,0|1,0,0]=3 10670 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011219619 [0,2,0,0,0,0|1,0,0]=3 10671 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011219619 [0,2,0,0,0,0|1,0,0]=3 10672 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011219619 [0,2,0,0,0,0|1,0,0]=3 10673 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100011219619 [0,2,0,0,0,0|1,0,0]=3 10674 B18R2.101667 OCC(O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011219619 [0,2,0,0,0,0|2,0,0]=4 10675 B18R2.101667 OCC(O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100011219619 [0,2,0,0,0,0|2,0,0]=4 10676 B18R2.101667 OCC(O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011219619 [0,2,0,0,0,0|2,0,0]=4 10677 B18R2.101667 OCC(O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011219619 [0,2,0,0,0,0|2,0,0]=4 10678 B18R2.101667 OCC(O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011219619 [0,2,0,0,0,0|2,0,0]=4 10679 B18R2.101667 OCC(O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100011219619 [0,2,0,0,0,0|2,0,0]=4 10680 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100011219619_100012344972 [0,2,0,0,0,0|1,1,0]=4 10681 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011219619 [0,2,0,0,0,0|1,1,0]=4 10682 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100011219619 [0,2,0,0,0,0|1,1,0]=4 10683 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)F 62a_100011219619_100009817052 [0,2,0,0,0,0|1,1,0]=4 10684 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)O 62a_100011219619_100000185455 [0,2,0,0,0,0|1,1,0]=4 10685 B18R2.101667 OC[C@H](O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100009815848 [0,2,0,0,0,0|2,0,0]=4 10686 B18R2.101667 OC[C@H](O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100009815848 [0,2,0,0,0,0|2,0,0]=4 10687 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100009815848 [0,2,0,0,0,0|1,0,0]=3 10688 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100009815848 [0,2,0,0,0,0|1,0,0]=3 10689 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009815848 [0,2,0,0,0,0|1,0,0]=3 10690 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009815848 [0,2,0,0,0,0|1,0,0]=3 10691 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009815848 [0,2,0,0,0,0|1,0,0]=3 10692 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100009815848 [0,2,0,0,0,0|1,0,0]=3 10693 B18R2.101667 OC[C@H](O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100009815848 [0,2,0,0,0,0|2,0,0]=4 10694 B18R2.101667 OC[C@H](O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100009815848 [0,2,0,0,0,0|2,0,0]=4 10695 B18R2.101667 OC[C@H](O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009815848 [0,2,0,0,0,0|2,0,0]=4 10696 B18R2.101667 OC[C@H](O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009815848 [0,2,0,0,0,0|2,0,0]=4 10697 B18R2.101667 OC[C@H](O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100009815848 [0,2,0,0,0,0|2,0,0]=4 10698 B18R2.101667 OC[C@H](O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100009815848 [0,2,0,0,0,0|2,0,0]=4 10699 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)Br 62a_100009815848_100012344972 [0,2,0,0,0,0|1,1,0]=4 10700 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100009815848 [0,2,0,0,0,0|1,1,0]=4 10701 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)F 62a_100009815848_100009817052 [0,2,0,0,0,0|1,1,0]=4 10702 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100009815848 [0,2,0,0,0,0|1,1,0]=4 10703 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)O 62a_100009815848_100000185455 [0,2,0,0,0,0|1,1,0]=4 10704 B18R2.101667 O[C@@H](CF)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015614560 [0,2,0,0,0,0|2,0,0]=4 10705 B18R2.101667 O[C@@H](CF)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015614560 [0,2,0,0,0,0|2,0,0]=4 10706 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100015614560 [0,2,0,0,0,0|1,0,0]=3 10707 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100015614560 [0,2,0,0,0,0|1,0,0]=3 10708 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015614560 [0,2,0,0,0,0|1,0,0]=3 10709 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015614560 [0,2,0,0,0,0|1,0,0]=3 10710 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)F 34a_100009847029_100015614560 [0,2,0,0,0,0|1,0,0]=3 10711 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)F 7a_100009847029_100015614560 [0,2,0,0,0,0|1,0,0]=3 10712 B18R2.101667 O[C@@H](CF)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100015614560 [0,2,0,0,0,0|2,0,0]=4 10713 B18R2.101667 O[C@@H](CF)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100015614560 [0,2,0,0,0,0|2,0,0]=4 10714 B18R2.101667 O[C@@H](CF)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015614560 [0,2,0,0,0,0|2,0,0]=4 10715 B18R2.101667 O[C@@H](CF)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015614560 [0,2,0,0,0,0|2,0,0]=4 10716 B18R2.101667 O[C@@H](CF)COc1cnc2cc(ccc2c1)F 34a_100012184162_100015614560 [0,2,0,0,0,0|2,0,0]=4 10717 B18R2.101667 O[C@@H](CF)COc1cnc2cc(ccc2c1)F 7a_100012184162_100015614560 [0,2,0,0,0,0|2,0,0]=4 10718 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100015614560 [0,2,0,0,0,0|1,1,0]=4 10719 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)Br 62a_100015614560_100012344972 [0,2,0,0,0,0|1,1,0]=4 10720 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100015614560 [0,2,0,0,0,0|1,1,0]=4 10721 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)F 62a_100015614560_100009817052 [0,2,0,0,0,0|1,1,0]=4 10722 B18R2.101667 Oc1ccc2cc(ccc2c1)SC[C@@H](O)CF 62a_100015614560_100000185455 [0,2,0,0,0,0|1,1,0]=4 10723 B18R2.697339 C=CC(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000730141 [0,2,0,0,0,0|1,0,1]=4 10724 B18R2.697339 C=CC(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000730141 [0,2,0,0,0,0|1,0,1]=4 10725 B18R2.697339 CC(CO)CNc1ccc2c(ccnc2c1)Cl 27a_100000744482_100009996786 [0,2,0,0,0,0|2,0,0]=4 10726 B18R2.697339 CCC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000747405 [0,2,0,0,0,0|1,0,1]=4 10727 B18R2.697339 CCC(C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000748023 [0,2,0,0,0,0|1,0,0]=3 10728 B18R2.697339 CCC(C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000748023 [0,2,0,0,0,0|1,0,0]=3 10729 B18R2.697339 CCC(C)CNc1ccc2c(ccnc2c1)Cl 27a_100020588543_100009996786 [0,2,0,0,0,0|2,0,0]=4 10730 B18R2.697339 CCC(C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000748023 [0,2,0,0,0,0|1,0,0]=3 10731 B18R2.697339 CCC(C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000748023 [0,2,0,0,0,0|1,0,0]=3 10732 B18R2.697339 CCC(C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000748023 [0,2,0,0,0,0|1,0,0]=3 10733 B18R2.697339 CCC(C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000748023 [0,2,0,0,0,0|1,0,0]=3 10734 B18R2.697339 CCC(C)COc1ccc2c(cccc2c1)N 34a_100000034668_100000748023 [0,2,0,0,0,0|0,0,0]=2 10735 B18R2.697339 CCC(C)COc1ccc2c(cccc2c1)N 7a_100000034668_100000748023 [0,2,0,0,0,0|0,0,0]=2 10736 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000748023 [0,2,0,0,0,0|1,0,0]=3 10737 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000748023 [0,2,0,0,0,0|1,0,0]=3 10738 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)C 34a_200009854145_100000748023 [0,2,0,0,0,0|1,0,0]=3 10739 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)C 7a_200009854145_100000748023 [0,2,0,0,0,0|1,0,0]=3 10740 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000748023 [0,2,0,0,0,0|1,0,0]=3 10741 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000748023 [0,2,0,0,0,0|1,0,0]=3 10742 B18R2.697339 CCC(C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000748023 [0,2,0,0,0,0|1,0,0]=3 10743 B18R2.697339 CCC(C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000748023 [0,2,0,0,0,0|1,0,0]=3 10744 B18R2.697339 CCC(C)COc1cnc2c(cccc2c1)F 34a_100012184956_100000748023 [0,2,0,0,0,0|1,0,0]=3 10745 B18R2.697339 CCC(C)COc1cnc2c(cccc2c1)F 7a_100012184956_100000748023 [0,2,0,0,0,0|1,0,0]=3 10746 B18R2.697339 CCC(C)CSc1ccc2c(=O)ccoc2c1 62a_100000748023_100010062221 [0,2,0,0,0,0|1,1,0]=4 10747 B18R2.697339 CCC(C)CSc1ccc2c(cccc2c1)N 62a_100000748023_100010090037 [0,2,0,0,0,0|0,1,0]=3 10748 B18R2.697339 CCC(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000748023 [0,2,0,0,0,0|0,1,0]=3 10749 B18R2.697339 CCC(C)CSc1ccc2c(cccc2c1)O 62a_100000748023_100010202202 [0,2,0,0,0,0|0,1,0]=3 10750 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)C 62a_100000748023_100010132309 [0,2,0,0,0,0|1,1,0]=4 10751 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)C 62a_100010132309_100000748023 [0,2,0,0,0,0|1,1,0]=4 10752 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100000748023 [0,2,0,0,0,0|1,1,0]=4 10753 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)O 62a_100000748023_100000756855 [0,2,0,0,0,0|1,1,0]=4 10754 B18R2.697339 CCC(C)CSc1ccc2c(nccc2c1)N 62a_100000732483_100000748023 [0,2,0,0,0,0|1,1,0]=4 10755 B18R2.697339 CCC(C)CSc1ccc2c(nccc2c1)N 62a_100000748023_100000732483 [0,2,0,0,0,0|1,1,0]=4 10756 B18R2.697339 CCC(C)CSc1ccc2c(nccc2c1)O 62a_100000748023_100000760485 [0,2,0,0,0,0|1,1,0]=4 10757 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)C 62a_100000748023_100009829671 [0,2,0,0,0,0|1,1,0]=4 10758 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)F 62a_100000049890_100000748023 [0,2,0,0,0,0|1,1,0]=4 10759 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)F 62a_100000748023_100000049890 [0,2,0,0,0,0|1,1,0]=4 10760 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)N 62a_100000748023_100000702407 [0,2,0,0,0,0|1,1,0]=4 10761 B18R2.697339 CCC(O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011218378 [0,2,0,0,0,0|2,0,0]=4 10762 B18R2.697339 CCC(O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100011218378 [0,2,0,0,0,0|2,0,0]=4 10763 B18R2.697339 CCC(O)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011218378 [0,2,0,0,0,0|2,0,0]=4 10764 B18R2.697339 CCC(O)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100011218378 [0,2,0,0,0,0|2,0,0]=4 10765 B18R2.697339 CCC(O)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100011218378 [0,2,0,0,0,0|2,0,0]=4 10766 B18R2.697339 CCC(O)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100011218378 [0,2,0,0,0,0|2,0,0]=4 10767 B18R2.697339 CCC(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100011218378 [0,2,0,0,0,0|1,0,0]=3 10768 B18R2.697339 CCC(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100011218378 [0,2,0,0,0,0|1,0,0]=3 10769 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011218378 [0,2,0,0,0,0|2,0,0]=4 10770 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100011218378 [0,2,0,0,0,0|2,0,0]=4 10771 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)C 34a_200009854145_100011218378 [0,2,0,0,0,0|2,0,0]=4 10772 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)C 7a_200009854145_100011218378 [0,2,0,0,0,0|2,0,0]=4 10773 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011218378 [0,2,0,0,0,0|2,0,0]=4 10774 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011218378 [0,2,0,0,0,0|2,0,0]=4 10775 B18R2.697339 CCC(O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011218378 [0,2,0,0,0,0|2,0,0]=4 10776 B18R2.697339 CCC(O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100011218378 [0,2,0,0,0,0|2,0,0]=4 10777 B18R2.697339 CCC(O)COc1cnc2c(cccc2c1)F 34a_100012184956_100011218378 [0,2,0,0,0,0|2,0,0]=4 10778 B18R2.697339 CCC(O)COc1cnc2c(cccc2c1)F 7a_100012184956_100011218378 [0,2,0,0,0,0|2,0,0]=4 10779 B18R2.697339 CCC(O)CSc1ccc2c(cccc2c1)N 62a_100010090037_100011218378 [0,2,0,0,0,0|1,1,0]=4 10780 B18R2.697339 CCC(O)CSc1ccc2c(cccc2c1)N 62a_100011218378_100010090037 [0,2,0,0,0,0|1,1,0]=4 10781 B18R2.697339 CCC(O)CSc1ccc2c(cccc2c1)O 62a_100011218378_100010202202 [0,2,0,0,0,0|1,1,0]=4 10782 B18R2.697339 CC[C@H](C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100009816398 [0,2,0,0,0,0|1,0,0]=3 10783 B18R2.697339 CC[C@H](C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100009816398 [0,2,0,0,0,0|1,0,0]=3 10784 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100009816398 [0,2,0,0,0,0|1,0,0]=3 10785 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100009816398 [0,2,0,0,0,0|1,0,0]=3 10786 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100009816398 [0,2,0,0,0,0|1,0,0]=3 10787 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100009816398 [0,2,0,0,0,0|1,0,0]=3 10788 B18R2.697339 CC[C@H](C)COc1ccc2c(cccc2c1)N 34a_100000034668_100009816398 [0,2,0,0,0,0|0,0,0]=2 10789 B18R2.697339 CC[C@H](C)COc1ccc2c(cccc2c1)N 7a_100000034668_100009816398 [0,2,0,0,0,0|0,0,0]=2 10790 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100009816398 [0,2,0,0,0,0|1,0,0]=3 10791 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100009816398 [0,2,0,0,0,0|1,0,0]=3 10792 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)C 34a_200009854145_100009816398 [0,2,0,0,0,0|1,0,0]=3 10793 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)C 7a_200009854145_100009816398 [0,2,0,0,0,0|1,0,0]=3 10794 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009816398 [0,2,0,0,0,0|1,0,0]=3 10795 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009816398 [0,2,0,0,0,0|1,0,0]=3 10796 B18R2.697339 CC[C@H](C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100009816398 [0,2,0,0,0,0|1,0,0]=3 10797 B18R2.697339 CC[C@H](C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100009816398 [0,2,0,0,0,0|1,0,0]=3 10798 B18R2.697339 CC[C@H](C)COc1cnc2c(cccc2c1)F 34a_100012184956_100009816398 [0,2,0,0,0,0|1,0,0]=3 10799 B18R2.697339 CC[C@H](C)COc1cnc2c(cccc2c1)F 7a_100012184956_100009816398 [0,2,0,0,0,0|1,0,0]=3 10800 B18R2.697339 CC[C@H](C)CSc1ccc2c(=O)ccoc2c1 62a_100009816398_100010062221 [0,2,0,0,0,0|1,1,0]=4 10801 B18R2.697339 CC[C@H](C)CSc1ccc2c(cccc2c1)N 62a_100009816398_100010090037 [0,2,0,0,0,0|0,1,0]=3 10802 B18R2.697339 CC[C@H](C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100009816398 [0,2,0,0,0,0|0,1,0]=3 10803 B18R2.697339 CC[C@H](C)CSc1ccc2c(cccc2c1)O 62a_100009816398_100010202202 [0,2,0,0,0,0|0,1,0]=3 10804 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)C 62a_100009816398_100010132309 [0,2,0,0,0,0|1,1,0]=4 10805 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)C 62a_100010132309_100009816398 [0,2,0,0,0,0|1,1,0]=4 10806 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100009816398 [0,2,0,0,0,0|1,1,0]=4 10807 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)O 62a_100009816398_100000756855 [0,2,0,0,0,0|1,1,0]=4 10808 B18R2.697339 CC[C@H](C)CSc1ccc2c(nccc2c1)N 62a_100000732483_100009816398 [0,2,0,0,0,0|1,1,0]=4 10809 B18R2.697339 CC[C@H](C)CSc1ccc2c(nccc2c1)N 62a_100009816398_100000732483 [0,2,0,0,0,0|1,1,0]=4 10810 B18R2.697339 CC[C@H](C)CSc1ccc2c(nccc2c1)O 62a_100009816398_100000760485 [0,2,0,0,0,0|1,1,0]=4 10811 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)C 62a_100009816398_100009829671 [0,2,0,0,0,0|1,1,0]=4 10812 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)F 62a_100000049890_100009816398 [0,2,0,0,0,0|1,1,0]=4 10813 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)F 62a_100009816398_100000049890 [0,2,0,0,0,0|1,1,0]=4 10814 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)N 62a_100009816398_100000702407 [0,2,0,0,0,0|1,1,0]=4 10815 B18R2.697339 CNC(=O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000183359 [0,2,0,0,0,0|1,0,1]=4 10816 B18R2.697339 CNC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000183359 [0,2,0,0,0,0|1,0,1]=4 10817 B18R2.697339 COC(=O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000747449 [0,2,0,0,0,0|1,0,1]=4 10818 B18R2.697339 COC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000747449 [0,2,0,0,0,0|1,0,1]=4 10819 B18R2.697339 CO[C@H](C)CNc1ccc2c(ccnc2c1)Cl 27a_100020591295_100009996786 [0,2,0,0,0,0|2,0,0]=4 10820 B18R2.697339 C[C@@H](CO)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000059175 [0,2,0,0,0,0|1,0,0]=3 10821 B18R2.697339 C[C@@H](CO)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000059175 [0,2,0,0,0,0|1,0,0]=3 10822 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000059175 [0,2,0,0,0,0|1,0,0]=3 10823 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000059175 [0,2,0,0,0,0|1,0,0]=3 10824 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000059175 [0,2,0,0,0,0|1,0,0]=3 10825 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000059175 [0,2,0,0,0,0|1,0,0]=3 10826 B18R2.697339 C[C@@H](CO)COc1ccc2c(cccc2c1)N 34a_100000034668_100000059175 [0,2,0,0,0,0|0,0,0]=2 10827 B18R2.697339 C[C@@H](CO)COc1ccc2c(cccc2c1)N 7a_100000034668_100000059175 [0,2,0,0,0,0|0,0,0]=2 10828 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000059175 [0,2,0,0,0,0|1,0,0]=3 10829 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000059175 [0,2,0,0,0,0|1,0,0]=3 10830 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000059175 [0,2,0,0,0,0|1,0,0]=3 10831 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000059175 [0,2,0,0,0,0|1,0,0]=3 10832 B18R2.697339 C[C@@H](CO)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000059175 [0,2,0,0,0,0|1,0,0]=3 10833 B18R2.697339 C[C@@H](CO)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000059175 [0,2,0,0,0,0|1,0,0]=3 10834 B18R2.697339 C[C@@H](CO)COc1cnc2c(cccc2c1)F 34a_100012184956_100000059175 [0,2,0,0,0,0|1,0,0]=3 10835 B18R2.697339 C[C@@H](CO)COc1cnc2c(cccc2c1)F 7a_100012184956_100000059175 [0,2,0,0,0,0|1,0,0]=3 10836 B18R2.697339 C[C@@H](CO)CSc1ccc2c(=O)ccoc2c1 62a_100000059175_100010062221 [0,2,0,0,0,0|1,1,0]=4 10837 B18R2.697339 C[C@@H](CO)CSc1ccc2c(cccc2c1)N 62a_100000059175_100010090037 [0,2,0,0,0,0|0,1,0]=3 10838 B18R2.697339 C[C@@H](CO)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000059175 [0,2,0,0,0,0|0,1,0]=3 10839 B18R2.697339 C[C@@H](CO)CSc1ccc2c(cccc2c1)O 62a_100000059175_100010202202 [0,2,0,0,0,0|0,1,0]=3 10840 B18R2.697339 C[C@@H](CO)CSc1ccc2c(ccnc2c1)Cl 62a_100000059175_100009996786 [0,2,0,0,0,0|1,1,0]=4 10841 B18R2.697339 C[C@@H](CO)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000059175 [0,2,0,0,0,0|1,1,0]=4 10842 B18R2.697339 C[C@@H](CO)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100000059175 [0,2,0,0,0,0|1,1,0]=4 10843 B18R2.697339 C[C@@H](CO)CSc1ccc2c(ccnc2c1)O 62a_100000059175_100000756855 [0,2,0,0,0,0|1,1,0]=4 10844 B18R2.697339 C[C@@H](CO)CSc1ccc2c(nccc2c1)N 62a_100000059175_100000732483 [0,2,0,0,0,0|1,1,0]=4 10845 B18R2.697339 C[C@@H](CO)CSc1ccc2c(nccc2c1)N 62a_100000732483_100000059175 [0,2,0,0,0,0|1,1,0]=4 10846 B18R2.697339 C[C@@H](CO)CSc1ccc2c(nccc2c1)O 62a_100000059175_100000760485 [0,2,0,0,0,0|1,1,0]=4 10847 B18R2.697339 C[C@@H](CO)CSc1cnc2c(cccc2c1)Br 62a_100000059175_100010204298 [0,2,0,0,0,0|1,1,0]=4 10848 B18R2.697339 C[C@@H](CO)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100000059175 [0,2,0,0,0,0|1,1,0]=4 10849 B18R2.697339 C[C@@H](CO)CSc1cnc2c(cccc2c1)Cl 62a_100000059175_100000759377 [0,2,0,0,0,0|1,1,0]=4 10850 B18R2.697339 C[C@@H](CO)CSc1cnc2c(cccc2c1)F 62a_100000049890_100000059175 [0,2,0,0,0,0|1,1,0]=4 10851 B18R2.697339 C[C@@H](CO)CSc1cnc2c(cccc2c1)F 62a_100000059175_100000049890 [0,2,0,0,0,0|1,1,0]=4 10852 B18R2.697339 C[C@@H](CO)CSc1cnc2c(cccc2c1)N 62a_100000059175_100000702407 [0,2,0,0,0,0|1,1,0]=4 10853 B18R2.697339 Cc1cccc2c1ncc(c2)SC[C@@H](C)CO 62a_100000059175_100009829671 [0,2,0,0,0,0|1,1,0]=4 10854 B18R2.697339 Cc1ccnc2c1ccc(c2)OCC(O)CO 34a_200009854145_100011219619 [0,2,0,0,0,0|2,0,0]=4 10855 B18R2.697339 Cc1ccnc2c1ccc(c2)OCC(O)CO 7a_200009854145_100011219619 [0,2,0,0,0,0|2,0,0]=4 10856 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](C)CO 34a_200009854145_100000059175 [0,2,0,0,0,0|1,0,0]=3 10857 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](C)CO 7a_200009854145_100000059175 [0,2,0,0,0,0|1,0,0]=3 10858 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CF 34a_200009854145_100015614560 [0,2,0,0,0,0|2,0,0]=4 10859 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CF 7a_200009854145_100015614560 [0,2,0,0,0,0|2,0,0]=4 10860 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CO 34a_200009854145_100009815848 [0,2,0,0,0,0|2,0,0]=4 10861 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CO 7a_200009854145_100009815848 [0,2,0,0,0,0|2,0,0]=4 10862 B18R2.697339 Cc1ccnc2c1ccc(c2)SC[C@@H](C)CO 62a_100000059175_100010132309 [0,2,0,0,0,0|1,1,0]=4 10863 B18R2.697339 Cc1ccnc2c1ccc(c2)SC[C@@H](C)CO 62a_100010132309_100000059175 [0,2,0,0,0,0|1,1,0]=4 10864 B18R2.697339 Nc1cccc2c1ccc(c2)OCC(O)CO 34a_100000034668_100011219619 [0,2,0,0,0,0|1,0,0]=3 10865 B18R2.697339 Nc1cccc2c1ccc(c2)OCC(O)CO 7a_100000034668_100011219619 [0,2,0,0,0,0|1,0,0]=3 10866 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CF 34a_100000034668_100015614560 [0,2,0,0,0,0|1,0,0]=3 10867 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CF 7a_100000034668_100015614560 [0,2,0,0,0,0|1,0,0]=3 10868 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CO 34a_100000034668_100009815848 [0,2,0,0,0,0|1,0,0]=3 10869 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CO 7a_100000034668_100009815848 [0,2,0,0,0,0|1,0,0]=3 10870 B18R2.697339 Nc1cccc2c1ccc(c2)SCC(O)CO 62a_100010090037_100011219619 [0,2,0,0,0,0|1,1,0]=4 10871 B18R2.697339 Nc1cccc2c1ccc(c2)SCC(O)CO 62a_100011219619_100010090037 [0,2,0,0,0,0|1,1,0]=4 10872 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CF 62a_100010090037_100015614560 [0,2,0,0,0,0|1,1,0]=4 10873 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CF 62a_100015614560_100010090037 [0,2,0,0,0,0|1,1,0]=4 10874 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CO 62a_100009815848_100010090037 [0,2,0,0,0,0|1,1,0]=4 10875 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CO 62a_100010090037_100009815848 [0,2,0,0,0,0|1,1,0]=4 10876 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OCC(O)CO 34a_100009857879_100011219619 [0,2,0,0,0,0|2,0,0]=4 10877 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OCC(O)CO 7a_100009857879_100011219619 [0,2,0,0,0,0|2,0,0]=4 10878 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CF 34a_100009857879_100015614560 [0,2,0,0,0,0|2,0,0]=4 10879 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CF 7a_100009857879_100015614560 [0,2,0,0,0,0|2,0,0]=4 10880 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CO 34a_100009857879_100009815848 [0,2,0,0,0,0|2,0,0]=4 10881 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CO 7a_100009857879_100009815848 [0,2,0,0,0,0|2,0,0]=4 10882 B18R2.697339 O=c1ccoc2c1ccc(c2)OCC(O)CO 34a_200000065989_100011219619 [0,2,0,0,0,0|2,0,0]=4 10883 B18R2.697339 O=c1ccoc2c1ccc(c2)OCC(O)CO 7a_200000065989_100011219619 [0,2,0,0,0,0|2,0,0]=4 10884 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CF 34a_200000065989_100015614560 [0,2,0,0,0,0|2,0,0]=4 10885 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CF 7a_200000065989_100015614560 [0,2,0,0,0,0|2,0,0]=4 10886 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CO 34a_200000065989_100009815848 [0,2,0,0,0,0|2,0,0]=4 10887 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CO 7a_200000065989_100009815848 [0,2,0,0,0,0|2,0,0]=4 10888 B18R2.697339 OCC(O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011219619 [0,2,0,0,0,0|2,0,0]=4 10889 B18R2.697339 OCC(O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100011219619 [0,2,0,0,0,0|2,0,0]=4 10890 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011219619 [0,2,0,0,0,0|2,0,0]=4 10891 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100011219619 [0,2,0,0,0,0|2,0,0]=4 10892 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011219619 [0,2,0,0,0,0|2,0,0]=4 10893 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011219619 [0,2,0,0,0,0|2,0,0]=4 10894 B18R2.697339 OCC(O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011219619 [0,2,0,0,0,0|2,0,0]=4 10895 B18R2.697339 OCC(O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100011219619 [0,2,0,0,0,0|2,0,0]=4 10896 B18R2.697339 OCC(O)COc1cnc2c(cccc2c1)F 34a_100012184956_100011219619 [0,2,0,0,0,0|2,0,0]=4 10897 B18R2.697339 OCC(O)COc1cnc2c(cccc2c1)F 7a_100012184956_100011219619 [0,2,0,0,0,0|2,0,0]=4 10898 B18R2.697339 OCC(O)CSc1ccc2c(cccc2c1)O 62a_100011219619_100010202202 [0,2,0,0,0,0|1,1,0]=4 10899 B18R2.697339 OC[C@H](O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100009815848 [0,2,0,0,0,0|2,0,0]=4 10900 B18R2.697339 OC[C@H](O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100009815848 [0,2,0,0,0,0|2,0,0]=4 10901 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100009815848 [0,2,0,0,0,0|2,0,0]=4 10902 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100009815848 [0,2,0,0,0,0|2,0,0]=4 10903 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009815848 [0,2,0,0,0,0|2,0,0]=4 10904 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009815848 [0,2,0,0,0,0|2,0,0]=4 10905 B18R2.697339 OC[C@H](O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100009815848 [0,2,0,0,0,0|2,0,0]=4 10906 B18R2.697339 OC[C@H](O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100009815848 [0,2,0,0,0,0|2,0,0]=4 10907 B18R2.697339 OC[C@H](O)COc1cnc2c(cccc2c1)F 34a_100012184956_100009815848 [0,2,0,0,0,0|2,0,0]=4 10908 B18R2.697339 OC[C@H](O)COc1cnc2c(cccc2c1)F 7a_100012184956_100009815848 [0,2,0,0,0,0|2,0,0]=4 10909 B18R2.697339 OC[C@H](O)CSc1ccc2c(cccc2c1)O 62a_100009815848_100010202202 [0,2,0,0,0,0|1,1,0]=4 10910 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100015614560 [0,2,0,0,0,0|2,0,0]=4 10911 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100015614560 [0,2,0,0,0,0|2,0,0]=4 10912 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015614560 [0,2,0,0,0,0|2,0,0]=4 10913 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015614560 [0,2,0,0,0,0|2,0,0]=4 10914 B18R2.697339 O[C@@H](CF)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100015614560 [0,2,0,0,0,0|2,0,0]=4 10915 B18R2.697339 O[C@@H](CF)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100015614560 [0,2,0,0,0,0|2,0,0]=4 10916 B18R2.697339 O[C@@H](CF)COc1cnc2c(cccc2c1)F 34a_100012184956_100015614560 [0,2,0,0,0,0|2,0,0]=4 10917 B18R2.697339 O[C@@H](CF)COc1cnc2c(cccc2c1)F 7a_100012184956_100015614560 [0,2,0,0,0,0|2,0,0]=4 10918 B18R2.697339 Oc1cccc2c1ccc(c2)NC[C@@H](O)CF 34a_100000035793_100015614560 [0,2,0,0,0,0|2,0,0]=4 10919 B18R2.697339 Oc1cccc2c1ccc(c2)NC[C@@H](O)CF 7a_100000035793_100015614560 [0,2,0,0,0,0|2,0,0]=4 10920 B18R2.697339 Oc1cccc2c1ccc(c2)SC[C@@H](O)CF 62a_100015614560_100010202202 [0,2,0,0,0,0|1,1,0]=4 10921 B18R2.727 C=C(C)COc1cc2ccccc2cc1C#N 34a_100009851763_100000748629 [0,2,0,0,0,0|0,0,2]=4 10922 B18R2.727 C=C(C)COc1cc2ccccc2cc1C#N 7a_100009851763_100000748629 [0,2,0,0,0,0|0,0,2]=4 10923 B18R2.727 C=C(C)COc1cc2ccccc2cc1OC 34a_200011203880_100000748629 [0,2,0,0,0,0|0,0,2]=4 10924 B18R2.727 C=C(C)COc1cc2ccccc2cc1OC 7a_200011203880_100000748629 [0,2,0,0,0,0|0,0,2]=4 10925 B18R2.727 CC(C)CNc1nc2ccccc2cc1C#N 27a_100000210953_100015207123 [0,2,0,0,0,0|2,0,0]=4 10926 B18R2.727 CC(C)CNc1nc2ccccc2cc1CO 27a_100000210953_100000754719 [0,2,0,0,0,0|2,0,0]=4 10927 B18R2.727 CC(C)COc1cc2ccccc2cc1C#N 34a_100009851763_100000210624 [0,2,0,0,0,0|0,0,0]=2 10928 B18R2.727 CC(C)COc1cc2ccccc2cc1C#N 7a_100009851763_100000210760 [0,2,0,0,0,0|0,0,0]=2 10929 B18R2.727 CC(C)CSc1nc2ccccc2cc1C#N 62a_100000210624_100015207123 [0,2,0,0,0,0|1,1,0]=4 10930 B18R2.727 CC(C)CSc1nc2ccccc2cc1C=O 62a_100000210624_100000183649 [0,2,0,0,0,0|1,1,0]=4 10931 B18R2.727 CC(C)CSc1nc2ccccc2cc1CO 62a_100000210624_100000754719 [0,2,0,0,0,0|1,1,0]=4 10932 B18R2.727 CC(O)COc1cc2ccccc2cc1C#N 34a_100009851763_100011218427 [0,2,0,0,0,0|1,0,0]=3 10933 B18R2.727 CC(O)COc1cc2ccccc2cc1C#N 7a_100009851763_100011218427 [0,2,0,0,0,0|1,0,0]=3 10934 B18R2.727 CCc1cc2ccccc2nc1NCC(C)C 27a_100000210953_100011829826 [0,2,0,0,0,0|2,0,0]=4 10935 B18R2.727 CCc1cc2ccccc2nc1SCC(C)C 62a_100000210624_100011829826 [0,2,0,0,0,0|1,1,0]=4 10936 B18R2.727 COc1cc2ccccc2cc1C=CC(C)C 271570a_100016257149_100009817100 [0,2,0,0,0,0|1,0,1]=4 10937 B18R2.727 COc1cc2ccccc2cc1CNC(C)C 207a_100138425928_100000118225 [0,2,0,0,0,0|2,0,0]=4 10938 B18R2.727 COc1cc2ccccc2cc1COC(C)C 34a_200000067032_100000210206 [0,2,0,0,0,0|2,0,0]=4 10939 B18R2.727 COc1cc2ccccc2cc1COC(C)C 7a_200000067032_100000210206 [0,2,0,0,0,0|2,0,0]=4 10940 B18R2.727 COc1cc2ccccc2cc1OCC(C)C 34a_200011203880_100000210624 [0,2,0,0,0,0|0,0,0]=2 10941 B18R2.727 COc1cc2ccccc2cc1OCC(C)C 7a_200011203880_100000210760 [0,2,0,0,0,0|0,0,0]=2 10942 B18R2.727 COc1cc2ccccc2cc1OCC(C)O 34a_200011203880_100011218427 [0,2,0,0,0,0|1,0,0]=3 10943 B18R2.727 COc1cc2ccccc2cc1OCC(C)O 7a_200011203880_100011218427 [0,2,0,0,0,0|1,0,0]=3 10944 B18R2.727 COc1cc2ccccc2cc1OCC(F)F 34a_200011203880_100011934356 [0,2,0,0,0,0|2,0,0]=4 10945 B18R2.727 COc1cc2ccccc2cc1OCC(F)F 7a_200011203880_100011934356 [0,2,0,0,0,0|2,0,0]=4 10946 B18R2.727 COc1cc2ccccc2cc1OC[C@@H](C)O 34a_200011203880_100009817552 [0,2,0,0,0,0|1,0,0]=3 10947 B18R2.727 COc1cc2ccccc2cc1OC[C@@H](C)O 7a_200011203880_100009817552 [0,2,0,0,0,0|1,0,0]=3 10948 B18R2.727 COc1cc2ccccc2cc1SCC(C)C 62a_100000210624_100009817100 [0,2,0,0,0,0|0,1,0]=3 10949 B18R2.727 COc1cc2ccccc2cc1SCC(C)C 62a_100009817100_100000210760 [0,2,0,0,0,0|0,1,0]=3 10950 B18R2.727 COc1cc2ccccc2cc1SCC(C)O 62a_100009817100_100011218427 [0,2,0,0,0,0|1,1,0]=4 10951 B18R2.727 COc1cc2ccccc2cc1SCC(C)O 62a_100011218427_100009817100 [0,2,0,0,0,0|1,1,0]=4 10952 B18R2.727 COc1cc2ccccc2cc1SC[C@@H](C)O 62a_100009817100_100009817552 [0,2,0,0,0,0|1,1,0]=4 10953 B18R2.727 COc1cc2ccccc2cc1SC[C@@H](C)O 62a_100009817552_100009817100 [0,2,0,0,0,0|1,1,0]=4 10954 B18R2.727 COc1cc2cccnc2cc1SCC(C)C 62a_100000210624_100011093944 [0,2,0,0,0,0|1,1,0]=4 10955 B18R2.727 COc1cc2cccnc2cc1SCC(C)C 62a_100011093944_100000210760 [0,2,0,0,0,0|1,1,0]=4 10956 B18R2.727 COc1cc2ccncc2cc1SCC(C)C 62a_100000210624_100010990640 [0,2,0,0,0,0|1,1,0]=4 10957 B18R2.727 COc1cc2ccncc2cc1SCC(C)C 62a_100010990640_100000210760 [0,2,0,0,0,0|1,1,0]=4 10958 B18R2.727 COc1cc2ncccc2cc1SCC(C)C 62a_100000210624_100020706834 [0,2,0,0,0,0|1,1,0]=4 10959 B18R2.727 COc1cc2ncccc2cc1SCC(C)C 62a_100020706834_100000210760 [0,2,0,0,0,0|1,1,0]=4 10960 B18R2.727 COc1nc2ccccc2cc1SCC(C)C 62a_100000210624_100009820890 [0,2,0,0,0,0|1,1,0]=4 10961 B18R2.727 COc1nc2ccccc2cc1SCC(C)C 62a_100009820890_100000210760 [0,2,0,0,0,0|1,1,0]=4 10962 B18R2.727 C[C@@H](O)COc1cc2ccccc2cc1C#N 34a_100009851763_100009817552 [0,2,0,0,0,0|1,0,0]=3 10963 B18R2.727 C[C@@H](O)COc1cc2ccccc2cc1C#N 7a_100009851763_100009817552 [0,2,0,0,0,0|1,0,0]=3 10964 B18R2.727 N#Cc1cc2ccccc2cc1OCC(F)F 34a_100009851763_100011934356 [0,2,0,0,0,0|2,0,0]=4 10965 B18R2.727 N#Cc1cc2ccccc2cc1OCC(F)F 7a_100009851763_100011934356 [0,2,0,0,0,0|2,0,0]=4 10966 B18R2.6152 CC(C)(C)C=Cc1cc2ccccc2cc1N 271570a_100102527731_100009991566 [0,2,0,0,0,0|1,0,1]=4 10967 B18R2.6152 CC(C)(C)C=Cc1cc2ccccc2cc1O 271570a_100102527731_100009817189 [0,2,0,0,0,0|1,0,1]=4 10968 B18R2.6152 CC(C)(C)COc1cc2ccccc2cc1N 34a_106744474703_100011219605 [0,2,0,0,0,0|0,0,0]=2 10969 B18R2.6152 CC(C)(C)COc1cc2ccccc2nc1Cl 34a_200000100762_100011219605 [0,2,0,0,0,0|1,0,0]=3 10970 B18R2.6152 CC(C)(C)COc1cc2cccnc2cc1Br 34a_200010153759_100011219605 [0,2,0,0,0,0|1,0,0]=3 10971 B18R2.6152 CC(C)(C)CSc1cc2ccccc2cc1N 62a_100009991566_100011219605 [0,2,0,0,0,0|0,1,0]=3 10972 B18R2.6152 CC(C)(C)CSc1cc2ccccc2cc1N 62a_100011219605_100009991566 [0,2,0,0,0,0|0,1,0]=3 10973 B18R2.6152 CC(C)(C)CSc1cc2ccccc2cc1O 62a_100011219605_100009817189 [0,2,0,0,0,0|0,1,0]=3 10974 B18R2.6152 CC(C)(C)CSc1cc2ccccc2nc1F 62a_100011158909_100011219605 [0,2,0,0,0,0|1,1,0]=4 10975 B18R2.6152 CC(C)(C)CSc1cc2ccccc2nc1F 62a_100011219605_100011158909 [0,2,0,0,0,0|1,1,0]=4 10976 B18R2.6152 CC(C)(C)CSc1cc2ccccc2nc1N 62a_100010135404_100011219605 [0,2,0,0,0,0|1,1,0]=4 10977 B18R2.6152 CC(C)(C)CSc1cc2ccccc2nc1O 62a_100011219605_200009820883 [0,2,0,0,0,0|1,1,0]=4 10978 B18R2.6152 CC(C)(C)CSc1cc2ccccc2oc1=O 62a_100011219605_200000187772 [0,2,0,0,0,0|1,1,0]=4 10979 B18R2.6152 CC(C)(C)CSc1cc2cccnc2cc1F 62a_100009854028_100011219605 [0,2,0,0,0,0|1,1,0]=4 10980 B18R2.6152 CC(C)(C)CSc1cc2cccnc2cc1F 62a_100011219605_100009854028 [0,2,0,0,0,0|1,1,0]=4 10981 B18R2.6152 CC(C)(C)CSc1cc2ccncc2cc1F 62a_100011105921_100011219605 [0,2,0,0,0,0|1,1,0]=4 10982 B18R2.6152 CC(C)(C)CSc1cc2ccncc2cc1F 62a_100011219605_100011105921 [0,2,0,0,0,0|1,1,0]=4 10983 B18R2.6152 CC(C)(C)CSc1cc2cnccc2cc1F 62a_100010244713_100011219605 [0,2,0,0,0,0|1,1,0]=4 10984 B18R2.6152 CC(C)(C)CSc1cc2cnccc2cc1F 62a_100011219605_100010244713 [0,2,0,0,0,0|1,1,0]=4 10985 B18R2.6152 CC(C)(C)CSc1cc2ncccc2cc1O 62a_100011219605_200010153759 [0,2,0,0,0,0|1,1,0]=4 10986 B18R2.6152 CC(C)(C)CSc1nc2ccccc2cc1O 62a_100011219605_200000100762 [0,2,0,0,0,0|1,1,0]=4 10987 B18R2.6152 CC(C)(F)CNc1cc2ccccc2cc1Br 34a_100009991566_100011997219 [0,2,0,0,0,0|1,0,0]=3 10988 B18R2.6152 CC(C)(F)COc1cc2ccccc2cc1Br 34a_100009817189_100011997219 [0,2,0,0,0,0|0,0,0]=2 10989 B18R2.6152 CC(C)(F)COc1cc2ccccc2cc1N 34a_106744474703_100011997219 [0,2,0,0,0,0|0,0,0]=2 10990 B18R2.6152 CC(C)(F)COc1cc2ccccc2nc1Cl 34a_200000100762_100011997219 [0,2,0,0,0,0|1,0,0]=3 10991 B18R2.6152 CC(C)(F)COc1cc2cccnc2cc1Br 34a_200010153759_100011997219 [0,2,0,0,0,0|1,0,0]=3 10992 B18R2.6152 CC(C)(F)CSc1cc2ccccc2cc1N 62a_100009991566_100011997219 [0,2,0,0,0,0|0,1,0]=3 10993 B18R2.6152 CC(C)(F)CSc1cc2ccccc2cc1N 62a_100011997219_100009991566 [0,2,0,0,0,0|0,1,0]=3 10994 B18R2.6152 CC(C)(F)CSc1cc2ccccc2cc1O 62a_100011997219_100009817189 [0,2,0,0,0,0|0,1,0]=3 10995 B18R2.6152 CC(C)(F)CSc1cc2ccccc2nc1Cl 62a_100011997219_100010220712 [0,2,0,0,0,0|1,1,0]=4 10996 B18R2.6152 CC(C)(F)CSc1cc2ccccc2nc1F 62a_100011158909_100011997219 [0,2,0,0,0,0|1,1,0]=4 10997 B18R2.6152 CC(C)(F)CSc1cc2ccccc2nc1F 62a_100011997219_100011158909 [0,2,0,0,0,0|1,1,0]=4 10998 B18R2.6152 CC(C)(F)CSc1cc2ccccc2nc1N 62a_100010135404_100011997219 [0,2,0,0,0,0|1,1,0]=4 10999 B18R2.6152 CC(C)(F)CSc1cc2ccccc2nc1O 62a_100011997219_200009820883 [0,2,0,0,0,0|1,1,0]=4 11000 B18R2.6152 CC(C)(F)CSc1cc2ccccc2oc1=O 62a_100011997219_200000187772 [0,2,0,0,0,0|1,1,0]=4 11001 B18R2.6152 CC(C)(F)CSc1cc2cccnc2cc1F 62a_100009854028_100011997219 [0,2,0,0,0,0|1,1,0]=4 11002 B18R2.6152 CC(C)(F)CSc1cc2cccnc2cc1F 62a_100011997219_100009854028 [0,2,0,0,0,0|1,1,0]=4 11003 B18R2.6152 CC(C)(F)CSc1cc2ccncc2cc1F 62a_100011105921_100011997219 [0,2,0,0,0,0|1,1,0]=4 11004 B18R2.6152 CC(C)(F)CSc1cc2ccncc2cc1F 62a_100011997219_100011105921 [0,2,0,0,0,0|1,1,0]=4 11005 B18R2.6152 CC(C)(F)CSc1cc2cnccc2cc1F 62a_100010244713_100011997219 [0,2,0,0,0,0|1,1,0]=4 11006 B18R2.6152 CC(C)(F)CSc1cc2cnccc2cc1F 62a_100011997219_100010244713 [0,2,0,0,0,0|1,1,0]=4 11007 B18R2.6152 CC(C)(F)CSc1cc2ncccc2cc1O 62a_100011997219_200010153759 [0,2,0,0,0,0|1,1,0]=4 11008 B18R2.6152 CC(C)(F)CSc1nc2ccccc2cc1Br 62a_100010072790_100011997219 [0,2,0,0,0,0|1,1,0]=4 11009 B18R2.6152 CC(C)(F)CSc1nc2ccccc2cc1Br 62a_100011997219_100010072790 [0,2,0,0,0,0|1,1,0]=4 11010 B18R2.6152 CC(C)(F)CSc1nc2ccccc2cc1O 62a_100011997219_200000100762 [0,2,0,0,0,0|1,1,0]=4 11011 B18R2.6152 CC(C)(O)C=Cc1cc2ccccc2cc1Br 271570a_200016258132_200010169544 [0,2,0,0,0,0|1,0,1]=4 11012 B18R2.6152 CC(C)(O)C=Cc1cc2ccccc2cc1Cl 271570a_200016258132_100010152806 [0,2,0,0,0,0|1,0,1]=4 11013 B18R2.6152 CC(C)(O)C=Cc1cc2ccccc2cc1N 271570a_200016258132_100009991566 [0,2,0,0,0,0|1,0,1]=4 11014 B18R2.6152 CC(C)(O)C=Cc1cc2ccccc2cc1O 271570a_200016258132_100009817189 [0,2,0,0,0,0|1,0,1]=4 11015 B18R2.6152 CC(C)(O)CNc1cc2ccccc2cc1Br 34a_100009991566_100000764493 [0,2,0,0,0,0|1,0,0]=3 11016 B18R2.6152 CC(C)(O)CNc1cc2ccccc2cc1Br 7a_100009991566_100000764493 [0,2,0,0,0,0|1,0,0]=3 11017 B18R2.6152 CC(C)(O)COc1cc2ccccc2cc1Br 34a_100009817189_100000764493 [0,2,0,0,0,0|0,0,0]=2 11018 B18R2.6152 CC(C)(O)COc1cc2ccccc2cc1Br 7a_100009817189_100000764493 [0,2,0,0,0,0|0,0,0]=2 11019 B18R2.6152 CC(C)(O)COc1cc2ccccc2cc1N 34a_106744474703_100000764493 [0,2,0,0,0,0|0,0,0]=2 11020 B18R2.6152 CC(C)(O)COc1cc2ccccc2cc1N 7a_106744474703_100000764493 [0,2,0,0,0,0|0,0,0]=2 11021 B18R2.6152 CC(C)(O)COc1cc2ccccc2nc1Cl 34a_200000100762_100000764493 [0,2,0,0,0,0|1,0,0]=3 11022 B18R2.6152 CC(C)(O)COc1cc2ccccc2nc1Cl 7a_200000100762_100000764493 [0,2,0,0,0,0|1,0,0]=3 11023 B18R2.6152 CC(C)(O)COc1cc2ccccc2oc1=O 7a_100000061252_100000764493 [0,2,0,0,0,0|1,0,0]=3 11024 B18R2.6152 CC(C)(O)COc1cc2cccnc2cc1Br 34a_200010153759_100000764493 [0,2,0,0,0,0|1,0,0]=3 11025 B18R2.6152 CC(C)(O)COc1cc2cccnc2cc1Br 7a_200010153759_100000764493 [0,2,0,0,0,0|1,0,0]=3 11026 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1Br 62a_100000764493_200010169544 [0,2,0,0,0,0|0,1,0]=3 11027 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1Br 62a_200010169544_100000764493 [0,2,0,0,0,0|0,1,0]=3 11028 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1Cl 62a_100000764493_100010152806 [0,2,0,0,0,0|0,1,0]=3 11029 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100000764493 [0,2,0,0,0,0|0,1,0]=3 11030 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1N 62a_100000764493_100009991566 [0,2,0,0,0,0|0,1,0]=3 11031 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1N 62a_100009991566_100000764493 [0,2,0,0,0,0|0,1,0]=3 11032 B18R2.6152 CC(C)(O)CSc1cc2ccccc2cc1O 62a_100000764493_100009817189 [0,2,0,0,0,0|0,1,0]=3 11033 B18R2.6152 CC(C)(O)CSc1cc2ccccc2nc1Cl 62a_100000764493_100010220712 [0,2,0,0,0,0|1,1,0]=4 11034 B18R2.6152 CC(C)(O)CSc1cc2ccccc2nc1F 62a_100000764493_100011158909 [0,2,0,0,0,0|1,1,0]=4 11035 B18R2.6152 CC(C)(O)CSc1cc2ccccc2nc1F 62a_100011158909_100000764493 [0,2,0,0,0,0|1,1,0]=4 11036 B18R2.6152 CC(C)(O)CSc1cc2ccccc2nc1N 62a_100010135404_100000764493 [0,2,0,0,0,0|1,1,0]=4 11037 B18R2.6152 CC(C)(O)CSc1cc2ccccc2nc1O 62a_100000764493_200009820883 [0,2,0,0,0,0|1,1,0]=4 11038 B18R2.6152 CC(C)(O)CSc1cc2ccccc2oc1=O 62a_100000764493_200000187772 [0,2,0,0,0,0|1,1,0]=4 11039 B18R2.6152 CC(C)(O)CSc1cc2cccnc2cc1F 62a_100000764493_100009854028 [0,2,0,0,0,0|1,1,0]=4 11040 B18R2.6152 CC(C)(O)CSc1cc2cccnc2cc1F 62a_100009854028_100000764493 [0,2,0,0,0,0|1,1,0]=4 11041 B18R2.6152 CC(C)(O)CSc1cc2ccncc2cc1F 62a_100000764493_100011105921 [0,2,0,0,0,0|1,1,0]=4 11042 B18R2.6152 CC(C)(O)CSc1cc2ccncc2cc1F 62a_100011105921_100000764493 [0,2,0,0,0,0|1,1,0]=4 11043 B18R2.6152 CC(C)(O)CSc1cc2cnccc2cc1F 62a_100000764493_100010244713 [0,2,0,0,0,0|1,1,0]=4 11044 B18R2.6152 CC(C)(O)CSc1cc2cnccc2cc1F 62a_100010244713_100000764493 [0,2,0,0,0,0|1,1,0]=4 11045 B18R2.6152 CC(C)(O)CSc1cc2ncccc2cc1O 62a_100000764493_200010153759 [0,2,0,0,0,0|1,1,0]=4 11046 B18R2.6152 CC(C)(O)CSc1nc2ccccc2cc1Br 62a_100000764493_100010072790 [0,2,0,0,0,0|1,1,0]=4 11047 B18R2.6152 CC(C)(O)CSc1nc2ccccc2cc1Br 62a_100010072790_100000764493 [0,2,0,0,0,0|1,1,0]=4 11048 B18R2.6152 CC(C)(O)CSc1nc2ccccc2cc1O 62a_100000764493_200000100762 [0,2,0,0,0,0|1,1,0]=4 11049 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1Br 62a_200000036245_200010169544 [0,2,0,0,0,0|1,1,0]=4 11050 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1Br 62a_200010169544_200000036245 [0,2,0,0,0,0|1,1,0]=4 11051 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1Cl 62a_100010152806_200000036245 [0,2,0,0,0,0|1,1,0]=4 11052 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1Cl 62a_200000036245_100010152806 [0,2,0,0,0,0|1,1,0]=4 11053 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1N 62a_100009991566_200000036245 [0,2,0,0,0,0|1,1,0]=4 11054 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1N 62a_200000036245_100009991566 [0,2,0,0,0,0|1,1,0]=4 11055 B18R2.6152 C[N+](C)(C)CSc1cc2ccccc2cc1O 62a_200000036245_100009817189 [0,2,0,0,0,0|1,1,0]=4 11056 B18R2.6152 C[Si](C)(C)CNc1cc2ccccc2cc1Br 7a_100009991566_100000233785 [0,2,0,0,0,0|1,1,0]=4 11057 B18R2.6152 C[Si](C)(C)COc1cc2ccccc2cc1Br 7a_100009817189_100000233785 [0,2,0,0,0,0|0,1,0]=3 11058 B18R2.6152 C[Si](C)(C)COc1cc2ccccc2cc1N 7a_106744474703_100000233785 [0,2,0,0,0,0|0,1,0]=3 11059 B18R2.6152 C[Si](C)(C)COc1cc2ccccc2nc1Cl 7a_200000100762_100000233785 [0,2,0,0,0,0|1,1,0]=4 11060 B18R2.6152 C[Si](C)(C)COc1cc2ccccc2oc1=O 7a_100000061252_100000233785 [0,2,0,0,0,0|1,1,0]=4 11061 B18R2.6152 C[Si](C)(C)COc1cc2cccnc2cc1Br 7a_200010153759_100000233785 [0,2,0,0,0,0|1,1,0]=4 11062 B18R2.6152 C[Si](C)(C)CSc1cc2ccccc2cc1N 62a_100000037933_100009991566 [0,2,0,0,0,0|0,2,0]=4 11063 B18R2.6152 C[Si](C)(C)CSc1cc2ccccc2cc1N 62a_100009991566_100000037933 [0,2,0,0,0,0|0,2,0]=4 11064 B18R2.6152 C[Si](C)(C)CSc1cc2ccccc2cc1O 62a_100000037933_100009817189 [0,2,0,0,0,0|0,2,0]=4 11065 B18R2.6152 Cc1cc2ccccc2cc1OCC(C)(C)C 34a_100000091601_100011219605 [0,2,0,0,0,0|0,0,0]=2 11066 B18R2.6152 Cc1cc2ccccc2cc1OCC(C)(C)F 34a_100000091601_100011997219 [0,2,0,0,0,0|0,0,0]=2 11067 B18R2.6152 Cc1cc2ccccc2cc1OCC(C)(C)O 34a_100000091601_100000764493 [0,2,0,0,0,0|0,0,0]=2 11068 B18R2.6152 Cc1cc2ccccc2cc1OCC(C)(C)O 7a_100000091601_100000764493 [0,2,0,0,0,0|0,0,0]=2 11069 B18R2.6152 Cc1cc2ccccc2cc1OC[Si](C)(C)C 7a_100000091601_100000233785 [0,2,0,0,0,0|0,1,0]=3 11070 B18R2.6152 Cc1cc2ccccc2nc1NCC(C)(C)C 27a_100000743828_100000751756 [0,2,0,0,0,0|2,0,0]=4 11071 B18R2.6152 Cc1cc2ccccc2nc1NCC(C)(C)F 27a_100020643315_100000751756 [0,2,0,0,0,0|2,0,0]=4 11072 B18R2.6152 Cc1cc2ccccc2nc1NCC(C)(C)O 27a_100000751335_100000751756 [0,2,0,0,0,0|2,0,0]=4 11073 B18R2.6152 Cc1cc2ccccc2nc1SCC(C)(C)C 62a_100011219605_100000751756 [0,2,0,0,0,0|1,1,0]=4 11074 B18R2.6152 Cc1cc2ccccc2nc1SCC(C)(C)F 62a_100011997219_100000751756 [0,2,0,0,0,0|1,1,0]=4 11075 B18R2.6152 Cc1cc2ccccc2nc1SCC(C)(C)O 62a_100000764493_100000751756 [0,2,0,0,0,0|1,1,0]=4 11076 B18R2.6152 Cc1cc2ncccc2cc1SCC(C)(C)C 62a_100010137429_100011219605 [0,2,0,0,0,0|1,1,0]=4 11077 B18R2.6152 Cc1cc2ncccc2cc1SCC(C)(C)C 62a_100011219605_100010137429 [0,2,0,0,0,0|1,1,0]=4 11078 B18R2.6152 Cc1cc2ncccc2cc1SCC(C)(C)F 62a_100010137429_100011997219 [0,2,0,0,0,0|1,1,0]=4 11079 B18R2.6152 Cc1cc2ncccc2cc1SCC(C)(C)F 62a_100011997219_100010137429 [0,2,0,0,0,0|1,1,0]=4 11080 B18R2.6152 Cc1cc2ncccc2cc1SCC(C)(C)O 62a_100000764493_100010137429 [0,2,0,0,0,0|1,1,0]=4 11081 B18R2.6152 Cc1cc2ncccc2cc1SCC(C)(C)O 62a_100010137429_100000764493 [0,2,0,0,0,0|1,1,0]=4 11082 B18R2.6152 Cc1nc2ccccc2cc1OCC(C)(C)C 34a_200000079175_100011219605 [0,2,0,0,0,0|1,0,0]=3 11083 B18R2.6152 Cc1nc2ccccc2cc1OCC(C)(C)F 34a_200000079175_100011997219 [0,2,0,0,0,0|1,0,0]=3 11084 B18R2.6152 Cc1nc2ccccc2cc1OCC(C)(C)O 34a_200000079175_100000764493 [0,2,0,0,0,0|1,0,0]=3 11085 B18R2.6152 Cc1nc2ccccc2cc1OCC(C)(C)O 7a_200000079175_100000764493 [0,2,0,0,0,0|1,0,0]=3 11086 B18R2.6152 Cc1nc2ccccc2cc1OC[Si](C)(C)C 7a_200000079175_100000233785 [0,2,0,0,0,0|1,1,0]=4 11087 B18R2.60953 CC(C)CSc1c(c2ccccc2oc1=O)O 62a_100000210624_100009994742 [0,2,0,0,0,0|1,1,0]=4 11088 B18R2.60953 CC(C)CSc1c(cc2ncccc2c1F)F 62a_100000210624_100010163946 [0,2,0,0,0,0|1,1,0]=4 11089 B18R2.60953 CC(C)CSc1c(cc2ncccc2c1F)F 62a_100010163946_100000210760 [0,2,0,0,0,0|1,1,0]=4 11090 B18R2.60953 Cc1c(c(nc2c1cccc2)O)SCC(C)C 62a_100000210624_100009820873 [0,2,0,0,0,0|1,1,0]=4 11091 B18R2.61969 CC(C)CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100000210624 [0,2,0,0,0,0|1,0,0]=3 11092 B18R2.61969 CC(C)CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100000210624 [0,2,0,0,0,0|1,0,0]=3 11093 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2cc1Br 271570a_100015190218_200010169544 [0,2,0,0,0,0|1,0,0]=3 11094 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2cc1Cl 271570a_100015190218_100010152806 [0,2,0,0,0,0|1,0,0]=3 11095 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2cc1N 271570a_100015190218_100009991566 [0,2,0,0,0,0|1,0,0]=3 11096 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2cc1O 271570a_100015190218_100009817189 [0,2,0,0,0,0|1,0,0]=3 11097 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2nc1Cl 271570a_100015190218_100010220712 [0,2,0,0,0,0|2,0,0]=4 11098 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2nc1F 271570a_100015190218_100011158909 [0,2,0,0,0,0|2,0,0]=4 11099 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2nc1N 271570a_100015190218_100010135404 [0,2,0,0,0,0|2,0,0]=4 11100 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2nc1O 271570a_100015190218_200009820883 [0,2,0,0,0,0|2,0,0]=4 11101 B18R2.61969 CC(C)C[C@H](N)c1cc2ccccc2oc1=O 271570a_100015190218_200000187772 [0,2,0,0,0,0|2,0,0]=4 11102 B18R2.61969 CC(C)C[C@H](N)c1cc2cccnc2cc1F 271570a_100015190218_100009854028 [0,2,0,0,0,0|2,0,0]=4 11103 B18R2.61969 CC(C)C[C@H](N)c1cc2ccncc2cc1F 271570a_100015190218_100011105921 [0,2,0,0,0,0|2,0,0]=4 11104 B18R2.61969 CC(C)C[C@H](N)c1cc2cnccc2cc1F 271570a_100015190218_100010244713 [0,2,0,0,0,0|2,0,0]=4 11105 B18R2.61969 CC(C)C[C@H](N)c1cc2ncccc2cc1O 271570a_100015190218_200010153759 [0,2,0,0,0,0|2,0,0]=4 11106 B18R2.61969 CC(C)C[C@H](N)c1nc2ccccc2cc1Br 271570a_100015190218_100010072790 [0,2,0,0,0,0|2,0,0]=4 11107 B18R2.61969 CC(C)C[C@H](N)c1nc2ccccc2cc1O 271570a_100015190218_200000100762 [0,2,0,0,0,0|2,0,0]=4 11108 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1Cl 11a_100138425928_100010003416 [0,2,0,0,0,0|2,0,0]=4 11109 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1Cl 1626a_100138425928_100010003416 [0,2,0,0,0,0|2,0,0]=4 11110 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1Cl 240690a_100138425928_100010003416 [0,2,0,0,0,0|2,0,0]=4 11111 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1Cl 527a_100138425928_100010003416 [0,2,0,0,0,0|2,0,0]=4 11112 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1O 11a_100138425928_100000212107 [0,2,0,0,0,0|2,0,0]=4 11113 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1O 1626a_100138425928_100000212107 [0,2,0,0,0,0|2,0,0]=4 11114 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1O 240690a_100138425928_100000212107 [0,2,0,0,0,0|2,0,0]=4 11115 B18R2.61969 CC(C)NC(=O)c1cc2ccccc2cc1O 527a_100138425928_100000212107 [0,2,0,0,0,0|2,0,0]=4 11116 B18R2.61969 CC(O)CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100011218427 [0,2,0,0,0,0|2,0,0]=4 11117 B18R2.61969 CC(O)CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100011218427 [0,2,0,0,0,0|2,0,0]=4 11118 B18R2.61969 Cc1cc2ccccc2nc1N(C)CC(C)C 27a_100000747067_100000751756 [0,2,0,0,0,0|2,0,0]=4 11119 B18R2.61969 Cc1cc2ccccc2nc1[C@@H](N)CC(C)C 271570a_100015190218_100000751756 [0,2,0,0,0,0|2,0,0]=4 11120 B18R2.61969 Cc1cc2ncccc2cc1[C@@H](N)CC(C)C 271570a_100015190218_100010137429 [0,2,0,0,0,0|2,0,0]=4 11121 B18R2.61970 CC(=O)C(C)Oc1cc2ccccc2cc1Br 7a_100009817189_100000179758 [0,2,0,0,0,0|1,0,1]=4 11122 B18R2.61970 CC(=O)C(C)Oc1cc2ccccc2cc1C 7a_100000091601_100000179758 [0,2,0,0,0,0|1,0,1]=4 11123 B18R2.61970 CC(=O)C(C)Oc1cc2ccccc2cc1N 7a_106744474703_100000179758 [0,2,0,0,0,0|1,0,1]=4 11124 B18R2.61970 CC(C)C(=O)Nc1cc2ccccc2cc1Br 11a_100009991566_100000210198 [0,2,0,0,0,0|1,0,1]=4 11125 B18R2.61970 CC(C)C(=O)Nc1cc2ccccc2cc1Br 1626a_100009991566_100000210198 [0,2,0,0,0,0|1,0,1]=4 11126 B18R2.61970 CC(C)C(=O)Nc1cc2ccccc2cc1I 11a_100009892810_100000210198 [0,2,0,0,0,0|1,0,1]=4 11127 B18R2.61970 CC(C)C(=O)Nc1cc2ccccc2cc1I 1626a_100009892810_100000210198 [0,2,0,0,0,0|1,0,1]=4 11128 B18R2.61970 CC(C)C(=O)Nc1cc2ccccc2cc1O 22a_106744474703_100000210198 [0,2,0,0,0,0|1,0,1]=4 11129 B18R2.61970 CC(C)C(=O)Nc1cc2ccccc2cc1O 527a_106744474703_100000210198 [0,2,0,0,0,0|1,0,1]=4 11130 B18R2.61970 Cc1cc2ccccc2nc1NC(C)C(C)C 27a_100000211541_100000751756 [0,2,0,0,0,0|2,0,0]=4 11131 B18R2.491264 CC(C)C=Cc1cc2ccc(cc2cc1O)O 271570a_100016257149_100010179872 [0,2,0,0,0,0|1,0,1]=4 11132 B18R2.491264 CC(C)CSc1cc2ccc(cc2cc1O)O 62a_100000210624_100010179872 [0,2,0,0,0,0|0,1,0]=3 11133 B18R2.491264 CC(O)CSc1cc2ccc(cc2cc1O)O 62a_100011218427_100010179872 [0,2,0,0,0,0|1,1,0]=4 11134 B18R2.491264 C[C@@H](O)CSc1cc2ccc(cc2cc1O)O 62a_100009817552_100010179872 [0,2,0,0,0,0|1,1,0]=4 11135 B18R2.491338 CC(C)CSc1cc2cc(cnc2cc1F)N 62a_100000210624_100021278121 [0,2,0,0,0,0|1,1,0]=4 11136 B18R2.491338 CC(C)CSc1cc2cc(cnc2cc1F)N 62a_100021278121_100000210760 [0,2,0,0,0,0|1,1,0]=4 11137 B18R2.31385 CC(=O)C(C)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100000179758 [0,2,0,0,0,0|1,0,1]=4 11138 B18R2.31385 CC(=O)C(C)Oc1ccc2ccc(cc2c1)C 7a_100000091598_100000179758 [0,2,0,0,0,0|1,0,1]=4 11139 B18R2.31385 CC(=O)C(C)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100000179758 [0,2,0,0,0,0|1,0,1]=4 11140 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)Br 11a_100010090036_100000210198 [0,2,0,0,0,0|1,0,1]=4 11141 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)Br 1626a_100010090036_100000210198 [0,2,0,0,0,0|1,0,1]=4 11142 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)Br 22a_100010090036_100000210198 [0,2,0,0,0,0|1,0,1]=4 11143 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)Br 527a_100010090036_100000210198 [0,2,0,0,0,0|1,0,1]=4 11144 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)O 1626a_100015378740_100000210198 [0,2,0,0,0,0|1,0,1]=4 11145 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)O 22a_100015378740_100000210198 [0,2,0,0,0,0|1,0,1]=4 11146 B18R2.31385 CC(C)C(=O)Nc1ccc2ccc(cc2c1)O 527a_100015378740_100000210198 [0,2,0,0,0,0|1,0,1]=4 11147 B18R2.31385 CC(C)N(C)Cc1ccc2ccc(cc2c1)Br 270004a_200000211004_100010200085 [0,2,0,0,0,0|2,0,0]=4 11148 B18R2.31781 CC(C)C(=O)N(C)c1ccc2ccccc2c1 11a_100000181211_100000210198 [0,2,0,0,0,0|1,0,1]=4 11149 B18R2.31781 CC(C)C(=O)N(C)c1ccc2ccccc2c1 1626a_100000181211_100000210198 [0,2,0,0,0,0|1,0,1]=4 11150 B18R2.31781 CC(C)C(=O)N(C)c1ccc2ccccc2c1 22a_100000181211_100000210198 [0,2,0,0,0,0|1,0,1]=4 11151 B18R2.31781 CC(C)C(=O)N(C)c1ccc2ccccc2c1 527a_100000181211_100000210198 [0,2,0,0,0,0|1,0,1]=4 11152 B18R2.31781 CC(C)C(C)N(C)c1ccc2ccccc2n1 27a_100000228512_100011291633 [0,2,0,0,0,0|2,0,0]=4 11153 B18R2.31781 CC(C)N(C)C(=O)c1ccc2ccccc2c1 11a_200000211004_100000210637 [0,2,0,0,0,0|2,0,0]=4 11154 B18R2.31781 CC(C)N(C)C(=O)c1ccc2ccccc2c1 1626a_200000211004_100000210637 [0,2,0,0,0,0|2,0,0]=4 11155 B18R2.31781 CC(C)N(C)C(=O)c1ccc2ccccc2c1 240690a_200000211004_100000210637 [0,2,0,0,0,0|2,0,0]=4 11156 B18R2.31781 CC(C)N(C)C(=O)c1ccc2ccccc2c1 527a_200000211004_100000210637 [0,2,0,0,0,0|2,0,0]=4 11157 B18R2.31781 CC(C)N(C)C(C)c1ccc2ccccc2c1 2230a_100000744356_100000210206 [0,2,0,0,0,0|2,0,0]=4 11158 B18R2.31781 CC(C)N(C)C(C)c1ccc2ccccc2c1 269982a_100000744356_100000210206 [0,2,0,0,0,0|2,0,0]=4 11159 B18R2.59534 CC(=O)C(C)Oc1ccc2c(cccc2c1)N 7a_100000034668_100000179758 [0,2,0,0,0,0|1,0,1]=4 11160 B18R2.59534 CC(C)C(=O)Nc1ccc2c(cccc2c1)O 1626a_100000035793_100000210198 [0,2,0,0,0,0|1,0,1]=4 11161 B18R2.59534 CC(C)C(=O)Nc1ccc2c(cccc2c1)O 22a_100000035793_100000210198 [0,2,0,0,0,0|1,0,1]=4 11162 B18R2.59534 CC(C)C(=O)Nc1ccc2c(cccc2c1)O 527a_100000035793_100000210198 [0,2,0,0,0,0|1,0,1]=4 11163 B18R2.59534 CC(C)C(C)Nc1ccc2c(ccnc2c1)Cl 27a_100000211541_100009996786 [0,2,0,0,0,0|2,0,0]=4 11164 B18R2.63529 CC(=O)C(C)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100000179758 [0,2,0,0,0,0|1,0,1]=4 11165 B18R2.63529 CC(C)C(=O)Nc1cc(c2ccccc2c1)Br 11a_100010089974_100000210198 [0,2,0,0,0,0|1,0,1]=4 11166 B18R2.63529 CC(C)C(=O)Nc1cc(c2ccccc2c1)Br 1626a_100010089974_100000210198 [0,2,0,0,0,0|1,0,1]=4 11167 B18R2.63529 CC(C)C(=O)Nc1cc(c2ccccc2c1)Br 22a_100010089974_100000210198 [0,2,0,0,0,0|1,0,1]=4 11168 B18R2.63529 CC(C)C(=O)Nc1cc(c2ccccc2c1)Br 527a_100010089974_100000210198 [0,2,0,0,0,0|1,0,1]=4 11169 B18R2.63529 CC(C)C(C)Nc1cc(c2cnccc2c1)F 27a_100000211541_100011068762 [0,2,0,0,0,0|2,0,0]=4 11170 B18R2.63529 Cc1cc(nc2c1cccc2)NC(C)C(C)C 27a_100000211541_100000184993 [0,2,0,0,0,0|2,0,0]=4 11171 B18R2.72773 CC(C)(C)C(=O)Cc1ccc2ccccc2c1 1458a_106744555173_100011216711 [0,2,0,0,0,0|1,0,1]=4 11172 B18R2.72773 CC(C)(C)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_106744555173 [0,2,0,0,0,0|1,0,1]=4 11173 B18R2.72773 CC(C)(C)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_106744555173 [0,2,0,0,0,0|1,0,1]=4 11174 B18R2.72773 CC(C)(C)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_106744555173 [0,2,0,0,0,0|1,0,1]=4 11175 B18R2.72773 CC(C)(C)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_106744555173 [0,2,0,0,0,0|1,0,1]=4 11176 B18R2.72773 CC(C)(F)C(=O)Cc1ccc2ccccc2c1 1458a_100000765255_100011216711 [0,2,0,0,0,0|1,0,1]=4 11177 B18R2.72773 CC(C)(F)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000765255 [0,2,0,0,0,0|1,0,1]=4 11178 B18R2.72773 CC(C)(F)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000765255 [0,2,0,0,0,0|1,0,1]=4 11179 B18R2.72773 CC(C)(F)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000765255 [0,2,0,0,0,0|1,0,1]=4 11180 B18R2.72773 CC(C)(F)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000765255 [0,2,0,0,0,0|1,0,1]=4 11181 B18R2.72773 CC(C)(O)C(=O)Cc1ccc2ccccc2c1 1458a_100000242741_100011216711 [0,2,0,0,0,0|1,0,1]=4 11182 B18R2.72773 CC(C)(O)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000242741 [0,2,0,0,0,0|1,0,1]=4 11183 B18R2.72773 CN(Cc1ccc2ccccc2c1)C(C)(C)C 269982a_100000185194_100000210625 [0,2,0,0,0,0|2,0,0]=4 11184 B18R2.72773 CN(Cc1ccc2ccccc2c1)C(C)(C)C 269982a_100011215553_100011216711 [0,2,0,0,0,0|2,0,0]=4 11185 B18R2.72773 CN(Cc1ccc2ccccc2c1)C(C)(C)C 270004a_100011215553_100000211584 [0,2,0,0,0,0|2,0,0]=4 11186 B18R2.72773 C[C@@H](Nc1ccc2ccccc2n1)C(C)(C)C 27a_100025703359_100011291633 [0,2,0,0,0,0|2,0,0]=4 11187 B18R2.72773 C[C@H](Nc1ccc2ccccc2n1)C(C)(C)O 27a_100025708725_100011291633 [0,2,0,0,0,0|2,0,0]=4 11188 B18R2.72773 FC(Oc1ccc2ccccc2c1)C(F)(F)F 34a_100000185828_200000036121 [0,2,0,0,0,0|2,0,0]=4 11189 B18R2.78780 CC(C)[C@H](CO)Nc1ccc2ccccc2n1 27a_100011830312_100011291633 [0,2,0,0,0,0|2,0,0]=4 11190 B18R2.78780 CCC(Nc1ccc2ccccc2n1)C(C)C 27a_100000745074_100011291633 [0,2,0,0,0,0|2,0,0]=4 11191 B18R2.78780 CCN(Cc1ccc2ccccc2c1)C(C)C 2230a_100000201282_100000210206 [0,2,0,0,0,0|2,0,0]=4 11192 B18R2.78780 CCN(Cc1ccc2ccccc2c1)C(C)C 2230a_100000223864_100011216711 [0,2,0,0,0,0|2,0,0]=4 11193 B18R2.78780 CCN(Cc1ccc2ccccc2c1)C(C)C 269982a_100000201282_100000210206 [0,2,0,0,0,0|2,0,0]=4 11194 B18R2.78780 CCN(Cc1ccc2ccccc2c1)C(C)C 269982a_100000223864_100011216711 [0,2,0,0,0,0|2,0,0]=4 11195 B18R2.78780 CCN(Cc1ccc2ccccc2c1)C(C)C 270004a_100000223864_100000211584 [0,2,0,0,0,0|2,0,0]=4 11196 B18R2.282513 CC(=O)C(C)Oc1ccc2ccccc2c1Br 7a_100000183829_100000179758 [0,2,0,0,0,0|1,0,1]=4 11197 B18R2.282513 CC(=O)C(C)Oc1ccc2ccccc2c1C 7a_100009830054_100000179758 [0,2,0,0,0,0|1,0,1]=4 11198 B18R2.282513 CC(=O)C(C)Oc1ccc2ccccc2c1Cl 7a_100000029778_100000179758 [0,2,0,0,0,0|1,0,1]=4 11199 B18R2.282513 CC(=O)C(C)Oc1ccc2ccccc2c1I 7a_100000041551_100000179758 [0,2,0,0,0,0|1,0,1]=4 11200 B18R2.282513 CC(=O)C(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000179758 [0,2,0,0,0,0|1,0,1]=4 11201 B18R2.282513 CC(C)C(=O)Cc1ccc2ccccc2c1Br 1458a_100000210198_100009813938 [0,2,0,0,0,0|1,0,1]=4 11202 B18R2.282513 CC(C)C(=O)Nc1ccc2ccccc2c1Br 11a_100000705303_100000210198 [0,2,0,0,0,0|1,0,1]=4 11203 B18R2.282513 CC(C)C(=O)Nc1ccc2ccccc2c1Br 1626a_100000705303_100000210198 [0,2,0,0,0,0|1,0,1]=4 11204 B18R2.282513 CC(C)C(=O)Nc1ccc2ccccc2c1Cl 11a_100000075557_100000210198 [0,2,0,0,0,0|1,0,1]=4 11205 B18R2.282513 CC(C)C(=O)Nc1ccc2ccccc2c1Cl 1626a_100000075557_100000210198 [0,2,0,0,0,0|1,0,1]=4 11206 B18R2.282513 CC(C)C(=O)Nc1ccc2ccccc2c1O 22a_100000007060_100000210198 [0,2,0,0,0,0|1,0,1]=4 11207 B18R2.282513 CC(C)C(=O)Nc1ccc2ccccc2c1O 527a_100000007060_100000210198 [0,2,0,0,0,0|1,0,1]=4 11208 B18R2.282513 CC(C)N(C)Cc1ccc2ccccc2c1Br 269982a_200000211004_100009813938 [0,2,0,0,0,0|2,0,0]=4 11209 B18R2.282513 CC(C)N(C)Cc1ccc2ccccc2c1Br 270004a_200000211004_100009813496 [0,2,0,0,0,0|2,0,0]=4 11210 B18R2.339507 CC(=O)C(C)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100000179758 [0,2,0,0,0,0|1,0,1]=4 11211 B18R2.339507 CC(=O)C(C)Oc1ccc2cc(ccc2c1)C 7a_100000074090_100000179758 [0,2,0,0,0,0|1,0,1]=4 11212 B18R2.339507 CC(=O)C(C)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000179758 [0,2,0,0,0,0|1,0,1]=4 11213 B18R2.339507 CC(=O)C(C)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100000179758 [0,2,0,0,0,0|1,0,1]=4 11214 B18R2.339507 CC(C)C(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000210198_100012356510 [0,2,0,0,0,0|1,0,1]=4 11215 B18R2.339507 CC(C)C(=O)Nc1ccc2cc(ccc2c1)Br 11a_100000185457_100000210198 [0,2,0,0,0,0|1,0,1]=4 11216 B18R2.339507 CC(C)C(=O)Nc1ccc2cc(ccc2c1)Br 1626a_100000185457_100000210198 [0,2,0,0,0,0|1,0,1]=4 11217 B18R2.339507 CC(C)C(=O)Nc1ccc2cc(ccc2c1)Br 22a_100000185457_100000210198 [0,2,0,0,0,0|1,0,1]=4 11218 B18R2.339507 CC(C)C(=O)Nc1ccc2cc(ccc2c1)Br 527a_100000185457_100000210198 [0,2,0,0,0,0|1,0,1]=4 11219 B18R2.339507 CC(C)C(C)Nc1ccc2cc(ccc2n1)F 27a_100000211541_100011998705 [0,2,0,0,0,0|2,0,0]=4 11220 B18R2.339507 CC(C)C(C)Nc1ccc2cc(cnc2c1)Br 27a_100000211541_200015509644 [0,2,0,0,0,0|2,0,0]=4 11221 B18R2.339507 CC(C)N(C)Cc1ccc2cc(ccc2c1)Br 269982a_200000211004_100012356510 [0,2,0,0,0,0|2,0,0]=4 11222 B18R2.339507 CC(C)N(C)Cc1ccc2cc(ccc2c1)Br 270004a_200000211004_100012356508 [0,2,0,0,0,0|2,0,0]=4 11223 B18R2.339507 CC(C)N(C)Cc1ccc2cc(ccc2c1)O 270004a_200000211004_100000067190 [0,2,0,0,0,0|2,0,0]=4 11224 B18R2.339507 Cc1ccc2nc(ccc2c1)NC(C)C(C)C 27a_100000211541_100011865911 [0,2,0,0,0,0|2,0,0]=4 11225 B18R2.483954 CC(=O)C(C)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100000179758 [0,2,0,0,0,0|1,0,1]=4 11226 B18R2.483954 CC(=O)C(C)Oc1ccc2cccc(c2c1)C 7a_200000091600_100000179758 [0,2,0,0,0,0|1,0,1]=4 11227 B18R2.483954 CC(=O)C(C)Oc1ccc2cccc(c2c1)F 7a_100000091619_100000179758 [0,2,0,0,0,0|1,0,1]=4 11228 B18R2.483954 CC(=O)C(C)Oc1ccc2cccc(c2c1)N 7a_100000034012_100000179758 [0,2,0,0,0,0|1,0,1]=4 11229 B18R2.483954 CC(C)C(=O)Nc1ccc2cccc(c2c1)O 1626a_100132313934_100000210198 [0,2,0,0,0,0|1,0,1]=4 11230 B18R2.483954 CC(C)C(=O)Nc1ccc2cccc(c2c1)O 22a_100132313934_100000210198 [0,2,0,0,0,0|1,0,1]=4 11231 B18R2.483954 CC(C)C(=O)Nc1ccc2cccc(c2c1)O 527a_100132313934_100000210198 [0,2,0,0,0,0|1,0,1]=4 11232 B18R2.483954 CC(C)C(C)Nc1ccc2cccc(c2n1)O 27a_100000211541_100010153751 [0,2,0,0,0,0|2,0,0]=4 11233 B18R2.483954 Cc1cccc2c1nc(cc2)NC(C)C(C)C 27a_100000211541_100012002297 [0,2,0,0,0,0|2,0,0]=4 11234 B18R2.559985 CC(=O)C(C)(C)Oc1ccc2ccccc2c1 1458a_100015185512_200000210301 [0,2,0,0,0,0|1,0,1]=4 11235 B18R2.559985 CC(=O)C(C)(C)Oc1ccc2ccccc2c1 7a_100000185828_100000075568 [0,2,0,0,0,0|1,0,1]=4 11236 B18R2.559985 CC(C)(Oc1ccc2ccccc2c1)C(=O)[13CH3] 1458a_100015185512_200025704644 [0,2,0,0,0,0|1,0,1]=4 11237 B18R2.559985 CC(C)S(=O)(=O)Nc1ccc2ccccc2c1 20a_100000211940_100000742656 [0,2,0,0,0,0|2,0,0]=4 11238 B18R2.559985 CC(C)S(=O)(=O)Nc1ccc2ccccc2c1 232682a_100000211940_100000742656 [0,2,0,0,0,0|2,0,0]=4 11239 B18R2.559985 CN(C)C(C)(C)Sc1ccc2ccccc2c1 62a_217856628674_100000233703 [0,2,0,0,0,0|1,1,0]=4 11240 B18R2.559985 FC(F)C(F)(F)Oc1ccc2ccccc2c1 34a_100000185828_100000034128 [0,2,0,0,0,0|2,0,0]=4 11241 B18R2.72713 CC(C)(C)NC(=O)c1ccc2ccccc2c1 11a_100000715429_100000210637 [0,2,0,0,0,0|2,0,0]=4 11242 B18R2.72713 CC(C)(C)NC(=O)c1ccc2ccccc2c1 1626a_100000715429_100000210637 [0,2,0,0,0,0|2,0,0]=4 11243 B18R2.72713 CC(C)(C)NC(=O)c1ccc2ccccc2c1 240690a_100000715429_100000210637 [0,2,0,0,0,0|2,0,0]=4 11244 B18R2.72713 CC(C)(C)NC(=O)c1ccc2ccccc2c1 527a_100000715429_100000210637 [0,2,0,0,0,0|2,0,0]=4 11245 B18R2.72713 CC(OC(C)(C)C)c1ccc2ccccc2c1 34a_100011215343_100000210625 [0,2,0,0,0,0|2,0,0]=4 11246 B18R2.72713 CN(CC(C)(C)C)c1ccc2ccccc2c1 34a_100000181211_100011219605 [0,2,0,0,0,0|1,0,0]=3 11247 B18R2.72713 CN(CC(C)(C)C)c1ccc2ccccc2n1 27a_100000742839_100011291633 [0,2,0,0,0,0|2,0,0]=4 11248 B18R2.72713 CN(CC(C)(C)F)c1ccc2ccccc2c1 34a_100000181211_100011997219 [0,2,0,0,0,0|1,0,0]=3 11249 B18R2.72713 CN(CC(C)(C)O)c1ccc2ccccc2c1 34a_100000181211_100000764493 [0,2,0,0,0,0|1,0,0]=3 11250 B18R2.72713 CN(CC(C)(C)O)c1ccc2ccccc2n1 27a_100000755907_100011291633 [0,2,0,0,0,0|2,0,0]=4 11251 B18R2.72713 CN(C[N+](C)(C)C)c1ccc2ccccc2c1 269982a_100000181211_200000036245 [0,2,0,0,0,0|2,0,0]=4 11252 B18R2.72713 CN(C[Si](C)(C)C)c1ccc2ccccc2c1 2230a_100000181211_100000037933 [0,2,0,0,0,0|1,1,0]=4 11253 B18R2.72713 C[Si](C)(C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000233785 [0,2,0,0,0,0|1,1,0]=4 11254 B18R2.273426 CC(C)(C)C=Cc1ccc2ccc(cc2c1)N 271570a_100102527731_100010090036 [0,2,0,0,0,0|1,0,1]=4 11255 B18R2.273426 CC(C)(C)C=Cc1ccc2ccc(cc2c1)O 271570a_100102527731_100009816537 [0,2,0,0,0,0|1,0,1]=4 11256 B18R2.273426 CC(C)(C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011219605 [0,2,0,0,0,0|1,0,0]=3 11257 B18R2.273426 CC(C)(C)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011219605 [0,2,0,0,0,0|2,0,0]=4 11258 B18R2.273426 CC(C)(C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011219605 [0,2,0,0,0,0|1,0,0]=3 11259 B18R2.273426 CC(C)(C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100011219605 [0,2,0,0,0,0|1,0,0]=3 11260 B18R2.273426 CC(C)(C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100011219605 [0,2,0,0,0,0|0,0,0]=2 11261 B18R2.273426 CC(C)(C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011219605 [0,2,0,0,0,0|1,0,0]=3 11262 B18R2.273426 CC(C)(C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011219605 [0,2,0,0,0,0|1,0,0]=3 11263 B18R2.273426 CC(C)(C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011219605 [0,2,0,0,0,0|1,0,0]=3 11264 B18R2.273426 CC(C)(C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011219605 [0,2,0,0,0,0|1,0,0]=3 11265 B18R2.273426 CC(C)(C)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011219605 [0,2,0,0,0,0|2,0,0]=4 11266 B18R2.273426 CC(C)(C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011219605 [0,2,0,0,0,0|1,0,0]=3 11267 B18R2.273426 CC(C)(C)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100011219605 [0,2,0,0,0,0|1,1,0]=4 11268 B18R2.273426 CC(C)(C)CSc1cc2cc(ccc2cn1)F 62a_100011219605_100009828686 [0,2,0,0,0,0|1,1,0]=4 11269 B18R2.273426 CC(C)(C)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100011219605_100009816120 [0,2,0,0,0,0|1,1,0]=4 11270 B18R2.273426 CC(C)(C)CSc1ccc2ccc(=O)oc2c1 62a_100011219605_100009993525 [0,2,0,0,0,0|1,1,0]=4 11271 B18R2.273426 CC(C)(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100011219605 [0,2,0,0,0,0|0,1,0]=3 11272 B18R2.273426 CC(C)(C)CSc1ccc2ccc(cc2c1)N 62a_100011219605_100010090036 [0,2,0,0,0,0|0,1,0]=3 11273 B18R2.273426 CC(C)(C)CSc1ccc2ccc(cc2c1)O 62a_100011219605_100009816537 [0,2,0,0,0,0|0,1,0]=3 11274 B18R2.273426 CC(C)(C)CSc1ccc2ccc(cc2n1)O 62a_100011219605_100000079174 [0,2,0,0,0,0|1,1,0]=4 11275 B18R2.273426 CC(C)(C)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100011219605 [0,2,0,0,0,0|1,1,0]=4 11276 B18R2.273426 CC(C)(C)CSc1ccc2ccc(nc2c1)O 62a_100011219605_100000690401 [0,2,0,0,0,0|1,1,0]=4 11277 B18R2.273426 CC(C)(C)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100011219605 [0,2,0,0,0,0|1,1,0]=4 11278 B18R2.273426 CC(C)(C)CSc1ccc2cnc(cc2c1)F 62a_100011219605_100010291885 [0,2,0,0,0,0|1,1,0]=4 11279 B18R2.273426 CC(C)(C)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100011219605 [0,2,0,0,0,0|1,1,0]=4 11280 B18R2.273426 CC(C)(C)CSc1ccc2cnc(cc2c1)N 62a_100011219605_100009817123 [0,2,0,0,0,0|1,1,0]=4 11281 B18R2.273426 CC(C)(C)CSc1ccc2cnc(cc2c1)O 62a_100011219605_100009817130 [0,2,0,0,0,0|1,1,0]=4 11282 B18R2.273426 CC(C)(C)CSc1ccc2ncc(cc2c1)O 62a_100011219605_100000703654 [0,2,0,0,0,0|1,1,0]=4 11283 B18R2.273426 CC(C)(C)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100011219605 [0,2,0,0,0,0|1,1,0]=4 11284 B18R2.273426 CC(C)(C)CSc1cnc2ccc(cc2c1)N 62a_100011219605_100009888932 [0,2,0,0,0,0|1,1,0]=4 11285 B18R2.273426 CC(C)(C)CSc1cnc2ccc(cc2c1)O 62a_100011219605_100010137430 [0,2,0,0,0,0|1,1,0]=4 11286 B18R2.273426 CC(C)(C)NCc1ccc2ccc(cc2c1)Br 207a_100000715429_100010200085 [0,2,0,0,0,0|2,0,0]=4 11287 B18R2.273426 CC(C)(F)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011997219 [0,2,0,0,0,0|1,0,0]=3 11288 B18R2.273426 CC(C)(F)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011997219 [0,2,0,0,0,0|1,0,0]=3 11289 B18R2.273426 CC(C)(F)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011997219 [0,2,0,0,0,0|2,0,0]=4 11290 B18R2.273426 CC(C)(F)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011997219 [0,2,0,0,0,0|1,0,0]=3 11291 B18R2.273426 CC(C)(F)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100011997219 [0,2,0,0,0,0|1,0,0]=3 11292 B18R2.273426 CC(C)(F)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011997219 [0,2,0,0,0,0|0,0,0]=2 11293 B18R2.273426 CC(C)(F)COc1ccc2ccc(cc2c1)N 34a_100015378740_100011997219 [0,2,0,0,0,0|0,0,0]=2 11294 B18R2.273426 CC(C)(F)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011997219 [0,2,0,0,0,0|1,0,0]=3 11295 B18R2.273426 CC(C)(F)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011997219 [0,2,0,0,0,0|1,0,0]=3 11296 B18R2.273426 CC(C)(F)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011997219 [0,2,0,0,0,0|1,0,0]=3 11297 B18R2.273426 CC(C)(F)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011997219 [0,2,0,0,0,0|1,0,0]=3 11298 B18R2.273426 CC(C)(F)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011997219 [0,2,0,0,0,0|2,0,0]=4 11299 B18R2.273426 CC(C)(F)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011997219 [0,2,0,0,0,0|1,0,0]=3 11300 B18R2.273426 CC(C)(F)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100011997219 [0,2,0,0,0,0|1,1,0]=4 11301 B18R2.273426 CC(C)(F)CSc1cc2cc(ccc2cn1)F 62a_100011997219_100009828686 [0,2,0,0,0,0|1,1,0]=4 11302 B18R2.273426 CC(C)(F)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100011997219_100009816120 [0,2,0,0,0,0|1,1,0]=4 11303 B18R2.273426 CC(C)(F)CSc1ccc2ccc(=O)oc2c1 62a_100011997219_100009993525 [0,2,0,0,0,0|1,1,0]=4 11304 B18R2.273426 CC(C)(F)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100011997219 [0,2,0,0,0,0|0,1,0]=3 11305 B18R2.273426 CC(C)(F)CSc1ccc2ccc(cc2c1)N 62a_100011997219_100010090036 [0,2,0,0,0,0|0,1,0]=3 11306 B18R2.273426 CC(C)(F)CSc1ccc2ccc(cc2c1)O 62a_100011997219_100009816537 [0,2,0,0,0,0|0,1,0]=3 11307 B18R2.273426 CC(C)(F)CSc1ccc2ccc(cc2n1)O 62a_100011997219_100000079174 [0,2,0,0,0,0|1,1,0]=4 11308 B18R2.273426 CC(C)(F)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100011997219 [0,2,0,0,0,0|1,1,0]=4 11309 B18R2.273426 CC(C)(F)CSc1ccc2ccc(nc2c1)O 62a_100011997219_100000690401 [0,2,0,0,0,0|1,1,0]=4 11310 B18R2.273426 CC(C)(F)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100011997219 [0,2,0,0,0,0|1,1,0]=4 11311 B18R2.273426 CC(C)(F)CSc1ccc2cnc(cc2c1)F 62a_100011997219_100010291885 [0,2,0,0,0,0|1,1,0]=4 11312 B18R2.273426 CC(C)(F)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100011997219 [0,2,0,0,0,0|1,1,0]=4 11313 B18R2.273426 CC(C)(F)CSc1ccc2cnc(cc2c1)N 62a_100011997219_100009817123 [0,2,0,0,0,0|1,1,0]=4 11314 B18R2.273426 CC(C)(F)CSc1ccc2cnc(cc2c1)O 62a_100011997219_100009817130 [0,2,0,0,0,0|1,1,0]=4 11315 B18R2.273426 CC(C)(F)CSc1ccc2ncc(cc2c1)Br 62a_100011997219_200010254249 [0,2,0,0,0,0|1,1,0]=4 11316 B18R2.273426 CC(C)(F)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011997219 [0,2,0,0,0,0|1,1,0]=4 11317 B18R2.273426 CC(C)(F)CSc1ccc2ncc(cc2c1)O 62a_100011997219_100000703654 [0,2,0,0,0,0|1,1,0]=4 11318 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011997219 [0,2,0,0,0,0|1,1,0]=4 11319 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)Br 62a_100011997219_100010740133 [0,2,0,0,0,0|1,1,0]=4 11320 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)Cl 62a_100011997219_100015929906 [0,2,0,0,0,0|1,1,0]=4 11321 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011997219 [0,2,0,0,0,0|1,1,0]=4 11322 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100011997219 [0,2,0,0,0,0|1,1,0]=4 11323 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)N 62a_100011997219_100009888932 [0,2,0,0,0,0|1,1,0]=4 11324 B18R2.273426 CC(C)(F)CSc1cnc2ccc(cc2c1)O 62a_100011997219_100010137430 [0,2,0,0,0,0|1,1,0]=4 11325 B18R2.273426 CC(C)(O)C=Cc1ccc2ccc(cc2c1)N 271570a_200016258132_100010090036 [0,2,0,0,0,0|1,0,1]=4 11326 B18R2.273426 CC(C)(O)C=Cc1ccc2ccc(cc2c1)O 271570a_200016258132_100009816537 [0,2,0,0,0,0|1,0,1]=4 11327 B18R2.273426 CC(C)(O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000764493 [0,2,0,0,0,0|1,0,0]=3 11328 B18R2.273426 CC(C)(O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000764493 [0,2,0,0,0,0|1,0,0]=3 11329 B18R2.273426 CC(C)(O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000764493 [0,2,0,0,0,0|1,0,0]=3 11330 B18R2.273426 CC(C)(O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000764493 [0,2,0,0,0,0|1,0,0]=3 11331 B18R2.273426 CC(C)(O)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000764493 [0,2,0,0,0,0|2,0,0]=4 11332 B18R2.273426 CC(C)(O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000764493 [0,2,0,0,0,0|1,0,0]=3 11333 B18R2.273426 CC(C)(O)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000764493 [0,2,0,0,0,0|1,0,0]=3 11334 B18R2.273426 CC(C)(O)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000764493 [0,2,0,0,0,0|1,0,0]=3 11335 B18R2.273426 CC(C)(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000764493 [0,2,0,0,0,0|0,0,0]=2 11336 B18R2.273426 CC(C)(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000764493 [0,2,0,0,0,0|0,0,0]=2 11337 B18R2.273426 CC(C)(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000764493 [0,2,0,0,0,0|0,0,0]=2 11338 B18R2.273426 CC(C)(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000764493 [0,2,0,0,0,0|0,0,0]=2 11339 B18R2.273426 CC(C)(O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000764493 [0,2,0,0,0,0|1,0,0]=3 11340 B18R2.273426 CC(C)(O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000764493 [0,2,0,0,0,0|1,0,0]=3 11341 B18R2.273426 CC(C)(O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000764493 [0,2,0,0,0,0|1,0,0]=3 11342 B18R2.273426 CC(C)(O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000764493 [0,2,0,0,0,0|1,0,0]=3 11343 B18R2.273426 CC(C)(O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000764493 [0,2,0,0,0,0|1,0,0]=3 11344 B18R2.273426 CC(C)(O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000764493 [0,2,0,0,0,0|1,0,0]=3 11345 B18R2.273426 CC(C)(O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000764493 [0,2,0,0,0,0|1,0,0]=3 11346 B18R2.273426 CC(C)(O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000764493 [0,2,0,0,0,0|1,0,0]=3 11347 B18R2.273426 CC(C)(O)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000764493 [0,2,0,0,0,0|2,0,0]=4 11348 B18R2.273426 CC(C)(O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000764493 [0,2,0,0,0,0|1,0,0]=3 11349 B18R2.273426 CC(C)(O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000764493 [0,2,0,0,0,0|1,0,0]=3 11350 B18R2.273426 CC(C)(O)CSc1cc2cc(ccc2cn1)F 62a_100000764493_100009828686 [0,2,0,0,0,0|1,1,0]=4 11351 B18R2.273426 CC(C)(O)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100000764493 [0,2,0,0,0,0|1,1,0]=4 11352 B18R2.273426 CC(C)(O)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100000764493_100009816120 [0,2,0,0,0,0|1,1,0]=4 11353 B18R2.273426 CC(C)(O)CSc1ccc2ccc(=O)oc2c1 62a_100000764493_100009993525 [0,2,0,0,0,0|1,1,0]=4 11354 B18R2.273426 CC(C)(O)CSc1ccc2ccc(cc2c1)N 62a_100000764493_100010090036 [0,2,0,0,0,0|0,1,0]=3 11355 B18R2.273426 CC(C)(O)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000764493 [0,2,0,0,0,0|0,1,0]=3 11356 B18R2.273426 CC(C)(O)CSc1ccc2ccc(cc2c1)O 62a_100000764493_100009816537 [0,2,0,0,0,0|0,1,0]=3 11357 B18R2.273426 CC(C)(O)CSc1ccc2ccc(cc2n1)O 62a_100000764493_100000079174 [0,2,0,0,0,0|1,1,0]=4 11358 B18R2.273426 CC(C)(O)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100000764493 [0,2,0,0,0,0|1,1,0]=4 11359 B18R2.273426 CC(C)(O)CSc1ccc2ccc(nc2c1)O 62a_100000764493_100000690401 [0,2,0,0,0,0|1,1,0]=4 11360 B18R2.273426 CC(C)(O)CSc1ccc2cnc(cc2c1)F 62a_100000764493_100010291885 [0,2,0,0,0,0|1,1,0]=4 11361 B18R2.273426 CC(C)(O)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100000764493 [0,2,0,0,0,0|1,1,0]=4 11362 B18R2.273426 CC(C)(O)CSc1ccc2cnc(cc2c1)N 62a_100000764493_100009817123 [0,2,0,0,0,0|1,1,0]=4 11363 B18R2.273426 CC(C)(O)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100000764493 [0,2,0,0,0,0|1,1,0]=4 11364 B18R2.273426 CC(C)(O)CSc1ccc2cnc(cc2c1)O 62a_100000764493_100009817130 [0,2,0,0,0,0|1,1,0]=4 11365 B18R2.273426 CC(C)(O)CSc1ccc2ncc(cc2c1)Br 62a_100000764493_200010254249 [0,2,0,0,0,0|1,1,0]=4 11366 B18R2.273426 CC(C)(O)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000764493 [0,2,0,0,0,0|1,1,0]=4 11367 B18R2.273426 CC(C)(O)CSc1ccc2ncc(cc2c1)O 62a_100000764493_100000703654 [0,2,0,0,0,0|1,1,0]=4 11368 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)Br 62a_100000764493_100010740133 [0,2,0,0,0,0|1,1,0]=4 11369 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000764493 [0,2,0,0,0,0|1,1,0]=4 11370 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)Cl 62a_100000764493_100015929906 [0,2,0,0,0,0|1,1,0]=4 11371 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000764493 [0,2,0,0,0,0|1,1,0]=4 11372 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)N 62a_100000764493_100009888932 [0,2,0,0,0,0|1,1,0]=4 11373 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100000764493 [0,2,0,0,0,0|1,1,0]=4 11374 B18R2.273426 CC(C)(O)CSc1cnc2ccc(cc2c1)O 62a_100000764493_100010137430 [0,2,0,0,0,0|1,1,0]=4 11375 B18R2.273426 C[N+](C)(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_200000036245 [0,2,0,0,0,0|1,1,0]=4 11376 B18R2.273426 C[N+](C)(C)CSc1ccc2ccc(cc2c1)N 62a_200000036245_100010090036 [0,2,0,0,0,0|1,1,0]=4 11377 B18R2.273426 C[N+](C)(C)CSc1ccc2ccc(cc2c1)O 62a_200000036245_100009816537 [0,2,0,0,0,0|1,1,0]=4 11378 B18R2.273426 C[Si](C)(C)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000233785 [0,2,0,0,0,0|1,1,0]=4 11379 B18R2.273426 C[Si](C)(C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000233785 [0,2,0,0,0,0|1,1,0]=4 11380 B18R2.273426 C[Si](C)(C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000233785 [0,2,0,0,0,0|1,1,0]=4 11381 B18R2.273426 C[Si](C)(C)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000233785 [0,2,0,0,0,0|0,1,0]=3 11382 B18R2.273426 C[Si](C)(C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000233785 [0,2,0,0,0,0|0,1,0]=3 11383 B18R2.273426 C[Si](C)(C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000233785 [0,2,0,0,0,0|1,1,0]=4 11384 B18R2.273426 C[Si](C)(C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000233785 [0,2,0,0,0,0|1,1,0]=4 11385 B18R2.273426 C[Si](C)(C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000233785 [0,2,0,0,0,0|1,1,0]=4 11386 B18R2.273426 C[Si](C)(C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000233785 [0,2,0,0,0,0|1,1,0]=4 11387 B18R2.273426 C[Si](C)(C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000233785 [0,2,0,0,0,0|1,1,0]=4 11388 B18R2.273426 C[Si](C)(C)CSc1ccc2ccc(cc2c1)N 62a_100000037933_100010090036 [0,2,0,0,0,0|0,2,0]=4 11389 B18R2.273426 C[Si](C)(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000037933 [0,2,0,0,0,0|0,2,0]=4 11390 B18R2.273426 C[Si](C)(C)CSc1ccc2ccc(cc2c1)O 62a_100000037933_100009816537 [0,2,0,0,0,0|0,2,0]=4 11391 B18R2.273426 Cc1ccc2ccc(cc2c1)OCC(C)(C)C 34a_100000091598_100011219605 [0,2,0,0,0,0|0,0,0]=2 11392 B18R2.273426 Cc1ccc2ccc(cc2c1)OCC(C)(C)F 34a_100000091598_100011997219 [0,2,0,0,0,0|0,0,0]=2 11393 B18R2.273426 Cc1ccc2ccc(cc2c1)OCC(C)(C)O 34a_100000091598_100000764493 [0,2,0,0,0,0|0,0,0]=2 11394 B18R2.273426 Cc1ccc2ccc(cc2c1)OCC(C)(C)O 7a_100000091598_100000764493 [0,2,0,0,0,0|0,0,0]=2 11395 B18R2.273426 Cc1ccc2ccc(cc2c1)OC[Si](C)(C)C 7a_100000091598_100000233785 [0,2,0,0,0,0|0,1,0]=3 11396 B18R2.273426 Cc1ccc2ccc(cc2n1)OCC(C)(C)C 34a_100009867695_100011219605 [0,2,0,0,0,0|1,0,0]=3 11397 B18R2.273426 Cc1ccc2ccc(cc2n1)OCC(C)(C)F 34a_100009867695_100011997219 [0,2,0,0,0,0|1,0,0]=3 11398 B18R2.273426 Cc1ccc2ccc(cc2n1)OCC(C)(C)O 34a_100009867695_100000764493 [0,2,0,0,0,0|1,0,0]=3 11399 B18R2.273426 Cc1ccc2ccc(cc2n1)OCC(C)(C)O 7a_100009867695_100000764493 [0,2,0,0,0,0|1,0,0]=3 11400 B18R2.273426 Cc1ccc2ccc(cc2n1)OC[Si](C)(C)C 7a_100009867695_100000233785 [0,2,0,0,0,0|1,1,0]=4 11401 B18R2.273426 Cc1ccc2ccc(cc2n1)SCC(C)(C)C 62a_100009817087_100011219605 [0,2,0,0,0,0|1,1,0]=4 11402 B18R2.273426 Cc1ccc2ccc(cc2n1)SCC(C)(C)C 62a_100011219605_100009817087 [0,2,0,0,0,0|1,1,0]=4 11403 B18R2.273426 Cc1ccc2ccc(cc2n1)SCC(C)(C)F 62a_100009817087_100011997219 [0,2,0,0,0,0|1,1,0]=4 11404 B18R2.273426 Cc1ccc2ccc(cc2n1)SCC(C)(C)F 62a_100011997219_100009817087 [0,2,0,0,0,0|1,1,0]=4 11405 B18R2.273426 Cc1ccc2ccc(cc2n1)SCC(C)(C)O 62a_100000764493_100009817087 [0,2,0,0,0,0|1,1,0]=4 11406 B18R2.273426 Cc1ccc2ccc(cc2n1)SCC(C)(C)O 62a_100009817087_100000764493 [0,2,0,0,0,0|1,1,0]=4 11407 B18R2.273426 Cc1ccc2ncc(cc2c1)SCC(C)(C)C 62a_100011219605_100015841224 [0,2,0,0,0,0|1,1,0]=4 11408 B18R2.273426 Cc1ccc2ncc(cc2c1)SCC(C)(C)F 62a_100011997219_100015841224 [0,2,0,0,0,0|1,1,0]=4 11409 B18R2.273426 Cc1ccc2ncc(cc2c1)SCC(C)(C)O 62a_100000764493_100015841224 [0,2,0,0,0,0|1,1,0]=4 11410 B18R2.273426 Cc1cnc2ccc(cc2c1)SCC(C)(C)C 62a_100011219605_100009817055 [0,2,0,0,0,0|1,1,0]=4 11411 B18R2.273426 Cc1cnc2ccc(cc2c1)SCC(C)(C)F 62a_100011997219_100009817055 [0,2,0,0,0,0|1,1,0]=4 11412 B18R2.273426 Cc1cnc2ccc(cc2c1)SCC(C)(C)O 62a_100000764493_100009817055 [0,2,0,0,0,0|1,1,0]=4 11413 B18R2.273535 CC(C)(C)C=Cc1ccc2cc(ccc2c1)N 271570a_100102527731_100000185457 [0,2,0,0,0,0|1,0,1]=4 11414 B18R2.273535 CC(C)(C)C=Cc1ccc2cc(ccc2c1)O 271570a_100102527731_100000185455 [0,2,0,0,0,0|1,0,1]=4 11415 B18R2.273535 CC(C)(C)CNc1ccc2cc(ccc2n1)F 27a_100000743828_100011998705 [0,2,0,0,0,0|2,0,0]=4 11416 B18R2.273535 CC(C)(C)CNc1ccc2cc(cnc2c1)Br 27a_100000743828_200015509644 [0,2,0,0,0,0|2,0,0]=4 11417 B18R2.273535 CC(C)(C)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011219605 [0,2,0,0,0,0|2,0,0]=4 11418 B18R2.273535 CC(C)(C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011219605 [0,2,0,0,0,0|0,0,0]=2 11419 B18R2.273535 CC(C)(C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011219605 [0,2,0,0,0,0|0,0,0]=2 11420 B18R2.273535 CC(C)(C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011219605 [0,2,0,0,0,0|1,0,0]=3 11421 B18R2.273535 CC(C)(C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011219605 [0,2,0,0,0,0|1,0,0]=3 11422 B18R2.273535 CC(C)(C)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011219605 [0,2,0,0,0,0|2,0,0]=4 11423 B18R2.273535 CC(C)(C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100011219605 [0,2,0,0,0,0|1,0,0]=3 11424 B18R2.273535 CC(C)(C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011219605 [0,2,0,0,0,0|1,0,0]=3 11425 B18R2.273535 CC(C)(C)CSc1ccc2[nH]c(=O)ccc2c1 62a_100011219605_100011934725 [0,2,0,0,0,0|1,1,0]=4 11426 B18R2.273535 CC(C)(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100011219605 [0,2,0,0,0,0|0,1,0]=3 11427 B18R2.273535 CC(C)(C)CSc1ccc2cc(ccc2c1)N 62a_100011219605_100000185457 [0,2,0,0,0,0|0,1,0]=3 11428 B18R2.273535 CC(C)(C)CSc1ccc2cc(ccc2c1)O 62a_100011219605_100000185455 [0,2,0,0,0,0|0,1,0]=3 11429 B18R2.273535 CC(C)(C)CSc1ccc2cc(ccc2n1)F 62a_100011219605_100011998705 [0,2,0,0,0,0|1,1,0]=4 11430 B18R2.273535 CC(C)(C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100011219605 [0,2,0,0,0,0|1,1,0]=4 11431 B18R2.273535 CC(C)(C)CSc1ccc2cc(ccc2n1)O 62a_100011219605_100009849208 [0,2,0,0,0,0|1,1,0]=4 11432 B18R2.273535 CC(C)(C)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100011219605 [0,2,0,0,0,0|1,1,0]=4 11433 B18R2.273535 CC(C)(C)CSc1ccc2cc(cnc2c1)F 62a_100011219605_100010751466 [0,2,0,0,0,0|1,1,0]=4 11434 B18R2.273535 CC(C)(C)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100011219605 [0,2,0,0,0,0|1,1,0]=4 11435 B18R2.273535 CC(C)(C)CSc1ccc2cc(cnc2c1)N 62a_100011219605_100010142226 [0,2,0,0,0,0|1,1,0]=4 11436 B18R2.273535 CC(C)(C)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100011219605 [0,2,0,0,0,0|1,1,0]=4 11437 B18R2.273535 CC(C)(C)CSc1ccc2cc(ncc2c1)N 62a_100011219605_100010232990 [0,2,0,0,0,0|1,1,0]=4 11438 B18R2.273535 CC(C)(C)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100011219605 [0,2,0,0,0,0|1,1,0]=4 11439 B18R2.273535 CC(C)(C)CSc1ccc2oc(=O)ccc2c1 62a_100011219605_100009999946 [0,2,0,0,0,0|1,1,0]=4 11440 B18R2.273535 CC(C)(C)CSc1cnc2cc(ccc2c1)N 62a_100011219605_200010264087 [0,2,0,0,0,0|1,1,0]=4 11441 B18R2.273535 CC(C)(C)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100011219605 [0,2,0,0,0,0|1,1,0]=4 11442 B18R2.273535 CC(C)(C)CSc1cnc2cc(ccc2c1)O 62a_100011219605_200010153753 [0,2,0,0,0,0|1,1,0]=4 11443 B18R2.273535 CC(C)(C)NCc1ccc2cc(ccc2c1)Br 207a_100000715429_100012356508 [0,2,0,0,0,0|2,0,0]=4 11444 B18R2.273535 CC(C)(C)NCc1ccc2cc(ccc2c1)Br 2230a_100000715429_100012356510 [0,2,0,0,0,0|2,0,0]=4 11445 B18R2.273535 CC(C)(C)NCc1ccc2cc(ccc2c1)O 207a_100000715429_100000067190 [0,2,0,0,0,0|2,0,0]=4 11446 B18R2.273535 CC(C)(C)NCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210625 [0,2,0,0,0,0|2,0,0]=4 11447 B18R2.273535 CC(C)(C)OCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210625 [0,2,0,0,0,0|2,0,0]=4 11448 B18R2.273535 CC(C)(C)OCc1ccc2cc(ccc2c1)Br 34a_100015890283_100012356510 [0,2,0,0,0,0|2,0,0]=4 11449 B18R2.273535 CC(C)(C)OCc1ccc2cc(ccc2c1)Br 7a_100015890283_100012356510 [0,2,0,0,0,0|2,0,0]=4 11450 B18R2.273535 CC(C)(F)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011997219 [0,2,0,0,0,0|1,0,0]=3 11451 B18R2.273535 CC(C)(F)CNc1ccc2cc(ccc2n1)F 27a_100020643315_100011998705 [0,2,0,0,0,0|2,0,0]=4 11452 B18R2.273535 CC(C)(F)CNc1ccc2cc(cnc2c1)Br 27a_100020643315_200015509644 [0,2,0,0,0,0|2,0,0]=4 11453 B18R2.273535 CC(C)(F)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011997219 [0,2,0,0,0,0|2,0,0]=4 11454 B18R2.273535 CC(C)(F)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011997219 [0,2,0,0,0,0|0,0,0]=2 11455 B18R2.273535 CC(C)(F)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011997219 [0,2,0,0,0,0|0,0,0]=2 11456 B18R2.273535 CC(C)(F)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011997219 [0,2,0,0,0,0|0,0,0]=2 11457 B18R2.273535 CC(C)(F)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011997219 [0,2,0,0,0,0|1,0,0]=3 11458 B18R2.273535 CC(C)(F)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011997219 [0,2,0,0,0,0|1,0,0]=3 11459 B18R2.273535 CC(C)(F)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011997219 [0,2,0,0,0,0|2,0,0]=4 11460 B18R2.273535 CC(C)(F)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100011997219 [0,2,0,0,0,0|1,0,0]=3 11461 B18R2.273535 CC(C)(F)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011997219 [0,2,0,0,0,0|1,0,0]=3 11462 B18R2.273535 CC(C)(F)CSc1ccc2[nH]c(=O)ccc2c1 62a_100011997219_100011934725 [0,2,0,0,0,0|1,1,0]=4 11463 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100011997219 [0,2,0,0,0,0|0,1,0]=3 11464 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2c1)F 62a_100011997219_100009817052 [0,2,0,0,0,0|0,1,0]=3 11465 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100011997219 [0,2,0,0,0,0|0,1,0]=3 11466 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2c1)N 62a_100011997219_100000185457 [0,2,0,0,0,0|0,1,0]=3 11467 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2c1)O 62a_100011997219_100000185455 [0,2,0,0,0,0|0,1,0]=3 11468 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2n1)F 62a_100011997219_100011998705 [0,2,0,0,0,0|1,1,0]=4 11469 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100011997219 [0,2,0,0,0,0|1,1,0]=4 11470 B18R2.273535 CC(C)(F)CSc1ccc2cc(ccc2n1)O 62a_100011997219_100009849208 [0,2,0,0,0,0|1,1,0]=4 11471 B18R2.273535 CC(C)(F)CSc1ccc2cc(cnc2c1)Br 62a_100011997219_200015509644 [0,2,0,0,0,0|1,1,0]=4 11472 B18R2.273535 CC(C)(F)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011997219 [0,2,0,0,0,0|1,1,0]=4 11473 B18R2.273535 CC(C)(F)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100011997219 [0,2,0,0,0,0|1,1,0]=4 11474 B18R2.273535 CC(C)(F)CSc1ccc2cc(cnc2c1)F 62a_100011997219_100010751466 [0,2,0,0,0,0|1,1,0]=4 11475 B18R2.273535 CC(C)(F)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100011997219 [0,2,0,0,0,0|1,1,0]=4 11476 B18R2.273535 CC(C)(F)CSc1ccc2cc(cnc2c1)N 62a_100011997219_100010142226 [0,2,0,0,0,0|1,1,0]=4 11477 B18R2.273535 CC(C)(F)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100011997219 [0,2,0,0,0,0|1,1,0]=4 11478 B18R2.273535 CC(C)(F)CSc1ccc2cc(ncc2c1)N 62a_100011997219_100010232990 [0,2,0,0,0,0|1,1,0]=4 11479 B18R2.273535 CC(C)(F)CSc1ccc2nc(ccc2c1)Cl 62a_100011997219_200012034268 [0,2,0,0,0,0|1,1,0]=4 11480 B18R2.273535 CC(C)(F)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100011997219 [0,2,0,0,0,0|1,1,0]=4 11481 B18R2.273535 CC(C)(F)CSc1ccc2oc(=O)ccc2c1 62a_100011997219_100009999946 [0,2,0,0,0,0|1,1,0]=4 11482 B18R2.273535 CC(C)(F)CSc1cnc2cc(ccc2c1)Cl 62a_100011997219_100015716233 [0,2,0,0,0,0|1,1,0]=4 11483 B18R2.273535 CC(C)(F)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011997219 [0,2,0,0,0,0|1,1,0]=4 11484 B18R2.273535 CC(C)(F)CSc1cnc2cc(ccc2c1)N 62a_100011997219_200010264087 [0,2,0,0,0,0|1,1,0]=4 11485 B18R2.273535 CC(C)(F)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100011997219 [0,2,0,0,0,0|1,1,0]=4 11486 B18R2.273535 CC(C)(F)CSc1cnc2cc(ccc2c1)O 62a_100011997219_200010153753 [0,2,0,0,0,0|1,1,0]=4 11487 B18R2.273535 CC(C)(O)C=Cc1ccc2cc(ccc2c1)Br 271570a_200016258132_100012344972 [0,2,0,0,0,0|1,0,1]=4 11488 B18R2.273535 CC(C)(O)C=Cc1ccc2cc(ccc2c1)F 271570a_200016258132_100009817052 [0,2,0,0,0,0|1,0,1]=4 11489 B18R2.273535 CC(C)(O)C=Cc1ccc2cc(ccc2c1)N 271570a_200016258132_100000185457 [0,2,0,0,0,0|1,0,1]=4 11490 B18R2.273535 CC(C)(O)C=Cc1ccc2cc(ccc2c1)O 271570a_200016258132_100000185455 [0,2,0,0,0,0|1,0,1]=4 11491 B18R2.273535 CC(C)(O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000764493 [0,2,0,0,0,0|1,0,0]=3 11492 B18R2.273535 CC(C)(O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000764493 [0,2,0,0,0,0|1,0,0]=3 11493 B18R2.273535 CC(C)(O)CNc1ccc2cc(ccc2n1)F 27a_100000751335_100011998705 [0,2,0,0,0,0|2,0,0]=4 11494 B18R2.273535 CC(C)(O)CNc1ccc2cc(cnc2c1)Br 27a_100000751335_200015509644 [0,2,0,0,0,0|2,0,0]=4 11495 B18R2.273535 CC(C)(O)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000764493 [0,2,0,0,0,0|2,0,0]=4 11496 B18R2.273535 CC(C)(O)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000764493 [0,2,0,0,0,0|2,0,0]=4 11497 B18R2.273535 CC(C)(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000764493 [0,2,0,0,0,0|0,0,0]=2 11498 B18R2.273535 CC(C)(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000764493 [0,2,0,0,0,0|0,0,0]=2 11499 B18R2.273535 CC(C)(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000764493 [0,2,0,0,0,0|0,0,0]=2 11500 B18R2.273535 CC(C)(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000764493 [0,2,0,0,0,0|0,0,0]=2 11501 B18R2.273535 CC(C)(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000764493 [0,2,0,0,0,0|0,0,0]=2 11502 B18R2.273535 CC(C)(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000764493 [0,2,0,0,0,0|0,0,0]=2 11503 B18R2.273535 CC(C)(O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000764493 [0,2,0,0,0,0|1,0,0]=3 11504 B18R2.273535 CC(C)(O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000764493 [0,2,0,0,0,0|1,0,0]=3 11505 B18R2.273535 CC(C)(O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000764493 [0,2,0,0,0,0|1,0,0]=3 11506 B18R2.273535 CC(C)(O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000764493 [0,2,0,0,0,0|1,0,0]=3 11507 B18R2.273535 CC(C)(O)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000764493 [0,2,0,0,0,0|2,0,0]=4 11508 B18R2.273535 CC(C)(O)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000764493 [0,2,0,0,0,0|1,0,0]=3 11509 B18R2.273535 CC(C)(O)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000764493 [0,2,0,0,0,0|1,0,0]=3 11510 B18R2.273535 CC(C)(O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000764493 [0,2,0,0,0,0|1,0,0]=3 11511 B18R2.273535 CC(C)(O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000764493 [0,2,0,0,0,0|1,0,0]=3 11512 B18R2.273535 CC(C)(O)CSc1ccc2[nH]c(=O)ccc2c1 62a_100000764493_100011934725 [0,2,0,0,0,0|1,1,0]=4 11513 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)Br 62a_100000764493_100012344972 [0,2,0,0,0,0|0,1,0]=3 11514 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000764493 [0,2,0,0,0,0|0,1,0]=3 11515 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)F 62a_100000764493_100009817052 [0,2,0,0,0,0|0,1,0]=3 11516 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000764493 [0,2,0,0,0,0|0,1,0]=3 11517 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000764493 [0,2,0,0,0,0|0,1,0]=3 11518 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)N 62a_100000764493_100000185457 [0,2,0,0,0,0|0,1,0]=3 11519 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2c1)O 62a_100000764493_100000185455 [0,2,0,0,0,0|0,1,0]=3 11520 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2n1)F 62a_100000764493_100011998705 [0,2,0,0,0,0|1,1,0]=4 11521 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100000764493 [0,2,0,0,0,0|1,1,0]=4 11522 B18R2.273535 CC(C)(O)CSc1ccc2cc(ccc2n1)O 62a_100000764493_100009849208 [0,2,0,0,0,0|1,1,0]=4 11523 B18R2.273535 CC(C)(O)CSc1ccc2cc(cnc2c1)Br 62a_100000764493_200015509644 [0,2,0,0,0,0|1,1,0]=4 11524 B18R2.273535 CC(C)(O)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000764493 [0,2,0,0,0,0|1,1,0]=4 11525 B18R2.273535 CC(C)(O)CSc1ccc2cc(cnc2c1)F 62a_100000764493_100010751466 [0,2,0,0,0,0|1,1,0]=4 11526 B18R2.273535 CC(C)(O)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100000764493 [0,2,0,0,0,0|1,1,0]=4 11527 B18R2.273535 CC(C)(O)CSc1ccc2cc(cnc2c1)N 62a_100000764493_100010142226 [0,2,0,0,0,0|1,1,0]=4 11528 B18R2.273535 CC(C)(O)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100000764493 [0,2,0,0,0,0|1,1,0]=4 11529 B18R2.273535 CC(C)(O)CSc1ccc2cc(ncc2c1)N 62a_100000764493_100010232990 [0,2,0,0,0,0|1,1,0]=4 11530 B18R2.273535 CC(C)(O)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100000764493 [0,2,0,0,0,0|1,1,0]=4 11531 B18R2.273535 CC(C)(O)CSc1ccc2nc(ccc2c1)Cl 62a_100000764493_200012034268 [0,2,0,0,0,0|1,1,0]=4 11532 B18R2.273535 CC(C)(O)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100000764493 [0,2,0,0,0,0|1,1,0]=4 11533 B18R2.273535 CC(C)(O)CSc1ccc2oc(=O)ccc2c1 62a_100000764493_100009999946 [0,2,0,0,0,0|1,1,0]=4 11534 B18R2.273535 CC(C)(O)CSc1cnc2cc(ccc2c1)Cl 62a_100000764493_100015716233 [0,2,0,0,0,0|1,1,0]=4 11535 B18R2.273535 CC(C)(O)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000764493 [0,2,0,0,0,0|1,1,0]=4 11536 B18R2.273535 CC(C)(O)CSc1cnc2cc(ccc2c1)N 62a_100000764493_200010264087 [0,2,0,0,0,0|1,1,0]=4 11537 B18R2.273535 CC(C)(O)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100000764493 [0,2,0,0,0,0|1,1,0]=4 11538 B18R2.273535 CC(C)(O)CSc1cnc2cc(ccc2c1)O 62a_100000764493_200010153753 [0,2,0,0,0,0|1,1,0]=4 11539 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000036245 [0,2,0,0,0,0|1,1,0]=4 11540 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)Br 62a_200000036245_100012344972 [0,2,0,0,0,0|1,1,0]=4 11541 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000036245 [0,2,0,0,0,0|1,1,0]=4 11542 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)F 62a_200000036245_100009817052 [0,2,0,0,0,0|1,1,0]=4 11543 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000036245 [0,2,0,0,0,0|1,1,0]=4 11544 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)N 62a_200000036245_100000185457 [0,2,0,0,0,0|1,1,0]=4 11545 B18R2.273535 C[N+](C)(C)CSc1ccc2cc(ccc2c1)O 62a_200000036245_100000185455 [0,2,0,0,0,0|1,1,0]=4 11546 B18R2.273535 C[Si](C)(C)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000233785 [0,2,0,0,0,0|1,1,0]=4 11547 B18R2.273535 C[Si](C)(C)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000233785 [0,2,0,0,0,0|0,1,0]=3 11548 B18R2.273535 C[Si](C)(C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000233785 [0,2,0,0,0,0|0,1,0]=3 11549 B18R2.273535 C[Si](C)(C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000233785 [0,2,0,0,0,0|0,1,0]=3 11550 B18R2.273535 C[Si](C)(C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000233785 [0,2,0,0,0,0|1,1,0]=4 11551 B18R2.273535 C[Si](C)(C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000233785 [0,2,0,0,0,0|1,1,0]=4 11552 B18R2.273535 C[Si](C)(C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000233785 [0,2,0,0,0,0|1,1,0]=4 11553 B18R2.273535 C[Si](C)(C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000233785 [0,2,0,0,0,0|1,1,0]=4 11554 B18R2.273535 C[Si](C)(C)CSc1ccc2cc(ccc2c1)F 62a_100000037933_100009817052 [0,2,0,0,0,0|0,2,0]=4 11555 B18R2.273535 C[Si](C)(C)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000037933 [0,2,0,0,0,0|0,2,0]=4 11556 B18R2.273535 C[Si](C)(C)CSc1ccc2cc(ccc2c1)N 62a_100000037933_100000185457 [0,2,0,0,0,0|0,2,0]=4 11557 B18R2.273535 C[Si](C)(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000037933 [0,2,0,0,0,0|0,2,0]=4 11558 B18R2.273535 C[Si](C)(C)CSc1ccc2cc(ccc2c1)O 62a_100000037933_100000185455 [0,2,0,0,0,0|0,2,0]=4 11559 B18R2.273535 C[n+]1ccc2cc(ccc2c1)SCC(C)(C)C 62a_100011219605_100015191232 [0,2,0,0,0,0|1,1,0]=4 11560 B18R2.273535 C[n+]1ccc2cc(ccc2c1)SCC(C)(C)F 62a_100011997219_100015191232 [0,2,0,0,0,0|1,1,0]=4 11561 B18R2.273535 C[n+]1ccc2cc(ccc2c1)SCC(C)(C)O 62a_100000764493_100015191232 [0,2,0,0,0,0|1,1,0]=4 11562 B18R2.273535 Cc1ccc2cc(ccc2c1)OCC(C)(C)C 34a_100000074090_100011219605 [0,2,0,0,0,0|0,0,0]=2 11563 B18R2.273535 Cc1ccc2cc(ccc2c1)OCC(C)(C)F 34a_100000074090_100011997219 [0,2,0,0,0,0|0,0,0]=2 11564 B18R2.273535 Cc1ccc2cc(ccc2c1)OCC(C)(C)O 34a_100000074090_100000764493 [0,2,0,0,0,0|0,0,0]=2 11565 B18R2.273535 Cc1ccc2cc(ccc2c1)OCC(C)(C)O 7a_100000074090_100000764493 [0,2,0,0,0,0|0,0,0]=2 11566 B18R2.273535 Cc1ccc2cc(ccc2c1)OC[Si](C)(C)C 7a_100000074090_100000233785 [0,2,0,0,0,0|0,1,0]=3 11567 B18R2.273535 Cc1ccc2cc(ccc2n1)NCC(C)(C)C 34a_100011216442_100011219605 [0,2,0,0,0,0|2,0,0]=4 11568 B18R2.273535 Cc1ccc2cc(ccc2n1)NCC(C)(C)F 34a_100011216442_100011997219 [0,2,0,0,0,0|2,0,0]=4 11569 B18R2.273535 Cc1ccc2cc(ccc2n1)NCC(C)(C)O 34a_100011216442_100000764493 [0,2,0,0,0,0|2,0,0]=4 11570 B18R2.273535 Cc1ccc2cc(ccc2n1)OCC(C)(C)C 34a_100000037634_100011219605 [0,2,0,0,0,0|1,0,0]=3 11571 B18R2.273535 Cc1ccc2cc(ccc2n1)OCC(C)(C)F 34a_100000037634_100011997219 [0,2,0,0,0,0|1,0,0]=3 11572 B18R2.273535 Cc1ccc2cc(ccc2n1)OCC(C)(C)O 34a_100000037634_100000764493 [0,2,0,0,0,0|1,0,0]=3 11573 B18R2.273535 Cc1ccc2cc(ccc2n1)OCC(C)(C)O 7a_100000037634_100000764493 [0,2,0,0,0,0|1,0,0]=3 11574 B18R2.273535 Cc1ccc2cc(ccc2n1)OC[Si](C)(C)C 7a_100000037634_100000233785 [0,2,0,0,0,0|1,1,0]=4 11575 B18R2.273535 Cc1ccc2cc(ccc2n1)SCC(C)(C)C 62a_100000686635_100011219605 [0,2,0,0,0,0|1,1,0]=4 11576 B18R2.273535 Cc1ccc2cc(ccc2n1)SCC(C)(C)C 62a_100011219605_100000686635 [0,2,0,0,0,0|1,1,0]=4 11577 B18R2.273535 Cc1ccc2cc(ccc2n1)SCC(C)(C)F 62a_100000686635_100011997219 [0,2,0,0,0,0|1,1,0]=4 11578 B18R2.273535 Cc1ccc2cc(ccc2n1)SCC(C)(C)F 62a_100011997219_100000686635 [0,2,0,0,0,0|1,1,0]=4 11579 B18R2.273535 Cc1ccc2cc(ccc2n1)SCC(C)(C)O 62a_100000686635_100000764493 [0,2,0,0,0,0|1,1,0]=4 11580 B18R2.273535 Cc1ccc2cc(ccc2n1)SCC(C)(C)O 62a_100000764493_100000686635 [0,2,0,0,0,0|1,1,0]=4 11581 B18R2.273535 Cc1ccc2nc(ccc2c1)NCC(C)(C)C 27a_100000743828_100011865911 [0,2,0,0,0,0|2,0,0]=4 11582 B18R2.273535 Cc1ccc2nc(ccc2c1)NCC(C)(C)F 27a_100020643315_100011865911 [0,2,0,0,0,0|2,0,0]=4 11583 B18R2.273535 Cc1ccc2nc(ccc2c1)NCC(C)(C)O 27a_100000751335_100011865911 [0,2,0,0,0,0|2,0,0]=4 11584 B18R2.273535 Cc1ccc2nc(ccc2c1)SCC(C)(C)C 62a_100011219605_100011865911 [0,2,0,0,0,0|1,1,0]=4 11585 B18R2.273535 Cc1ccc2nc(ccc2c1)SCC(C)(C)C 62a_200000181977_100011219605 [0,2,0,0,0,0|1,1,0]=4 11586 B18R2.273535 Cc1ccc2nc(ccc2c1)SCC(C)(C)F 62a_100011997219_100011865911 [0,2,0,0,0,0|1,1,0]=4 11587 B18R2.273535 Cc1ccc2nc(ccc2c1)SCC(C)(C)F 62a_200000181977_100011997219 [0,2,0,0,0,0|1,1,0]=4 11588 B18R2.273535 Cc1ccc2nc(ccc2c1)SCC(C)(C)O 62a_100000764493_100011865911 [0,2,0,0,0,0|1,1,0]=4 11589 B18R2.273535 Cc1ccc2nc(ccc2c1)SCC(C)(C)O 62a_200000181977_100000764493 [0,2,0,0,0,0|1,1,0]=4 11590 B18R2.273535 Cc1cnc2cc(ccc2c1)SCC(C)(C)C 62a_100011219605_100010751441 [0,2,0,0,0,0|1,1,0]=4 11591 B18R2.273535 Cc1cnc2cc(ccc2c1)SCC(C)(C)F 62a_100011997219_100010751441 [0,2,0,0,0,0|1,1,0]=4 11592 B18R2.273535 Cc1cnc2cc(ccc2c1)SCC(C)(C)O 62a_100000764493_100010751441 [0,2,0,0,0,0|1,1,0]=4 11593 B18R2.483676 CC(C)(C)C=Cc1ccc2c(cccc2c1)N 271570a_100102527731_100010090037 [0,2,0,0,0,0|1,0,1]=4 11594 B18R2.483676 CC(C)(C)C=Cc1ccc2c(cccc2c1)O 271570a_100102527731_100010202202 [0,2,0,0,0,0|1,0,1]=4 11595 B18R2.483676 CC(C)(C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011219605 [0,2,0,0,0,0|1,0,0]=3 11596 B18R2.483676 CC(C)(C)CNc1ccc2c(ccnc2c1)Cl 27a_100000743828_100009996786 [0,2,0,0,0,0|2,0,0]=4 11597 B18R2.483676 CC(C)(C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011219605 [0,2,0,0,0,0|1,0,0]=3 11598 B18R2.483676 CC(C)(C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100011219605 [0,2,0,0,0,0|1,0,0]=3 11599 B18R2.483676 CC(C)(C)COc1ccc2c(cccc2c1)N 34a_100000034668_100011219605 [0,2,0,0,0,0|0,0,0]=2 11600 B18R2.483676 CC(C)(C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011219605 [0,2,0,0,0,0|1,0,0]=3 11601 B18R2.483676 CC(C)(C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011219605 [0,2,0,0,0,0|1,0,0]=3 11602 B18R2.483676 CC(C)(C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011219605 [0,2,0,0,0,0|1,0,0]=3 11603 B18R2.483676 CC(C)(C)COc1cnc2c(cccc2c1)F 34a_100012184956_100011219605 [0,2,0,0,0,0|1,0,0]=3 11604 B18R2.483676 CC(C)(C)CSc1ccc2c(=O)ccoc2c1 62a_100011219605_100010062221 [0,2,0,0,0,0|1,1,0]=4 11605 B18R2.483676 CC(C)(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100011219605 [0,2,0,0,0,0|0,1,0]=3 11606 B18R2.483676 CC(C)(C)CSc1ccc2c(cccc2c1)N 62a_100011219605_100010090037 [0,2,0,0,0,0|0,1,0]=3 11607 B18R2.483676 CC(C)(C)CSc1ccc2c(cccc2c1)O 62a_100011219605_100010202202 [0,2,0,0,0,0|0,1,0]=3 11608 B18R2.483676 CC(C)(C)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100011219605 [0,2,0,0,0,0|1,1,0]=4 11609 B18R2.483676 CC(C)(C)CSc1ccc2c(ccnc2c1)O 62a_100011219605_100000756855 [0,2,0,0,0,0|1,1,0]=4 11610 B18R2.483676 CC(C)(C)CSc1ccc2c(nccc2c1)N 62a_100000732483_100011219605 [0,2,0,0,0,0|1,1,0]=4 11611 B18R2.483676 CC(C)(C)CSc1ccc2c(nccc2c1)N 62a_100011219605_100000732483 [0,2,0,0,0,0|1,1,0]=4 11612 B18R2.483676 CC(C)(C)CSc1ccc2c(nccc2c1)O 62a_100011219605_100000760485 [0,2,0,0,0,0|1,1,0]=4 11613 B18R2.483676 CC(C)(C)CSc1cnc2c(cccc2c1)F 62a_100000049890_100011219605 [0,2,0,0,0,0|1,1,0]=4 11614 B18R2.483676 CC(C)(C)CSc1cnc2c(cccc2c1)F 62a_100011219605_100000049890 [0,2,0,0,0,0|1,1,0]=4 11615 B18R2.483676 CC(C)(C)CSc1cnc2c(cccc2c1)N 62a_100011219605_100000702407 [0,2,0,0,0,0|1,1,0]=4 11616 B18R2.483676 CC(C)(F)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011997219 [0,2,0,0,0,0|1,0,0]=3 11617 B18R2.483676 CC(C)(F)CNc1ccc2c(ccnc2c1)Cl 27a_100020643315_100009996786 [0,2,0,0,0,0|2,0,0]=4 11618 B18R2.483676 CC(C)(F)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011997219 [0,2,0,0,0,0|1,0,0]=3 11619 B18R2.483676 CC(C)(F)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100011997219 [0,2,0,0,0,0|1,0,0]=3 11620 B18R2.483676 CC(C)(F)COc1ccc2c(cccc2c1)N 34a_100000034668_100011997219 [0,2,0,0,0,0|0,0,0]=2 11621 B18R2.483676 CC(C)(F)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011997219 [0,2,0,0,0,0|1,0,0]=3 11622 B18R2.483676 CC(C)(F)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011997219 [0,2,0,0,0,0|1,0,0]=3 11623 B18R2.483676 CC(C)(F)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011997219 [0,2,0,0,0,0|1,0,0]=3 11624 B18R2.483676 CC(C)(F)COc1cnc2c(cccc2c1)F 34a_100012184956_100011997219 [0,2,0,0,0,0|1,0,0]=3 11625 B18R2.483676 CC(C)(F)CSc1ccc2c(=O)ccoc2c1 62a_100011997219_100010062221 [0,2,0,0,0,0|1,1,0]=4 11626 B18R2.483676 CC(C)(F)CSc1ccc2c(cccc2c1)N 62a_100010090037_100011997219 [0,2,0,0,0,0|0,1,0]=3 11627 B18R2.483676 CC(C)(F)CSc1ccc2c(cccc2c1)N 62a_100011997219_100010090037 [0,2,0,0,0,0|0,1,0]=3 11628 B18R2.483676 CC(C)(F)CSc1ccc2c(cccc2c1)O 62a_100011997219_100010202202 [0,2,0,0,0,0|0,1,0]=3 11629 B18R2.483676 CC(C)(F)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011997219 [0,2,0,0,0,0|1,1,0]=4 11630 B18R2.483676 CC(C)(F)CSc1ccc2c(ccnc2c1)Cl 62a_100011997219_100009996786 [0,2,0,0,0,0|1,1,0]=4 11631 B18R2.483676 CC(C)(F)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100011997219 [0,2,0,0,0,0|1,1,0]=4 11632 B18R2.483676 CC(C)(F)CSc1ccc2c(ccnc2c1)O 62a_100011997219_100000756855 [0,2,0,0,0,0|1,1,0]=4 11633 B18R2.483676 CC(C)(F)CSc1ccc2c(nccc2c1)N 62a_100000732483_100011997219 [0,2,0,0,0,0|1,1,0]=4 11634 B18R2.483676 CC(C)(F)CSc1ccc2c(nccc2c1)N 62a_100011997219_100000732483 [0,2,0,0,0,0|1,1,0]=4 11635 B18R2.483676 CC(C)(F)CSc1ccc2c(nccc2c1)O 62a_100011997219_100000760485 [0,2,0,0,0,0|1,1,0]=4 11636 B18R2.483676 CC(C)(F)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100011997219 [0,2,0,0,0,0|1,1,0]=4 11637 B18R2.483676 CC(C)(F)CSc1cnc2c(cccc2c1)Br 62a_100011997219_100010204298 [0,2,0,0,0,0|1,1,0]=4 11638 B18R2.483676 CC(C)(F)CSc1cnc2c(cccc2c1)Cl 62a_100011997219_100000759377 [0,2,0,0,0,0|1,1,0]=4 11639 B18R2.483676 CC(C)(F)CSc1cnc2c(cccc2c1)F 62a_100000049890_100011997219 [0,2,0,0,0,0|1,1,0]=4 11640 B18R2.483676 CC(C)(F)CSc1cnc2c(cccc2c1)F 62a_100011997219_100000049890 [0,2,0,0,0,0|1,1,0]=4 11641 B18R2.483676 CC(C)(F)CSc1cnc2c(cccc2c1)N 62a_100011997219_100000702407 [0,2,0,0,0,0|1,1,0]=4 11642 B18R2.483676 CC(C)(O)C=Cc1ccc2c(cccc2c1)N 271570a_200016258132_100010090037 [0,2,0,0,0,0|1,0,1]=4 11643 B18R2.483676 CC(C)(O)C=Cc1ccc2c(cccc2c1)O 271570a_200016258132_100010202202 [0,2,0,0,0,0|1,0,1]=4 11644 B18R2.483676 CC(C)(O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000764493 [0,2,0,0,0,0|1,0,0]=3 11645 B18R2.483676 CC(C)(O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000764493 [0,2,0,0,0,0|1,0,0]=3 11646 B18R2.483676 CC(C)(O)CNc1ccc2c(ccnc2c1)Cl 27a_100000751335_100009996786 [0,2,0,0,0,0|2,0,0]=4 11647 B18R2.483676 CC(C)(O)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000764493 [0,2,0,0,0,0|1,0,0]=3 11648 B18R2.483676 CC(C)(O)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000764493 [0,2,0,0,0,0|1,0,0]=3 11649 B18R2.483676 CC(C)(O)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000764493 [0,2,0,0,0,0|1,0,0]=3 11650 B18R2.483676 CC(C)(O)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000764493 [0,2,0,0,0,0|1,0,0]=3 11651 B18R2.483676 CC(C)(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000764493 [0,2,0,0,0,0|0,0,0]=2 11652 B18R2.483676 CC(C)(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000764493 [0,2,0,0,0,0|0,0,0]=2 11653 B18R2.483676 CC(C)(O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000764493 [0,2,0,0,0,0|1,0,0]=3 11654 B18R2.483676 CC(C)(O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000764493 [0,2,0,0,0,0|1,0,0]=3 11655 B18R2.483676 CC(C)(O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000764493 [0,2,0,0,0,0|1,0,0]=3 11656 B18R2.483676 CC(C)(O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000764493 [0,2,0,0,0,0|1,0,0]=3 11657 B18R2.483676 CC(C)(O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000764493 [0,2,0,0,0,0|1,0,0]=3 11658 B18R2.483676 CC(C)(O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000764493 [0,2,0,0,0,0|1,0,0]=3 11659 B18R2.483676 CC(C)(O)COc1cnc2c(cccc2c1)F 34a_100012184956_100000764493 [0,2,0,0,0,0|1,0,0]=3 11660 B18R2.483676 CC(C)(O)COc1cnc2c(cccc2c1)F 7a_100012184956_100000764493 [0,2,0,0,0,0|1,0,0]=3 11661 B18R2.483676 CC(C)(O)CSc1ccc2c(=O)ccoc2c1 62a_100000764493_100010062221 [0,2,0,0,0,0|1,1,0]=4 11662 B18R2.483676 CC(C)(O)CSc1ccc2c(cccc2c1)N 62a_100000764493_100010090037 [0,2,0,0,0,0|0,1,0]=3 11663 B18R2.483676 CC(C)(O)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000764493 [0,2,0,0,0,0|0,1,0]=3 11664 B18R2.483676 CC(C)(O)CSc1ccc2c(cccc2c1)O 62a_100000764493_100010202202 [0,2,0,0,0,0|0,1,0]=3 11665 B18R2.483676 CC(C)(O)CSc1ccc2c(ccnc2c1)Cl 62a_100000764493_100009996786 [0,2,0,0,0,0|1,1,0]=4 11666 B18R2.483676 CC(C)(O)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000764493 [0,2,0,0,0,0|1,1,0]=4 11667 B18R2.483676 CC(C)(O)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100000764493 [0,2,0,0,0,0|1,1,0]=4 11668 B18R2.483676 CC(C)(O)CSc1ccc2c(ccnc2c1)O 62a_100000764493_100000756855 [0,2,0,0,0,0|1,1,0]=4 11669 B18R2.483676 CC(C)(O)CSc1ccc2c(nccc2c1)N 62a_100000732483_100000764493 [0,2,0,0,0,0|1,1,0]=4 11670 B18R2.483676 CC(C)(O)CSc1ccc2c(nccc2c1)N 62a_100000764493_100000732483 [0,2,0,0,0,0|1,1,0]=4 11671 B18R2.483676 CC(C)(O)CSc1ccc2c(nccc2c1)O 62a_100000764493_100000760485 [0,2,0,0,0,0|1,1,0]=4 11672 B18R2.483676 CC(C)(O)CSc1cnc2c(cccc2c1)Br 62a_100000764493_100010204298 [0,2,0,0,0,0|1,1,0]=4 11673 B18R2.483676 CC(C)(O)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100000764493 [0,2,0,0,0,0|1,1,0]=4 11674 B18R2.483676 CC(C)(O)CSc1cnc2c(cccc2c1)Cl 62a_100000764493_100000759377 [0,2,0,0,0,0|1,1,0]=4 11675 B18R2.483676 CC(C)(O)CSc1cnc2c(cccc2c1)F 62a_100000049890_100000764493 [0,2,0,0,0,0|1,1,0]=4 11676 B18R2.483676 CC(C)(O)CSc1cnc2c(cccc2c1)F 62a_100000764493_100000049890 [0,2,0,0,0,0|1,1,0]=4 11677 B18R2.483676 CC(C)(O)CSc1cnc2c(cccc2c1)N 62a_100000764493_100000702407 [0,2,0,0,0,0|1,1,0]=4 11678 B18R2.483676 C[N+](C)(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_200000036245 [0,2,0,0,0,0|1,1,0]=4 11679 B18R2.483676 C[N+](C)(C)CSc1ccc2c(cccc2c1)N 62a_200000036245_100010090037 [0,2,0,0,0,0|1,1,0]=4 11680 B18R2.483676 C[N+](C)(C)CSc1ccc2c(cccc2c1)O 62a_200000036245_100010202202 [0,2,0,0,0,0|1,1,0]=4 11681 B18R2.483676 C[Si](C)(C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000233785 [0,2,0,0,0,0|1,1,0]=4 11682 B18R2.483676 C[Si](C)(C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000233785 [0,2,0,0,0,0|1,1,0]=4 11683 B18R2.483676 C[Si](C)(C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000233785 [0,2,0,0,0,0|1,1,0]=4 11684 B18R2.483676 C[Si](C)(C)COc1ccc2c(cccc2c1)N 7a_100000034668_100000233785 [0,2,0,0,0,0|0,1,0]=3 11685 B18R2.483676 C[Si](C)(C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000233785 [0,2,0,0,0,0|1,1,0]=4 11686 B18R2.483676 C[Si](C)(C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000233785 [0,2,0,0,0,0|1,1,0]=4 11687 B18R2.483676 C[Si](C)(C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000233785 [0,2,0,0,0,0|1,1,0]=4 11688 B18R2.483676 C[Si](C)(C)COc1cnc2c(cccc2c1)F 7a_100012184956_100000233785 [0,2,0,0,0,0|1,1,0]=4 11689 B18R2.483676 C[Si](C)(C)CSc1ccc2c(cccc2c1)N 62a_100000037933_100010090037 [0,2,0,0,0,0|0,2,0]=4 11690 B18R2.483676 C[Si](C)(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000037933 [0,2,0,0,0,0|0,2,0]=4 11691 B18R2.483676 C[Si](C)(C)CSc1ccc2c(cccc2c1)O 62a_100000037933_100010202202 [0,2,0,0,0,0|0,2,0]=4 11692 B18R2.483676 Cc1cccc2c1ncc(c2)SCC(C)(C)C 62a_100011219605_100009829671 [0,2,0,0,0,0|1,1,0]=4 11693 B18R2.483676 Cc1cccc2c1ncc(c2)SCC(C)(C)F 62a_100011997219_100009829671 [0,2,0,0,0,0|1,1,0]=4 11694 B18R2.483676 Cc1cccc2c1ncc(c2)SCC(C)(C)O 62a_100000764493_100009829671 [0,2,0,0,0,0|1,1,0]=4 11695 B18R2.483676 Cc1ccnc2c1ccc(c2)OCC(C)(C)C 34a_200009854145_100011219605 [0,2,0,0,0,0|1,0,0]=3 11696 B18R2.483676 Cc1ccnc2c1ccc(c2)OCC(C)(C)F 34a_200009854145_100011997219 [0,2,0,0,0,0|1,0,0]=3 11697 B18R2.483676 Cc1ccnc2c1ccc(c2)OCC(C)(C)O 34a_200009854145_100000764493 [0,2,0,0,0,0|1,0,0]=3 11698 B18R2.483676 Cc1ccnc2c1ccc(c2)OCC(C)(C)O 7a_200009854145_100000764493 [0,2,0,0,0,0|1,0,0]=3 11699 B18R2.483676 Cc1ccnc2c1ccc(c2)OC[Si](C)(C)C 7a_200009854145_100000233785 [0,2,0,0,0,0|1,1,0]=4 11700 B18R2.483676 Cc1ccnc2c1ccc(c2)SCC(C)(C)C 62a_100010132309_100011219605 [0,2,0,0,0,0|1,1,0]=4 11701 B18R2.483676 Cc1ccnc2c1ccc(c2)SCC(C)(C)C 62a_100011219605_100010132309 [0,2,0,0,0,0|1,1,0]=4 11702 B18R2.483676 Cc1ccnc2c1ccc(c2)SCC(C)(C)F 62a_100010132309_100011997219 [0,2,0,0,0,0|1,1,0]=4 11703 B18R2.483676 Cc1ccnc2c1ccc(c2)SCC(C)(C)F 62a_100011997219_100010132309 [0,2,0,0,0,0|1,1,0]=4 11704 B18R2.483676 Cc1ccnc2c1ccc(c2)SCC(C)(C)O 62a_100000764493_100010132309 [0,2,0,0,0,0|1,1,0]=4 11705 B18R2.483676 Cc1ccnc2c1ccc(c2)SCC(C)(C)O 62a_100010132309_100000764493 [0,2,0,0,0,0|1,1,0]=4 11706 B18R2.513832 CC(C)(C)C=Cc1cc(c2ccccc2c1)N 271570a_100102527731_100010171453 [0,2,0,0,0,0|1,0,1]=4 11707 B18R2.513832 CC(C)(C)C=Cc1cc(c2ccccc2c1)O 271570a_100102527731_100010089979 [0,2,0,0,0,0|1,0,1]=4 11708 B18R2.513832 CC(C)(C)CNc1cc(c2cnccc2c1)F 27a_100000743828_100011068762 [0,2,0,0,0,0|2,0,0]=4 11709 B18R2.513832 CC(C)(C)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011219605 [0,2,0,0,0,0|2,0,0]=4 11710 B18R2.513832 CC(C)(C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100011219605 [0,2,0,0,0,0|2,0,0]=4 11711 B18R2.513832 CC(C)(C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011219605 [0,2,0,0,0,0|1,0,0]=3 11712 B18R2.513832 CC(C)(C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011219605 [0,2,0,0,0,0|1,0,0]=3 11713 B18R2.513832 CC(C)(C)COc1cc(c2ncccc2c1)F 34a_100009888031_100011219605 [0,2,0,0,0,0|1,0,0]=3 11714 B18R2.513832 CC(C)(C)COc1cc(c2ncccc2c1)N 34a_100000083691_100011219605 [0,2,0,0,0,0|1,0,0]=3 11715 B18R2.513832 CC(C)(C)CSc1cc(=O)c2ccccc2[nH]1 62a_100011219605_100000090176 [0,2,0,0,0,0|1,1,0]=4 11716 B18R2.513832 CC(C)(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100011219605 [0,2,0,0,0,0|0,1,0]=3 11717 B18R2.513832 CC(C)(C)CSc1cc(c2ccccc2c1)N 62a_100011219605_100010171453 [0,2,0,0,0,0|0,1,0]=3 11718 B18R2.513832 CC(C)(C)CSc1cc(c2ccccc2c1)O 62a_100011219605_100010089979 [0,2,0,0,0,0|0,1,0]=3 11719 B18R2.513832 CC(C)(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100011219605 [0,2,0,0,0,0|1,1,0]=4 11720 B18R2.513832 CC(C)(C)CSc1cc(c2cccnc2c1)N 62a_100011219605_200010263263 [0,2,0,0,0,0|1,1,0]=4 11721 B18R2.513832 CC(C)(C)CSc1cc(c2cccnc2c1)N 62a_200010263263_100011219605 [0,2,0,0,0,0|1,1,0]=4 11722 B18R2.513832 CC(C)(C)CSc1cc(c2cnccc2c1)F 62a_100011068762_100011219605 [0,2,0,0,0,0|1,1,0]=4 11723 B18R2.513832 CC(C)(C)CSc1cc(c2cnccc2c1)F 62a_100011219605_100011068762 [0,2,0,0,0,0|1,1,0]=4 11724 B18R2.513832 CC(C)(C)CSc1cc(c2ncccc2c1)F 62a_100010234705_100011219605 [0,2,0,0,0,0|1,1,0]=4 11725 B18R2.513832 CC(C)(C)CSc1cc(c2ncccc2c1)F 62a_100011219605_100010234705 [0,2,0,0,0,0|1,1,0]=4 11726 B18R2.513832 CC(C)(C)CSc1cc(c2ncccc2c1)N 62a_100011219605_100009814519 [0,2,0,0,0,0|1,1,0]=4 11727 B18R2.513832 CC(C)(C)CSc1cc(c2ncccc2c1)O 62a_100011219605_100010248853 [0,2,0,0,0,0|1,1,0]=4 11728 B18R2.513832 CC(C)(C)CSc1cc2ccccc2c(=O)[nH]1 62a_100011219605_200015811170 [0,2,0,0,0,0|1,1,0]=4 11729 B18R2.513832 CC(C)(C)CSc1cc2ccccc2c(n1)N 62a_100009957331_100011219605 [0,2,0,0,0,0|1,1,0]=4 11730 B18R2.513832 CC(C)(C)CSc1cc2ccccc2c(n1)N 62a_100011219605_100009957331 [0,2,0,0,0,0|1,1,0]=4 11731 B18R2.513832 CC(C)(F)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011997219 [0,2,0,0,0,0|1,0,0]=3 11732 B18R2.513832 CC(C)(F)CNc1cc(c2cnccc2c1)F 27a_100020643315_100011068762 [0,2,0,0,0,0|2,0,0]=4 11733 B18R2.513832 CC(C)(F)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011997219 [0,2,0,0,0,0|2,0,0]=4 11734 B18R2.513832 CC(C)(F)COc1cc(=O)n2ccccc2n1 34a_100000751361_100011997219 [0,2,0,0,0,0|2,0,0]=4 11735 B18R2.513832 CC(C)(F)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011997219 [0,2,0,0,0,0|0,0,0]=2 11736 B18R2.513832 CC(C)(F)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011997219 [0,2,0,0,0,0|1,0,0]=3 11737 B18R2.513832 CC(C)(F)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011997219 [0,2,0,0,0,0|1,0,0]=3 11738 B18R2.513832 CC(C)(F)COc1cc(c2ncccc2c1)F 34a_100009888031_100011997219 [0,2,0,0,0,0|1,0,0]=3 11739 B18R2.513832 CC(C)(F)COc1cc(c2ncccc2c1)N 34a_100000083691_100011997219 [0,2,0,0,0,0|1,0,0]=3 11740 B18R2.513832 CC(C)(F)CSc1cc(=O)c2ccccc2[nH]1 62a_100011997219_100000090176 [0,2,0,0,0,0|1,1,0]=4 11741 B18R2.513832 CC(C)(F)CSc1cc(c2ccccc2c1)N 62a_100010171453_100011997219 [0,2,0,0,0,0|0,1,0]=3 11742 B18R2.513832 CC(C)(F)CSc1cc(c2ccccc2c1)N 62a_100011997219_100010171453 [0,2,0,0,0,0|0,1,0]=3 11743 B18R2.513832 CC(C)(F)CSc1cc(c2ccccc2c1)O 62a_100011997219_100010089979 [0,2,0,0,0,0|0,1,0]=3 11744 B18R2.513832 CC(C)(F)CSc1cc(c2ccccc2n1)N 62a_100010197925_100011997219 [0,2,0,0,0,0|1,1,0]=4 11745 B18R2.513832 CC(C)(F)CSc1cc(c2cccnc2c1)N 62a_100011997219_200010263263 [0,2,0,0,0,0|1,1,0]=4 11746 B18R2.513832 CC(C)(F)CSc1cc(c2cccnc2c1)N 62a_200010263263_100011997219 [0,2,0,0,0,0|1,1,0]=4 11747 B18R2.513832 CC(C)(F)CSc1cc(c2cnccc2c1)F 62a_100011068762_100011997219 [0,2,0,0,0,0|1,1,0]=4 11748 B18R2.513832 CC(C)(F)CSc1cc(c2cnccc2c1)F 62a_100011997219_100011068762 [0,2,0,0,0,0|1,1,0]=4 11749 B18R2.513832 CC(C)(F)CSc1cc(c2ncccc2c1)Cl 62a_100011997219_200010369337 [0,2,0,0,0,0|1,1,0]=4 11750 B18R2.513832 CC(C)(F)CSc1cc(c2ncccc2c1)F 62a_100010234705_100011997219 [0,2,0,0,0,0|1,1,0]=4 11751 B18R2.513832 CC(C)(F)CSc1cc(c2ncccc2c1)F 62a_100011997219_100010234705 [0,2,0,0,0,0|1,1,0]=4 11752 B18R2.513832 CC(C)(F)CSc1cc(c2ncccc2c1)N 62a_100011997219_100009814519 [0,2,0,0,0,0|1,1,0]=4 11753 B18R2.513832 CC(C)(F)CSc1cc(c2ncccc2c1)O 62a_100011997219_100010248853 [0,2,0,0,0,0|1,1,0]=4 11754 B18R2.513832 CC(C)(F)CSc1cc2ccccc2c(=O)[nH]1 62a_100011997219_200015811170 [0,2,0,0,0,0|1,1,0]=4 11755 B18R2.513832 CC(C)(F)CSc1cc2ccccc2c(n1)N 62a_100009957331_100011997219 [0,2,0,0,0,0|1,1,0]=4 11756 B18R2.513832 CC(C)(F)CSc1cc2ccccc2c(n1)N 62a_100011997219_100009957331 [0,2,0,0,0,0|1,1,0]=4 11757 B18R2.513832 CC(C)(O)C=Cc1cc(c2ccccc2c1)N 271570a_200016258132_100010171453 [0,2,0,0,0,0|1,0,1]=4 11758 B18R2.513832 CC(C)(O)C=Cc1cc(c2ccccc2c1)O 271570a_200016258132_100010089979 [0,2,0,0,0,0|1,0,1]=4 11759 B18R2.513832 CC(C)(O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100000764493 [0,2,0,0,0,0|1,0,0]=3 11760 B18R2.513832 CC(C)(O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000764493 [0,2,0,0,0,0|1,0,0]=3 11761 B18R2.513832 CC(C)(O)CNc1cc(c2cnccc2c1)F 27a_100000751335_100011068762 [0,2,0,0,0,0|2,0,0]=4 11762 B18R2.513832 CC(C)(O)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000764493 [0,2,0,0,0,0|2,0,0]=4 11763 B18R2.513832 CC(C)(O)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000764493 [0,2,0,0,0,0|2,0,0]=4 11764 B18R2.513832 CC(C)(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000764493 [0,2,0,0,0,0|0,0,0]=2 11765 B18R2.513832 CC(C)(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000764493 [0,2,0,0,0,0|0,0,0]=2 11766 B18R2.513832 CC(C)(O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000764493 [0,2,0,0,0,0|1,0,0]=3 11767 B18R2.513832 CC(C)(O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000764493 [0,2,0,0,0,0|1,0,0]=3 11768 B18R2.513832 CC(C)(O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000764493 [0,2,0,0,0,0|1,0,0]=3 11769 B18R2.513832 CC(C)(O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000764493 [0,2,0,0,0,0|1,0,0]=3 11770 B18R2.513832 CC(C)(O)COc1cc(c2ncccc2c1)F 34a_100009888031_100000764493 [0,2,0,0,0,0|1,0,0]=3 11771 B18R2.513832 CC(C)(O)COc1cc(c2ncccc2c1)F 7a_100009888031_100000764493 [0,2,0,0,0,0|1,0,0]=3 11772 B18R2.513832 CC(C)(O)COc1cc(c2ncccc2c1)N 34a_100000083691_100000764493 [0,2,0,0,0,0|1,0,0]=3 11773 B18R2.513832 CC(C)(O)CSc1cc(=O)c2ccccc2[nH]1 62a_100000764493_100000090176 [0,2,0,0,0,0|1,1,0]=4 11774 B18R2.513832 CC(C)(O)CSc1cc(c2ccccc2c1)N 62a_100000764493_100010171453 [0,2,0,0,0,0|0,1,0]=3 11775 B18R2.513832 CC(C)(O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000764493 [0,2,0,0,0,0|0,1,0]=3 11776 B18R2.513832 CC(C)(O)CSc1cc(c2ccccc2c1)O 62a_100000764493_100010089979 [0,2,0,0,0,0|0,1,0]=3 11777 B18R2.513832 CC(C)(O)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000764493 [0,2,0,0,0,0|1,1,0]=4 11778 B18R2.513832 CC(C)(O)CSc1cc(c2cccnc2c1)N 62a_100000764493_200010263263 [0,2,0,0,0,0|1,1,0]=4 11779 B18R2.513832 CC(C)(O)CSc1cc(c2cccnc2c1)N 62a_200010263263_100000764493 [0,2,0,0,0,0|1,1,0]=4 11780 B18R2.513832 CC(C)(O)CSc1cc(c2cnccc2c1)F 62a_100000764493_100011068762 [0,2,0,0,0,0|1,1,0]=4 11781 B18R2.513832 CC(C)(O)CSc1cc(c2cnccc2c1)F 62a_100011068762_100000764493 [0,2,0,0,0,0|1,1,0]=4 11782 B18R2.513832 CC(C)(O)CSc1cc(c2ncccc2c1)Cl 62a_100000764493_200010369337 [0,2,0,0,0,0|1,1,0]=4 11783 B18R2.513832 CC(C)(O)CSc1cc(c2ncccc2c1)F 62a_100000764493_100010234705 [0,2,0,0,0,0|1,1,0]=4 11784 B18R2.513832 CC(C)(O)CSc1cc(c2ncccc2c1)F 62a_100010234705_100000764493 [0,2,0,0,0,0|1,1,0]=4 11785 B18R2.513832 CC(C)(O)CSc1cc(c2ncccc2c1)N 62a_100000764493_100009814519 [0,2,0,0,0,0|1,1,0]=4 11786 B18R2.513832 CC(C)(O)CSc1cc(c2ncccc2c1)O 62a_100000764493_100010248853 [0,2,0,0,0,0|1,1,0]=4 11787 B18R2.513832 CC(C)(O)CSc1cc2ccccc2c(=O)[nH]1 62a_100000764493_200015811170 [0,2,0,0,0,0|1,1,0]=4 11788 B18R2.513832 CC(C)(O)CSc1cc2ccccc2c(n1)N 62a_100000764493_100009957331 [0,2,0,0,0,0|1,1,0]=4 11789 B18R2.513832 CC(C)(O)CSc1cc2ccccc2c(n1)N 62a_100009957331_100000764493 [0,2,0,0,0,0|1,1,0]=4 11790 B18R2.513832 C[N+](C)(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_200000036245 [0,2,0,0,0,0|1,1,0]=4 11791 B18R2.513832 C[N+](C)(C)CSc1cc(c2ccccc2c1)N 62a_200000036245_100010171453 [0,2,0,0,0,0|1,1,0]=4 11792 B18R2.513832 C[N+](C)(C)CSc1cc(c2ccccc2c1)O 62a_200000036245_100010089979 [0,2,0,0,0,0|1,1,0]=4 11793 B18R2.513832 C[Si](C)(C)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000233785 [0,2,0,0,0,0|1,1,0]=4 11794 B18R2.513832 C[Si](C)(C)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000233785 [0,2,0,0,0,0|0,1,0]=3 11795 B18R2.513832 C[Si](C)(C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000233785 [0,2,0,0,0,0|1,1,0]=4 11796 B18R2.513832 C[Si](C)(C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000233785 [0,2,0,0,0,0|1,1,0]=4 11797 B18R2.513832 C[Si](C)(C)COc1cc(c2ncccc2c1)F 7a_100009888031_100000233785 [0,2,0,0,0,0|1,1,0]=4 11798 B18R2.513832 C[Si](C)(C)CSc1cc(c2ccccc2c1)N 62a_100000037933_100010171453 [0,2,0,0,0,0|0,2,0]=4 11799 B18R2.513832 C[Si](C)(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000037933 [0,2,0,0,0,0|0,2,0]=4 11800 B18R2.513832 C[Si](C)(C)CSc1cc(c2ccccc2c1)O 62a_100000037933_100010089979 [0,2,0,0,0,0|0,2,0]=4 11801 B18R2.513832 Cc1cc(cc2c1nccc2)SCC(C)(C)C 62a_100011219605_100010130319 [0,2,0,0,0,0|1,1,0]=4 11802 B18R2.513832 Cc1cc(cc2c1nccc2)SCC(C)(C)F 62a_100011997219_100010130319 [0,2,0,0,0,0|1,1,0]=4 11803 B18R2.513832 Cc1cc(cc2c1nccc2)SCC(C)(C)O 62a_100000764493_100010130319 [0,2,0,0,0,0|1,1,0]=4 11804 B18R2.513832 Cc1cc(nc2c1cccc2)NCC(C)(C)C 27a_100000743828_100000184993 [0,2,0,0,0,0|2,0,0]=4 11805 B18R2.513832 Cc1cc(nc2c1cccc2)NCC(C)(C)F 27a_100020643315_100000184993 [0,2,0,0,0,0|2,0,0]=4 11806 B18R2.513832 Cc1cc(nc2c1cccc2)NCC(C)(C)O 27a_100000751335_100000184993 [0,2,0,0,0,0|2,0,0]=4 11807 B18R2.513832 Cc1cc(nc2c1cccc2)SCC(C)(C)C 62a_100011219605_100000184993 [0,2,0,0,0,0|1,1,0]=4 11808 B18R2.513832 Cc1cc(nc2c1cccc2)SCC(C)(C)C 62a_100012354972_100011219605 [0,2,0,0,0,0|1,1,0]=4 11809 B18R2.513832 Cc1cc(nc2c1cccc2)SCC(C)(C)F 62a_100011997219_100000184993 [0,2,0,0,0,0|1,1,0]=4 11810 B18R2.513832 Cc1cc(nc2c1cccc2)SCC(C)(C)F 62a_100012354972_100011997219 [0,2,0,0,0,0|1,1,0]=4 11811 B18R2.513832 Cc1cc(nc2c1cccc2)SCC(C)(C)O 62a_100000764493_100000184993 [0,2,0,0,0,0|1,1,0]=4 11812 B18R2.513832 Cc1cc(nc2c1cccc2)SCC(C)(C)O 62a_100012354972_100000764493 [0,2,0,0,0,0|1,1,0]=4 11813 B18R2.1213843 CC(C)(C)C=Cc1ccc2cccc(c2c1)N 271570a_100102527731_100010090012 [0,2,0,0,0,0|1,0,1]=4 11814 B18R2.1213843 CC(C)(C)C=Cc1ccc2cccc(c2c1)O 271570a_100102527731_100010089991 [0,2,0,0,0,0|1,0,1]=4 11815 B18R2.1213843 CC(C)(C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011219605 [0,2,0,0,0,0|1,0,0]=3 11816 B18R2.1213843 CC(C)(C)CNc1ccc2cccc(c2n1)O 27a_100000743828_100010153751 [0,2,0,0,0,0|2,0,0]=4 11817 B18R2.1213843 CC(C)(C)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100011219605 [0,2,0,0,0,0|2,0,0]=4 11818 B18R2.1213843 CC(C)(C)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011219605 [0,2,0,0,0,0|2,0,0]=4 11819 B18R2.1213843 CC(C)(C)CNc1ccc2occc(=O)c2c1 34a_100000088200_100011219605 [0,2,0,0,0,0|2,0,0]=4 11820 B18R2.1213843 CC(C)(C)COc1ccc2cccc(c2c1)F 34a_100000091619_100011219605 [0,2,0,0,0,0|0,0,0]=2 11821 B18R2.1213843 CC(C)(C)COc1ccc2cccc(c2c1)N 34a_100000034012_100011219605 [0,2,0,0,0,0|0,0,0]=2 11822 B18R2.1213843 CC(C)(C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011219605 [0,2,0,0,0,0|1,0,0]=3 11823 B18R2.1213843 CC(C)(C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011219605 [0,2,0,0,0,0|1,0,0]=3 11824 B18R2.1213843 CC(C)(C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011219605 [0,2,0,0,0,0|1,0,0]=3 11825 B18R2.1213843 CC(C)(C)CSc1ccc2[nH]ccc(=O)c2c1 62a_100011219605_100000746092 [0,2,0,0,0,0|1,1,0]=4 11826 B18R2.1213843 CC(C)(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100011219605 [0,2,0,0,0,0|0,1,0]=3 11827 B18R2.1213843 CC(C)(C)CSc1ccc2cccc(c2c1)N 62a_100011219605_100010090012 [0,2,0,0,0,0|0,1,0]=3 11828 B18R2.1213843 CC(C)(C)CSc1ccc2cccc(c2c1)O 62a_100011219605_100010089991 [0,2,0,0,0,0|0,1,0]=3 11829 B18R2.1213843 CC(C)(C)CSc1ccc2cccc(c2n1)F 62a_100011219605_100012017632 [0,2,0,0,0,0|1,1,0]=4 11830 B18R2.1213843 CC(C)(C)CSc1ccc2cccc(c2n1)O 62a_100011219605_100000013812 [0,2,0,0,0,0|1,1,0]=4 11831 B18R2.1213843 CC(C)(C)CSc1ccc2ccnc(c2c1)N 62a_100011219605_100012352255 [0,2,0,0,0,0|1,1,0]=4 11832 B18R2.1213843 CC(C)(C)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100011219605 [0,2,0,0,0,0|1,1,0]=4 11833 B18R2.1213843 CC(C)(C)CSc1ccc2ccnc(c2c1)O 62a_100011219605_100000010956 [0,2,0,0,0,0|1,1,0]=4 11834 B18R2.1213843 CC(C)(C)CSc1ccc2cncc(c2c1)O 62a_100011219605_100010136424 [0,2,0,0,0,0|1,1,0]=4 11835 B18R2.1213843 CC(C)(C)CSc1ccc2nccc(c2c1)N 62a_100011219605_100011620571 [0,2,0,0,0,0|1,1,0]=4 11836 B18R2.1213843 CC(C)(C)CSc1ccc2nccc(c2c1)N 62a_100011620571_100011219605 [0,2,0,0,0,0|1,1,0]=4 11837 B18R2.1213843 CC(C)(C)CSc1ccc2occc(=O)c2c1 62a_100011219605_100009813387 [0,2,0,0,0,0|1,1,0]=4 11838 B18R2.1213843 CC(C)(C)CSc1cnc2cccc(c2c1)N 62a_100010264086_100011219605 [0,2,0,0,0,0|1,1,0]=4 11839 B18R2.1213843 CC(C)(C)CSc1cnc2cccc(c2c1)N 62a_100011219605_100010264086 [0,2,0,0,0,0|1,1,0]=4 11840 B18R2.1213843 CC(C)(C)CSc1cnc2cccc(c2c1)O 62a_100011219605_200010153752 [0,2,0,0,0,0|1,1,0]=4 11841 B18R2.1213843 CC(C)(F)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011997219 [0,2,0,0,0,0|1,0,0]=3 11842 B18R2.1213843 CC(C)(F)CNc1ccc2cccc(c2n1)O 27a_100020643315_100010153751 [0,2,0,0,0,0|2,0,0]=4 11843 B18R2.1213843 CC(C)(F)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100011997219 [0,2,0,0,0,0|2,0,0]=4 11844 B18R2.1213843 CC(C)(F)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011997219 [0,2,0,0,0,0|2,0,0]=4 11845 B18R2.1213843 CC(C)(F)CNc1ccc2occc(=O)c2c1 34a_100000088200_100011997219 [0,2,0,0,0,0|2,0,0]=4 11846 B18R2.1213843 CC(C)(F)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011997219 [0,2,0,0,0,0|0,0,0]=2 11847 B18R2.1213843 CC(C)(F)COc1ccc2cccc(c2c1)F 34a_100000091619_100011997219 [0,2,0,0,0,0|0,0,0]=2 11848 B18R2.1213843 CC(C)(F)COc1ccc2cccc(c2c1)N 34a_100000034012_100011997219 [0,2,0,0,0,0|0,0,0]=2 11849 B18R2.1213843 CC(C)(F)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011997219 [0,2,0,0,0,0|1,0,0]=3 11850 B18R2.1213843 CC(C)(F)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011997219 [0,2,0,0,0,0|1,0,0]=3 11851 B18R2.1213843 CC(C)(F)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011997219 [0,2,0,0,0,0|1,0,0]=3 11852 B18R2.1213843 CC(C)(F)CSc1ccc2[nH]ccc(=O)c2c1 62a_100011997219_100000746092 [0,2,0,0,0,0|1,1,0]=4 11853 B18R2.1213843 CC(C)(F)CSc1ccc2cccc(c2c1)N 62a_100010090012_100011997219 [0,2,0,0,0,0|0,1,0]=3 11854 B18R2.1213843 CC(C)(F)CSc1ccc2cccc(c2c1)N 62a_100011997219_100010090012 [0,2,0,0,0,0|0,1,0]=3 11855 B18R2.1213843 CC(C)(F)CSc1ccc2cccc(c2c1)O 62a_100011997219_100010089991 [0,2,0,0,0,0|0,1,0]=3 11856 B18R2.1213843 CC(C)(F)CSc1ccc2cccc(c2n1)F 62a_100011997219_100012017632 [0,2,0,0,0,0|1,1,0]=4 11857 B18R2.1213843 CC(C)(F)CSc1ccc2cccc(c2n1)O 62a_100011997219_100000013812 [0,2,0,0,0,0|1,1,0]=4 11858 B18R2.1213843 CC(C)(F)CSc1ccc2ccnc(c2c1)N 62a_100011997219_100012352255 [0,2,0,0,0,0|1,1,0]=4 11859 B18R2.1213843 CC(C)(F)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100011997219 [0,2,0,0,0,0|1,1,0]=4 11860 B18R2.1213843 CC(C)(F)CSc1ccc2ccnc(c2c1)O 62a_100011997219_100000010956 [0,2,0,0,0,0|1,1,0]=4 11861 B18R2.1213843 CC(C)(F)CSc1ccc2cncc(c2c1)O 62a_100011997219_100010136424 [0,2,0,0,0,0|1,1,0]=4 11862 B18R2.1213843 CC(C)(F)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011997219 [0,2,0,0,0,0|1,1,0]=4 11863 B18R2.1213843 CC(C)(F)CSc1ccc2nccc(c2c1)Cl 62a_100011997219_100011310491 [0,2,0,0,0,0|1,1,0]=4 11864 B18R2.1213843 CC(C)(F)CSc1ccc2nccc(c2c1)N 62a_100011620571_100011997219 [0,2,0,0,0,0|1,1,0]=4 11865 B18R2.1213843 CC(C)(F)CSc1ccc2nccc(c2c1)N 62a_100011997219_100011620571 [0,2,0,0,0,0|1,1,0]=4 11866 B18R2.1213843 CC(C)(F)CSc1ccc2occc(=O)c2c1 62a_100011997219_100009813387 [0,2,0,0,0,0|1,1,0]=4 11867 B18R2.1213843 CC(C)(F)CSc1cnc2cccc(c2c1)N 62a_100010264086_100011997219 [0,2,0,0,0,0|1,1,0]=4 11868 B18R2.1213843 CC(C)(F)CSc1cnc2cccc(c2c1)N 62a_100011997219_100010264086 [0,2,0,0,0,0|1,1,0]=4 11869 B18R2.1213843 CC(C)(F)CSc1cnc2cccc(c2c1)O 62a_100011997219_200010153752 [0,2,0,0,0,0|1,1,0]=4 11870 B18R2.1213843 CC(C)(O)C=Cc1ccc2cccc(c2c1)N 271570a_200016258132_100010090012 [0,2,0,0,0,0|1,0,1]=4 11871 B18R2.1213843 CC(C)(O)C=Cc1ccc2cccc(c2c1)O 271570a_200016258132_100010089991 [0,2,0,0,0,0|1,0,1]=4 11872 B18R2.1213843 CC(C)(O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000764493 [0,2,0,0,0,0|1,0,0]=3 11873 B18R2.1213843 CC(C)(O)CNc1ccc2cccc(c2n1)O 27a_100000751335_100010153751 [0,2,0,0,0,0|2,0,0]=4 11874 B18R2.1213843 CC(C)(O)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100000764493 [0,2,0,0,0,0|2,0,0]=4 11875 B18R2.1213843 CC(C)(O)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000764493 [0,2,0,0,0,0|2,0,0]=4 11876 B18R2.1213843 CC(C)(O)CNc1ccc2occc(=O)c2c1 34a_100000088200_100000764493 [0,2,0,0,0,0|2,0,0]=4 11877 B18R2.1213843 CC(C)(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000764493 [0,2,0,0,0,0|0,0,0]=2 11878 B18R2.1213843 CC(C)(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000764493 [0,2,0,0,0,0|0,0,0]=2 11879 B18R2.1213843 CC(C)(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000764493 [0,2,0,0,0,0|0,0,0]=2 11880 B18R2.1213843 CC(C)(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000764493 [0,2,0,0,0,0|0,0,0]=2 11881 B18R2.1213843 CC(C)(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000764493 [0,2,0,0,0,0|0,0,0]=2 11882 B18R2.1213843 CC(C)(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000764493 [0,2,0,0,0,0|0,0,0]=2 11883 B18R2.1213843 CC(C)(O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000764493 [0,2,0,0,0,0|1,0,0]=3 11884 B18R2.1213843 CC(C)(O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000764493 [0,2,0,0,0,0|1,0,0]=3 11885 B18R2.1213843 CC(C)(O)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000764493 [0,2,0,0,0,0|2,0,0]=4 11886 B18R2.1213843 CC(C)(O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000764493 [0,2,0,0,0,0|1,0,0]=3 11887 B18R2.1213843 CC(C)(O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000764493 [0,2,0,0,0,0|1,0,0]=3 11888 B18R2.1213843 CC(C)(O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000764493 [0,2,0,0,0,0|1,0,0]=3 11889 B18R2.1213843 CC(C)(O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000764493 [0,2,0,0,0,0|1,0,0]=3 11890 B18R2.1213843 CC(C)(O)CSc1ccc2[nH]ccc(=O)c2c1 62a_100000764493_100000746092 [0,2,0,0,0,0|1,1,0]=4 11891 B18R2.1213843 CC(C)(O)CSc1ccc2cccc(c2c1)N 62a_100000764493_100010090012 [0,2,0,0,0,0|0,1,0]=3 11892 B18R2.1213843 CC(C)(O)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000764493 [0,2,0,0,0,0|0,1,0]=3 11893 B18R2.1213843 CC(C)(O)CSc1ccc2cccc(c2c1)O 62a_100000764493_100010089991 [0,2,0,0,0,0|0,1,0]=3 11894 B18R2.1213843 CC(C)(O)CSc1ccc2cccc(c2n1)F 62a_100000764493_100012017632 [0,2,0,0,0,0|1,1,0]=4 11895 B18R2.1213843 CC(C)(O)CSc1ccc2cccc(c2n1)O 62a_100000764493_100000013812 [0,2,0,0,0,0|1,1,0]=4 11896 B18R2.1213843 CC(C)(O)CSc1ccc2ccnc(c2c1)N 62a_100000764493_100012352255 [0,2,0,0,0,0|1,1,0]=4 11897 B18R2.1213843 CC(C)(O)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100000764493 [0,2,0,0,0,0|1,1,0]=4 11898 B18R2.1213843 CC(C)(O)CSc1ccc2ccnc(c2c1)O 62a_100000764493_100000010956 [0,2,0,0,0,0|1,1,0]=4 11899 B18R2.1213843 CC(C)(O)CSc1ccc2cncc(c2c1)O 62a_100000764493_100010136424 [0,2,0,0,0,0|1,1,0]=4 11900 B18R2.1213843 CC(C)(O)CSc1ccc2nccc(c2c1)Cl 62a_100000764493_100011310491 [0,2,0,0,0,0|1,1,0]=4 11901 B18R2.1213843 CC(C)(O)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000764493 [0,2,0,0,0,0|1,1,0]=4 11902 B18R2.1213843 CC(C)(O)CSc1ccc2nccc(c2c1)N 62a_100000764493_100011620571 [0,2,0,0,0,0|1,1,0]=4 11903 B18R2.1213843 CC(C)(O)CSc1ccc2nccc(c2c1)N 62a_100011620571_100000764493 [0,2,0,0,0,0|1,1,0]=4 11904 B18R2.1213843 CC(C)(O)CSc1ccc2occc(=O)c2c1 62a_100000764493_100009813387 [0,2,0,0,0,0|1,1,0]=4 11905 B18R2.1213843 CC(C)(O)CSc1cnc2cccc(c2c1)N 62a_100000764493_100010264086 [0,2,0,0,0,0|1,1,0]=4 11906 B18R2.1213843 CC(C)(O)CSc1cnc2cccc(c2c1)N 62a_100010264086_100000764493 [0,2,0,0,0,0|1,1,0]=4 11907 B18R2.1213843 CC(C)(O)CSc1cnc2cccc(c2c1)O 62a_100000764493_200010153752 [0,2,0,0,0,0|1,1,0]=4 11908 B18R2.1213843 C[N+](C)(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_200000036245 [0,2,0,0,0,0|1,1,0]=4 11909 B18R2.1213843 C[N+](C)(C)CSc1ccc2cccc(c2c1)N 62a_200000036245_100010090012 [0,2,0,0,0,0|1,1,0]=4 11910 B18R2.1213843 C[N+](C)(C)CSc1ccc2cccc(c2c1)O 62a_200000036245_100010089991 [0,2,0,0,0,0|1,1,0]=4 11911 B18R2.1213843 C[Si](C)(C)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000233785 [0,2,0,0,0,0|0,1,0]=3 11912 B18R2.1213843 C[Si](C)(C)COc1ccc2cccc(c2c1)F 7a_100000091619_100000233785 [0,2,0,0,0,0|0,1,0]=3 11913 B18R2.1213843 C[Si](C)(C)COc1ccc2cccc(c2c1)N 7a_100000034012_100000233785 [0,2,0,0,0,0|0,1,0]=3 11914 B18R2.1213843 C[Si](C)(C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000233785 [0,2,0,0,0,0|1,1,0]=4 11915 B18R2.1213843 C[Si](C)(C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000233785 [0,2,0,0,0,0|1,1,0]=4 11916 B18R2.1213843 C[Si](C)(C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000233785 [0,2,0,0,0,0|1,1,0]=4 11917 B18R2.1213843 C[Si](C)(C)CSc1ccc2cccc(c2c1)N 62a_100000037933_100010090012 [0,2,0,0,0,0|0,2,0]=4 11918 B18R2.1213843 C[Si](C)(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000037933 [0,2,0,0,0,0|0,2,0]=4 11919 B18R2.1213843 C[Si](C)(C)CSc1ccc2cccc(c2c1)O 62a_100000037933_100010089991 [0,2,0,0,0,0|0,2,0]=4 11920 B18R2.1213843 Cc1cccc2c1cc(cc2)C=CC(C)(C)O 271570a_200016258132_100010089936 [0,2,0,0,0,0|1,0,1]=4 11921 B18R2.1213843 Cc1cccc2c1cc(cc2)OCC(C)(C)C 34a_200000091600_100011219605 [0,2,0,0,0,0|0,0,0]=2 11922 B18R2.1213843 Cc1cccc2c1cc(cc2)OCC(C)(C)F 34a_200000091600_100011997219 [0,2,0,0,0,0|0,0,0]=2 11923 B18R2.1213843 Cc1cccc2c1cc(cc2)OCC(C)(C)O 34a_200000091600_100000764493 [0,2,0,0,0,0|0,0,0]=2 11924 B18R2.1213843 Cc1cccc2c1cc(cc2)OCC(C)(C)O 7a_200000091600_100000764493 [0,2,0,0,0,0|0,0,0]=2 11925 B18R2.1213843 Cc1cccc2c1cc(cc2)OC[Si](C)(C)C 7a_200000091600_100000233785 [0,2,0,0,0,0|0,1,0]=3 11926 B18R2.1213843 Cc1cccc2c1cc(cc2)SCC(C)(C)F 62a_100011997219_100010089936 [0,2,0,0,0,0|0,1,0]=3 11927 B18R2.1213843 Cc1cccc2c1cc(cc2)SCC(C)(C)O 62a_100000764493_100010089936 [0,2,0,0,0,0|0,1,0]=3 11928 B18R2.1213843 Cc1cccc2c1cc(cc2)SC[N+](C)(C)C 62a_200000036245_100010089936 [0,2,0,0,0,0|1,1,0]=4 11929 B18R2.1213843 Cc1cccc2c1nc(cc2)NCC(C)(C)C 27a_100000743828_100012002297 [0,2,0,0,0,0|2,0,0]=4 11930 B18R2.1213843 Cc1cccc2c1nc(cc2)NCC(C)(C)F 27a_100020643315_100012002297 [0,2,0,0,0,0|2,0,0]=4 11931 B18R2.1213843 Cc1cccc2c1nc(cc2)NCC(C)(C)O 27a_100000751335_100012002297 [0,2,0,0,0,0|2,0,0]=4 11932 B18R2.1213843 Cc1cccc2c1nc(cc2)SCC(C)(C)C 62a_100011219605_100012002297 [0,2,0,0,0,0|1,1,0]=4 11933 B18R2.1213843 Cc1cccc2c1nc(cc2)SCC(C)(C)F 62a_100011997219_100012002297 [0,2,0,0,0,0|1,1,0]=4 11934 B18R2.1213843 Cc1cccc2c1nc(cc2)SCC(C)(C)O 62a_100000764493_100012002297 [0,2,0,0,0,0|1,1,0]=4 11935 B18R2.1213843 Cc1ccnc2c1cc(cc2)SCC(C)(C)C 62a_100009817033_100011219605 [0,2,0,0,0,0|1,1,0]=4 11936 B18R2.1213843 Cc1ccnc2c1cc(cc2)SCC(C)(C)C 62a_100011219605_100009817033 [0,2,0,0,0,0|1,1,0]=4 11937 B18R2.1213843 Cc1ccnc2c1cc(cc2)SCC(C)(C)F 62a_100009817033_100011997219 [0,2,0,0,0,0|1,1,0]=4 11938 B18R2.1213843 Cc1ccnc2c1cc(cc2)SCC(C)(C)F 62a_100011997219_100009817033 [0,2,0,0,0,0|1,1,0]=4 11939 B18R2.1213843 Cc1ccnc2c1cc(cc2)SCC(C)(C)O 62a_100000764493_100009817033 [0,2,0,0,0,0|1,1,0]=4 11940 B18R2.1213843 Cc1ccnc2c1cc(cc2)SCC(C)(C)O 62a_100009817033_100000764493 [0,2,0,0,0,0|1,1,0]=4 11941 B18R2.1213843 Cc1nccc2c1cc(cc2)SCC(C)(C)C 62a_100011219605_200010739692 [0,2,0,0,0,0|1,1,0]=4 11942 B18R2.1213843 Cc1nccc2c1cc(cc2)SCC(C)(C)C 62a_200010739692_100011219605 [0,2,0,0,0,0|1,1,0]=4 11943 B18R2.1213843 Cc1nccc2c1cc(cc2)SCC(C)(C)F 62a_100011997219_200010739692 [0,2,0,0,0,0|1,1,0]=4 11944 B18R2.1213843 Cc1nccc2c1cc(cc2)SCC(C)(C)F 62a_200010739692_100011997219 [0,2,0,0,0,0|1,1,0]=4 11945 B18R2.1213843 Cc1nccc2c1cc(cc2)SCC(C)(C)O 62a_100000764493_200010739692 [0,2,0,0,0,0|1,1,0]=4 11946 B18R2.1213843 Cc1nccc2c1cc(cc2)SCC(C)(C)O 62a_200010739692_100000764493 [0,2,0,0,0,0|1,1,0]=4 11947 B18R2.2929722 CC(C)(C)C=Cc1ccc2ccccc2c1N 271570a_100102527731_100009817101 [0,2,0,0,0,0|1,0,1]=4 11948 B18R2.2929722 CC(C)(C)C=Cc1ccc2ccccc2c1O 271570a_100102527731_100009996032 [0,2,0,0,0,0|1,0,1]=4 11949 B18R2.2929722 CC(C)(C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011219605 [0,2,0,0,0,0|1,0,0]=3 11950 B18R2.2929722 CC(C)(C)CNc1ccc2ccccc2c1O 34a_100000007060_100011219605 [0,2,0,0,0,0|1,0,0]=3 11951 B18R2.2929722 CC(C)(C)CNc1ccc2cnccc2c1Cl 34a_100009851981_100011219605 [0,2,0,0,0,0|2,0,0]=4 11952 B18R2.2929722 CC(C)(C)CNc1ccc2ncccc2c1Br 34a_200009995563_100011219605 [0,2,0,0,0,0|2,0,0]=4 11953 B18R2.2929722 CC(C)(C)COc1ccc2ccccc2c1Cl 34a_100000029778_100011219605 [0,2,0,0,0,0|0,0,0]=2 11954 B18R2.2929722 CC(C)(C)COc1ccc2ccccc2c1I 34a_100000041551_100011219605 [0,2,0,0,0,0|0,0,0]=2 11955 B18R2.2929722 CC(C)(C)COc1ccc2ccccc2c1N 34a_100000007056_100011219605 [0,2,0,0,0,0|0,0,0]=2 11956 B18R2.2929722 CC(C)(C)COc1ccc2cccnc2c1Br 34a_100010173343_100011219605 [0,2,0,0,0,0|1,0,0]=3 11957 B18R2.2929722 CC(C)(C)COc1ccc2ccncc2c1Br 34a_200010115057_100011219605 [0,2,0,0,0,0|1,0,0]=3 11958 B18R2.2929722 CC(C)(C)COc1ccc2cnccc2c1Cl 34a_100009824633_100011219605 [0,2,0,0,0,0|1,0,0]=3 11959 B18R2.2929722 CC(C)(C)CSc1c[nH]c2ccccc2c1=O 62a_100011219605_100012348052 [0,2,0,0,0,0|1,1,0]=4 11960 B18R2.2929722 CC(C)(C)CSc1ccc2ccccc2c1N 62a_100009817101_100011219605 [0,2,0,0,0,0|0,1,0]=3 11961 B18R2.2929722 CC(C)(C)CSc1ccc2ccccc2c1O 62a_100011219605_100009996032 [0,2,0,0,0,0|0,1,0]=3 11962 B18R2.2929722 CC(C)(C)CSc1ccc2cccnc2c1F 62a_100010751467_100011219605 [0,2,0,0,0,0|1,1,0]=4 11963 B18R2.2929722 CC(C)(C)CSc1ccc2cccnc2c1F 62a_100011219605_100010751467 [0,2,0,0,0,0|1,1,0]=4 11964 B18R2.2929722 CC(C)(C)CSc1ccc2cccnc2c1O 62a_100011219605_100009816563 [0,2,0,0,0,0|1,1,0]=4 11965 B18R2.2929722 CC(C)(C)CSc1ccc2cnccc2c1N 62a_100010191621_100011219605 [0,2,0,0,0,0|1,1,0]=4 11966 B18R2.2929722 CC(C)(C)CSc1ccc2cnccc2c1N 62a_100011219605_100010191621 [0,2,0,0,0,0|1,1,0]=4 11967 B18R2.2929722 CC(C)(C)CSc1ccc2ncccc2c1N 62a_200010235790_100011219605 [0,2,0,0,0,0|1,1,0]=4 11968 B18R2.2929722 CC(C)(C)CSc1cnc2ccccc2c1N 62a_100009995562_100011219605 [0,2,0,0,0,0|1,1,0]=4 11969 B18R2.2929722 CC(C)(C)CSc1cnc2ccccc2c1N 62a_100011219605_100009995562 [0,2,0,0,0,0|1,1,0]=4 11970 B18R2.2929722 CC(C)(C)CSc1coc2ccccc2c1=O 62a_100011219605_100009813851 [0,2,0,0,0,0|1,1,0]=4 11971 B18R2.2929722 CC(C)(C)CSc1ncc2ccccc2c1N 62a_100009995564_100011219605 [0,2,0,0,0,0|1,1,0]=4 11972 B18R2.2929722 CC(C)(C)CSc1ncc2ccccc2c1N 62a_100011219605_100000087573 [0,2,0,0,0,0|1,1,0]=4 11973 B18R2.2929722 CC(C)(C)NCc1ccc2ccccc2c1Br 207a_100000715429_100009813496 [0,2,0,0,0,0|2,0,0]=4 11974 B18R2.2929722 CC(C)(C)NCc1ccc2ccccc2c1Br 2230a_100000715429_100009813938 [0,2,0,0,0,0|2,0,0]=4 11975 B18R2.2929722 CC(C)(C)OCc1ccc2ccccc2c1Br 34a_100015890283_100009813938 [0,2,0,0,0,0|2,0,0]=4 11976 B18R2.2929722 CC(C)(C)OCc1ccc2ccccc2c1Br 7a_100015890283_100009813938 [0,2,0,0,0,0|2,0,0]=4 11977 B18R2.2929722 CC(C)(F)CNc1ccc2ccccc2c1Br 34a_100000705303_100011997219 [0,2,0,0,0,0|1,0,0]=3 11978 B18R2.2929722 CC(C)(F)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011997219 [0,2,0,0,0,0|1,0,0]=3 11979 B18R2.2929722 CC(C)(F)CNc1ccc2ccccc2c1O 34a_100000007060_100011997219 [0,2,0,0,0,0|1,0,0]=3 11980 B18R2.2929722 CC(C)(F)CNc1ccc2cnccc2c1Cl 34a_100009851981_100011997219 [0,2,0,0,0,0|2,0,0]=4 11981 B18R2.2929722 CC(C)(F)CNc1ccc2ncccc2c1Br 34a_200009995563_100011997219 [0,2,0,0,0,0|2,0,0]=4 11982 B18R2.2929722 CC(C)(F)COc1ccc2ccccc2c1Br 34a_100000183829_100011997219 [0,2,0,0,0,0|0,0,0]=2 11983 B18R2.2929722 CC(C)(F)COc1ccc2ccccc2c1Cl 34a_100000029778_100011997219 [0,2,0,0,0,0|0,0,0]=2 11984 B18R2.2929722 CC(C)(F)COc1ccc2ccccc2c1I 34a_100000041551_100011997219 [0,2,0,0,0,0|0,0,0]=2 11985 B18R2.2929722 CC(C)(F)COc1ccc2ccccc2c1N 34a_100000007056_100011997219 [0,2,0,0,0,0|0,0,0]=2 11986 B18R2.2929722 CC(C)(F)COc1ccc2cccnc2c1Br 34a_100010173343_100011997219 [0,2,0,0,0,0|1,0,0]=3 11987 B18R2.2929722 CC(C)(F)COc1ccc2ccncc2c1Br 34a_200010115057_100011997219 [0,2,0,0,0,0|1,0,0]=3 11988 B18R2.2929722 CC(C)(F)COc1ccc2cnccc2c1Cl 34a_100009824633_100011997219 [0,2,0,0,0,0|1,0,0]=3 11989 B18R2.2929722 CC(C)(F)CSc1c[nH]c2ccccc2c1=O 62a_100011997219_100012348052 [0,2,0,0,0,0|1,1,0]=4 11990 B18R2.2929722 CC(C)(F)CSc1ccc2ccccc2c1F 62a_100009832041_100011997219 [0,2,0,0,0,0|0,1,0]=3 11991 B18R2.2929722 CC(C)(F)CSc1ccc2ccccc2c1F 62a_100011997219_100009832041 [0,2,0,0,0,0|0,1,0]=3 11992 B18R2.2929722 CC(C)(F)CSc1ccc2ccccc2c1N 62a_100009817101_100011997219 [0,2,0,0,0,0|0,1,0]=3 11993 B18R2.2929722 CC(C)(F)CSc1ccc2ccccc2c1O 62a_100011997219_100009996032 [0,2,0,0,0,0|0,1,0]=3 11994 B18R2.2929722 CC(C)(F)CSc1ccc2cccnc2c1F 62a_100010751467_100011997219 [0,2,0,0,0,0|1,1,0]=4 11995 B18R2.2929722 CC(C)(F)CSc1ccc2cccnc2c1F 62a_100011997219_100010751467 [0,2,0,0,0,0|1,1,0]=4 11996 B18R2.2929722 CC(C)(F)CSc1ccc2cccnc2c1O 62a_100011997219_100009816563 [0,2,0,0,0,0|1,1,0]=4 11997 B18R2.2929722 CC(C)(F)CSc1ccc2cnccc2c1N 62a_100010191621_100011997219 [0,2,0,0,0,0|1,1,0]=4 11998 B18R2.2929722 CC(C)(F)CSc1ccc2cnccc2c1N 62a_100011997219_100010191621 [0,2,0,0,0,0|1,1,0]=4 11999 B18R2.2929722 CC(C)(F)CSc1ccc2ncccc2c1N 62a_200010235790_100011997219 [0,2,0,0,0,0|1,1,0]=4 12000 B18R2.2929722 CC(C)(F)CSc1cnc2ccccc2c1Cl 62a_100011997219_100012352519 [0,2,0,0,0,0|1,1,0]=4 12001 B18R2.2929722 CC(C)(F)CSc1cnc2ccccc2c1N 62a_100009995562_100011997219 [0,2,0,0,0,0|1,1,0]=4 12002 B18R2.2929722 CC(C)(F)CSc1cnc2ccccc2c1N 62a_100011997219_100009995562 [0,2,0,0,0,0|1,1,0]=4 12003 B18R2.2929722 CC(C)(F)CSc1coc2ccccc2c1=O 62a_100011997219_100009813851 [0,2,0,0,0,0|1,1,0]=4 12004 B18R2.2929722 CC(C)(F)CSc1ncc2ccccc2c1N 62a_100009995564_100011997219 [0,2,0,0,0,0|1,1,0]=4 12005 B18R2.2929722 CC(C)(F)CSc1ncc2ccccc2c1N 62a_100011997219_100000087573 [0,2,0,0,0,0|1,1,0]=4 12006 B18R2.2929722 CC(C)(O)C=Cc1ccc2ccccc2c1Br 271570a_200016258132_200010089984 [0,2,0,0,0,0|1,0,1]=4 12007 B18R2.2929722 CC(C)(O)C=Cc1ccc2ccccc2c1F 271570a_200016258132_100009832041 [0,2,0,0,0,0|1,0,1]=4 12008 B18R2.2929722 CC(C)(O)C=Cc1ccc2ccccc2c1N 271570a_200016258132_100009817101 [0,2,0,0,0,0|1,0,1]=4 12009 B18R2.2929722 CC(C)(O)C=Cc1ccc2ccccc2c1O 271570a_200016258132_100009996032 [0,2,0,0,0,0|1,0,1]=4 12010 B18R2.2929722 CC(C)(O)CNc1ccc2ccccc2c1Br 34a_100000705303_100000764493 [0,2,0,0,0,0|1,0,0]=3 12011 B18R2.2929722 CC(C)(O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000764493 [0,2,0,0,0,0|1,0,0]=3 12012 B18R2.2929722 CC(C)(O)CNc1ccc2ccccc2c1O 34a_100000007060_100000764493 [0,2,0,0,0,0|1,0,0]=3 12013 B18R2.2929722 CC(C)(O)CNc1ccc2cnccc2c1Cl 34a_100009851981_100000764493 [0,2,0,0,0,0|2,0,0]=4 12014 B18R2.2929722 CC(C)(O)CNc1ccc2ncccc2c1Br 34a_200009995563_100000764493 [0,2,0,0,0,0|2,0,0]=4 12015 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1Br 34a_100000183829_100000764493 [0,2,0,0,0,0|0,0,0]=2 12016 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1Br 7a_100000183829_100000764493 [0,2,0,0,0,0|0,0,0]=2 12017 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000764493 [0,2,0,0,0,0|0,0,0]=2 12018 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000764493 [0,2,0,0,0,0|0,0,0]=2 12019 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1I 34a_100000041551_100000764493 [0,2,0,0,0,0|0,0,0]=2 12020 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1I 7a_100000041551_100000764493 [0,2,0,0,0,0|0,0,0]=2 12021 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1N 34a_100000007056_100000764493 [0,2,0,0,0,0|0,0,0]=2 12022 B18R2.2929722 CC(C)(O)COc1ccc2ccccc2c1N 7a_100000007056_100000764493 [0,2,0,0,0,0|0,0,0]=2 12023 B18R2.2929722 CC(C)(O)COc1ccc2cccnc2c1Br 34a_100010173343_100000764493 [0,2,0,0,0,0|1,0,0]=3 12024 B18R2.2929722 CC(C)(O)COc1ccc2cccnc2c1Br 7a_100010173343_100000764493 [0,2,0,0,0,0|1,0,0]=3 12025 B18R2.2929722 CC(C)(O)COc1ccc2ccncc2c1Br 34a_200010115057_100000764493 [0,2,0,0,0,0|1,0,0]=3 12026 B18R2.2929722 CC(C)(O)COc1ccc2ccncc2c1Br 7a_200010115057_100000764493 [0,2,0,0,0,0|1,0,0]=3 12027 B18R2.2929722 CC(C)(O)COc1ccc2cnccc2c1Cl 34a_100009824633_100000764493 [0,2,0,0,0,0|1,0,0]=3 12028 B18R2.2929722 CC(C)(O)COc1ccc2cnccc2c1Cl 7a_100009824633_100000764493 [0,2,0,0,0,0|1,0,0]=3 12029 B18R2.2929722 CC(C)(O)CSc1c[nH]c2ccccc2c1=O 62a_100000764493_100012348052 [0,2,0,0,0,0|1,1,0]=4 12030 B18R2.2929722 CC(C)(O)CSc1ccc2ccccc2c1Br 62a_100000764493_200010089984 [0,2,0,0,0,0|0,1,0]=3 12031 B18R2.2929722 CC(C)(O)CSc1ccc2ccccc2c1Br 62a_200010089984_100000764493 [0,2,0,0,0,0|0,1,0]=3 12032 B18R2.2929722 CC(C)(O)CSc1ccc2ccccc2c1F 62a_100000764493_100009832041 [0,2,0,0,0,0|0,1,0]=3 12033 B18R2.2929722 CC(C)(O)CSc1ccc2ccccc2c1F 62a_100009832041_100000764493 [0,2,0,0,0,0|0,1,0]=3 12034 B18R2.2929722 CC(C)(O)CSc1ccc2ccccc2c1N 62a_100009817101_100000764493 [0,2,0,0,0,0|0,1,0]=3 12035 B18R2.2929722 CC(C)(O)CSc1ccc2ccccc2c1O 62a_100000764493_100009996032 [0,2,0,0,0,0|0,1,0]=3 12036 B18R2.2929722 CC(C)(O)CSc1ccc2cccnc2c1F 62a_100000764493_100010751467 [0,2,0,0,0,0|1,1,0]=4 12037 B18R2.2929722 CC(C)(O)CSc1ccc2cccnc2c1F 62a_100010751467_100000764493 [0,2,0,0,0,0|1,1,0]=4 12038 B18R2.2929722 CC(C)(O)CSc1ccc2cccnc2c1O 62a_100000764493_100009816563 [0,2,0,0,0,0|1,1,0]=4 12039 B18R2.2929722 CC(C)(O)CSc1ccc2cnccc2c1N 62a_100000764493_100010191621 [0,2,0,0,0,0|1,1,0]=4 12040 B18R2.2929722 CC(C)(O)CSc1ccc2cnccc2c1N 62a_100010191621_100000764493 [0,2,0,0,0,0|1,1,0]=4 12041 B18R2.2929722 CC(C)(O)CSc1ccc2ncccc2c1N 62a_200010235790_100000764493 [0,2,0,0,0,0|1,1,0]=4 12042 B18R2.2929722 CC(C)(O)CSc1cnc2ccccc2c1Cl 62a_100000764493_100012352519 [0,2,0,0,0,0|1,1,0]=4 12043 B18R2.2929722 CC(C)(O)CSc1cnc2ccccc2c1N 62a_100000764493_100009995562 [0,2,0,0,0,0|1,1,0]=4 12044 B18R2.2929722 CC(C)(O)CSc1cnc2ccccc2c1N 62a_100009995562_100000764493 [0,2,0,0,0,0|1,1,0]=4 12045 B18R2.2929722 CC(C)(O)CSc1coc2ccccc2c1=O 62a_100000764493_100009813851 [0,2,0,0,0,0|1,1,0]=4 12046 B18R2.2929722 CC(C)(O)CSc1ncc2ccccc2c1N 62a_100000764493_100000087573 [0,2,0,0,0,0|1,1,0]=4 12047 B18R2.2929722 CC(C)(O)CSc1ncc2ccccc2c1N 62a_100009995564_100000764493 [0,2,0,0,0,0|1,1,0]=4 12048 B18R2.2929722 C[N+](C)(C)CSc1ccc2ccccc2c1Br 62a_200000036245_200010089984 [0,2,0,0,0,0|1,1,0]=4 12049 B18R2.2929722 C[N+](C)(C)CSc1ccc2ccccc2c1Br 62a_200010089984_200000036245 [0,2,0,0,0,0|1,1,0]=4 12050 B18R2.2929722 C[N+](C)(C)CSc1ccc2ccccc2c1F 62a_100009832041_200000036245 [0,2,0,0,0,0|1,1,0]=4 12051 B18R2.2929722 C[N+](C)(C)CSc1ccc2ccccc2c1F 62a_200000036245_100009832041 [0,2,0,0,0,0|1,1,0]=4 12052 B18R2.2929722 C[N+](C)(C)CSc1ccc2ccccc2c1N 62a_100009817101_200000036245 [0,2,0,0,0,0|1,1,0]=4 12053 B18R2.2929722 C[N+](C)(C)CSc1ccc2ccccc2c1O 62a_200000036245_100009996032 [0,2,0,0,0,0|1,1,0]=4 12054 B18R2.2929722 C[Si](C)(C)COc1ccc2ccccc2c1Br 7a_100000183829_100000233785 [0,2,0,0,0,0|0,1,0]=3 12055 B18R2.2929722 C[Si](C)(C)COc1ccc2ccccc2c1Cl 7a_100000029778_100000233785 [0,2,0,0,0,0|0,1,0]=3 12056 B18R2.2929722 C[Si](C)(C)COc1ccc2ccccc2c1I 7a_100000041551_100000233785 [0,2,0,0,0,0|0,1,0]=3 12057 B18R2.2929722 C[Si](C)(C)COc1ccc2ccccc2c1N 7a_100000007056_100000233785 [0,2,0,0,0,0|0,1,0]=3 12058 B18R2.2929722 C[Si](C)(C)COc1ccc2cccnc2c1Br 7a_100010173343_100000233785 [0,2,0,0,0,0|1,1,0]=4 12059 B18R2.2929722 C[Si](C)(C)COc1ccc2ccncc2c1Br 7a_200010115057_100000233785 [0,2,0,0,0,0|1,1,0]=4 12060 B18R2.2929722 C[Si](C)(C)COc1ccc2cnccc2c1Cl 7a_100009824633_100000233785 [0,2,0,0,0,0|1,1,0]=4 12061 B18R2.2929722 C[Si](C)(C)CSc1ccc2ccccc2c1F 62a_100000037933_100009832041 [0,2,0,0,0,0|0,2,0]=4 12062 B18R2.2929722 C[Si](C)(C)CSc1ccc2ccccc2c1F 62a_100009832041_100000037933 [0,2,0,0,0,0|0,2,0]=4 12063 B18R2.2929722 C[Si](C)(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000037933 [0,2,0,0,0,0|0,2,0]=4 12064 B18R2.2929722 C[Si](C)(C)CSc1ccc2ccccc2c1O 62a_100000037933_100009996032 [0,2,0,0,0,0|0,2,0]=4 12065 B18R2.2929722 Cc1c(ccc2c1cccc2)C=CC(C)(C)O 271570a_200016258132_100010221197 [0,2,0,0,0,0|1,0,1]=4 12066 B18R2.2929722 Cc1c(ccc2c1cccc2)OCC(C)(C)C 34a_100009830054_100011219605 [0,2,0,0,0,0|0,0,0]=2 12067 B18R2.2929722 Cc1c(ccc2c1cccc2)OCC(C)(C)F 34a_100009830054_100011997219 [0,2,0,0,0,0|0,0,0]=2 12068 B18R2.2929722 Cc1c(ccc2c1cccc2)OCC(C)(C)O 34a_100009830054_100000764493 [0,2,0,0,0,0|0,0,0]=2 12069 B18R2.2929722 Cc1c(ccc2c1cccc2)OCC(C)(C)O 7a_100009830054_100000764493 [0,2,0,0,0,0|0,0,0]=2 12070 B18R2.2929722 Cc1c(ccc2c1cccc2)OC[Si](C)(C)C 7a_100009830054_100000233785 [0,2,0,0,0,0|0,1,0]=3 12071 B18R2.2929722 Cc1c(ccc2c1cccc2)SCC(C)(C)F 62a_100010221197_100011997219 [0,2,0,0,0,0|0,1,0]=3 12072 B18R2.2929722 Cc1c(ccc2c1cccc2)SCC(C)(C)F 62a_100011997219_100010221197 [0,2,0,0,0,0|0,1,0]=3 12073 B18R2.2929722 Cc1c(ccc2c1cccc2)SCC(C)(C)O 62a_100000764493_100010221197 [0,2,0,0,0,0|0,1,0]=3 12074 B18R2.2929722 Cc1c(ccc2c1cccc2)SCC(C)(C)O 62a_100010221197_100000764493 [0,2,0,0,0,0|0,1,0]=3 12075 B18R2.2929722 Cc1c(ccc2c1cccc2)SC[N+](C)(C)C 62a_100010221197_200000036245 [0,2,0,0,0,0|1,1,0]=4 12076 B18R2.2929722 Cc1c(ccc2c1cccc2)SC[N+](C)(C)C 62a_200000036245_100010221197 [0,2,0,0,0,0|1,1,0]=4 12077 B18R2.2929722 Cc1c(ccc2c1cccn2)SCC(C)(C)C 62a_100011219605_200010137439 [0,2,0,0,0,0|1,1,0]=4 12078 B18R2.2929722 Cc1c(ccc2c1cccn2)SCC(C)(C)C 62a_200010137439_100011219605 [0,2,0,0,0,0|1,1,0]=4 12079 B18R2.2929722 Cc1c(ccc2c1cccn2)SCC(C)(C)F 62a_100011997219_200010137439 [0,2,0,0,0,0|1,1,0]=4 12080 B18R2.2929722 Cc1c(ccc2c1cccn2)SCC(C)(C)F 62a_200010137439_100011997219 [0,2,0,0,0,0|1,1,0]=4 12081 B18R2.2929722 Cc1c(ccc2c1cccn2)SCC(C)(C)O 62a_100000764493_200010137439 [0,2,0,0,0,0|1,1,0]=4 12082 B18R2.2929722 Cc1c(ccc2c1cccn2)SCC(C)(C)O 62a_200010137439_100000764493 [0,2,0,0,0,0|1,1,0]=4 12083 B18R2.2929722 Cc1c(ccc2c1nccc2)SCC(C)(C)C 62a_100011219605_100010214467 [0,2,0,0,0,0|1,1,0]=4 12084 B18R2.2929722 Cc1c(ccc2c1nccc2)SCC(C)(C)F 62a_100011997219_100010214467 [0,2,0,0,0,0|1,1,0]=4 12085 B18R2.2929722 Cc1c(ccc2c1nccc2)SCC(C)(C)O 62a_100000764493_100010214467 [0,2,0,0,0,0|1,1,0]=4 12086 B18R2.4832 CC(C)CC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100000210624 [0,2,0,0,0,0|1,0,0]=3 12087 B18R2.4832 CC(C)CC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100000210624 [0,2,0,0,0,0|1,0,0]=3 12088 B18R2.4832 CC(C)CC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100000210624 [0,2,0,0,0,0|2,0,0]=4 12089 B18R2.4832 CC(C)C[C@H](N)c1c[nH]c2ccccc2c1=O 271570a_100015190218_100012339567 [0,2,0,0,0,0|2,0,0]=4 12090 B18R2.4832 CC(C)C[C@H](N)c1ccc2ccccc2c1Br 271570a_100015190218_200010089984 [0,2,0,0,0,0|1,0,0]=3 12091 B18R2.4832 CC(C)C[C@H](N)c1ccc2ccccc2c1F 271570a_100015190218_100009832041 [0,2,0,0,0,0|1,0,0]=3 12092 B18R2.4832 CC(C)C[C@H](N)c1ccc2ccccc2c1N 271570a_100015190218_100009817101 [0,2,0,0,0,0|1,0,0]=3 12093 B18R2.4832 CC(C)C[C@H](N)c1ccc2ccccc2c1O 271570a_100015190218_100009996032 [0,2,0,0,0,0|1,0,0]=3 12094 B18R2.4832 CC(C)C[C@H](N)c1ccc2cccnc2c1F 271570a_100015190218_100010751467 [0,2,0,0,0,0|2,0,0]=4 12095 B18R2.4832 CC(C)C[C@H](N)c1ccc2cccnc2c1O 271570a_100015190218_100009816563 [0,2,0,0,0,0|2,0,0]=4 12096 B18R2.4832 CC(C)C[C@H](N)c1ccc2cnccc2c1N 271570a_100015190218_100010191621 [0,2,0,0,0,0|2,0,0]=4 12097 B18R2.4832 CC(C)C[C@H](N)c1ccc2ncccc2c1N 271570a_100015190218_200010235790 [0,2,0,0,0,0|2,0,0]=4 12098 B18R2.4832 CC(C)C[C@H](N)c1cnc2ccccc2c1Cl 271570a_100015190218_100012352519 [0,2,0,0,0,0|2,0,0]=4 12099 B18R2.4832 CC(C)C[C@H](N)c1cnc2ccccc2c1N 271570a_100015190218_100009995562 [0,2,0,0,0,0|2,0,0]=4 12100 B18R2.4832 CC(C)C[C@H](N)c1coc2ccccc2c1=O 271570a_100015190218_100009813851 [0,2,0,0,0,0|2,0,0]=4 12101 B18R2.4832 CC(C)C[C@H](N)c1ncc2ccccc2c1N 271570a_100015190218_100000087573 [0,2,0,0,0,0|2,0,0]=4 12102 B18R2.4832 CC(C)NC(=O)c1ccc2ccccc2c1Br 11a_100138425928_100000239384 [0,2,0,0,0,0|2,0,0]=4 12103 B18R2.4832 CC(C)NC(=O)c1ccc2ccccc2c1Br 1626a_100138425928_100000239384 [0,2,0,0,0,0|2,0,0]=4 12104 B18R2.4832 CC(C)NC(=O)c1ccc2ccccc2c1Br 240690a_100138425928_100000239384 [0,2,0,0,0,0|2,0,0]=4 12105 B18R2.4832 CC(C)NC(=O)c1ccc2ccccc2c1Br 527a_100138425928_100000239384 [0,2,0,0,0,0|2,0,0]=4 12106 B18R2.4832 CC(C)NC(=O)c1ccc2ccccc2c1O 240690a_100138425928_100000181341 [0,2,0,0,0,0|2,0,0]=4 12107 B18R2.4832 CC(C)NC(=O)c1ccc2ccccc2c1O 527a_100138425928_100000181341 [0,2,0,0,0,0|2,0,0]=4 12108 B18R2.4832 CC(O)CC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100011218427 [0,2,0,0,0,0|2,0,0]=4 12109 B18R2.4832 CC(O)CC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100011218427 [0,2,0,0,0,0|2,0,0]=4 12110 B18R2.4832 Cc1c(ccc2c1cccc2)[C@@H](N)CC(C)C 271570a_100015190218_100010221197 [0,2,0,0,0,0|1,0,0]=3 12111 B18R2.4832 Cc1c(ccc2c1cccn2)[C@@H](N)CC(C)C 271570a_100015190218_200010137439 [0,2,0,0,0,0|2,0,0]=4 12112 B18R2.4832 Cc1c(ccc2c1nccc2)[C@@H](N)CC(C)C 271570a_100015190218_100010214467 [0,2,0,0,0,0|2,0,0]=4 12113 B18R2.10435 CC(C)OC(CN)c1ccc2ccccc2c1 34a_100000754022_100000210206 [0,2,0,0,0,0|2,0,0]=4 12114 B18R2.10435 CCN(CC(C)C)c1ccc2ccccc2c1 2230a_100000220149_100000210760 [0,2,0,0,0,0|1,0,0]=3 12115 B18R2.10435 CCN(CC(C)C)c1ccc2ccccc2c1 269982a_100000220149_100000210624 [0,2,0,0,0,0|1,0,0]=3 12116 B18R2.10435 CCN(CC(C)C)c1ccc2ccccc2c1 34a_100000220149_100000210624 [0,2,0,0,0,0|1,0,0]=3 12117 B18R2.10435 CCN(CC(C)C)c1ccc2ccccc2c1 7a_100000220149_100000210760 [0,2,0,0,0,0|1,0,0]=3 12118 B18R2.10435 CCN(CC(C)C)c1ccc2ccccc2n1 27a_100000738554_100011291633 [0,2,0,0,0,0|2,0,0]=4 12119 B18R2.10435 CCN(CC(C)O)c1ccc2ccccc2c1 2230a_100000220149_100011218427 [0,2,0,0,0,0|2,0,0]=4 12120 B18R2.10435 CCN(CC(C)O)c1ccc2ccccc2c1 269982a_100000220149_100011218427 [0,2,0,0,0,0|2,0,0]=4 12121 B18R2.10435 CCN(CC(C)O)c1ccc2ccccc2c1 34a_100000220149_100011218427 [0,2,0,0,0,0|2,0,0]=4 12122 B18R2.10435 CCN(CC(C)O)c1ccc2ccccc2c1 7a_100000220149_100011218427 [0,2,0,0,0,0|2,0,0]=4 12123 B18R2.10435 CCN(C[C@@H](C)O)c1ccc2ccccc2c1 2230a_100000220149_100009817552 [0,2,0,0,0,0|2,0,0]=4 12124 B18R2.10435 CCN(C[C@@H](C)O)c1ccc2ccccc2c1 269982a_100000220149_100009817552 [0,2,0,0,0,0|2,0,0]=4 12125 B18R2.10435 CCN(C[C@@H](C)O)c1ccc2ccccc2c1 34a_100000220149_100009817552 [0,2,0,0,0,0|2,0,0]=4 12126 B18R2.10435 CCN(C[C@@H](C)O)c1ccc2ccccc2c1 7a_100000220149_100009817552 [0,2,0,0,0,0|2,0,0]=4 12127 B18R2.10435 CC[C@H](NC(C)C)c1ccc2ccccc2c1 2230a_100020639264_100000210206 [0,2,0,0,0,0|2,0,0]=4 12128 B18R2.31384 CC(C)CC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100000210624 [0,2,0,0,0,0|1,0,0]=3 12129 B18R2.31384 CC(C)CC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_100000210624 [0,2,0,0,0,0|2,0,0]=4 12130 B18R2.31384 CC(C)C[C@H](N)c1cc2cc(ccc2cn1)F 271570a_100015190218_100009828686 [0,2,0,0,0,0|2,0,0]=4 12131 B18R2.31384 CC(C)C[C@H](N)c1ccc2cc[n+](cc2c1)[O-] 271570a_100015190218_100009816120 [0,2,0,0,0,0|2,0,0]=4 12132 B18R2.31384 CC(C)C[C@H](N)c1ccc2ccc(=O)oc2c1 271570a_100015190218_100009993525 [0,2,0,0,0,0|2,0,0]=4 12133 B18R2.31384 CC(C)C[C@H](N)c1ccc2ccc(cc2c1)N 271570a_100015190218_100010090036 [0,2,0,0,0,0|1,0,0]=3 12134 B18R2.31384 CC(C)C[C@H](N)c1ccc2ccc(cc2c1)O 271570a_100015190218_100009816537 [0,2,0,0,0,0|1,0,0]=3 12135 B18R2.31384 CC(C)C[C@H](N)c1ccc2ccc(cc2n1)O 271570a_100015190218_100000079174 [0,2,0,0,0,0|2,0,0]=4 12136 B18R2.31384 CC(C)C[C@H](N)c1ccc2ccc(nc2c1)N 271570a_100015190218_100010187616 [0,2,0,0,0,0|2,0,0]=4 12137 B18R2.31384 CC(C)C[C@H](N)c1ccc2ccc(nc2c1)O 271570a_100015190218_100000690401 [0,2,0,0,0,0|2,0,0]=4 12138 B18R2.31384 CC(C)C[C@H](N)c1ccc2cnc(cc2c1)F 271570a_100015190218_100010291885 [0,2,0,0,0,0|2,0,0]=4 12139 B18R2.31384 CC(C)C[C@H](N)c1ccc2cnc(cc2c1)N 271570a_100015190218_100009817123 [0,2,0,0,0,0|2,0,0]=4 12140 B18R2.31384 CC(C)C[C@H](N)c1ccc2cnc(cc2c1)O 271570a_100015190218_100009817130 [0,2,0,0,0,0|2,0,0]=4 12141 B18R2.31384 CC(C)C[C@H](N)c1ccc2ncc(cc2c1)Br 271570a_100015190218_200010254249 [0,2,0,0,0,0|2,0,0]=4 12142 B18R2.31384 CC(C)C[C@H](N)c1ccc2ncc(cc2c1)O 271570a_100015190218_100000703654 [0,2,0,0,0,0|2,0,0]=4 12143 B18R2.31384 CC(C)C[C@H](N)c1cnc2ccc(cc2c1)Br 271570a_100015190218_100010740133 [0,2,0,0,0,0|2,0,0]=4 12144 B18R2.31384 CC(C)C[C@H](N)c1cnc2ccc(cc2c1)Cl 271570a_100015190218_100015929906 [0,2,0,0,0,0|2,0,0]=4 12145 B18R2.31384 CC(C)C[C@H](N)c1cnc2ccc(cc2c1)N 271570a_100015190218_100009888932 [0,2,0,0,0,0|2,0,0]=4 12146 B18R2.31384 CC(C)C[C@H](N)c1cnc2ccc(cc2c1)O 271570a_100015190218_100010137430 [0,2,0,0,0,0|2,0,0]=4 12147 B18R2.31384 CC(C)NC(=O)c1ccc2ccc(cc2c1)Br 11a_100138425928_200010152650 [0,2,0,0,0,0|2,0,0]=4 12148 B18R2.31384 CC(C)NC(=O)c1ccc2ccc(cc2c1)Br 1626a_100138425928_200010152650 [0,2,0,0,0,0|2,0,0]=4 12149 B18R2.31384 CC(C)NC(=O)c1ccc2ccc(cc2c1)Br 240690a_100138425928_200010152650 [0,2,0,0,0,0|2,0,0]=4 12150 B18R2.31384 CC(C)NC(=O)c1ccc2ccc(cc2c1)Br 527a_100138425928_200010152650 [0,2,0,0,0,0|2,0,0]=4 12151 B18R2.31384 CC(C)NC(=O)c1ccc2ccc(cc2c1)O 240690a_100138425928_100009860967 [0,2,0,0,0,0|2,0,0]=4 12152 B18R2.31384 CC(O)CC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100011218427 [0,2,0,0,0,0|2,0,0]=4 12153 B18R2.31384 Cc1ccc2ccc(cc2n1)[C@@H](N)CC(C)C 271570a_100015190218_100009817087 [0,2,0,0,0,0|2,0,0]=4 12154 B18R2.31384 Cc1ccc2ncc(cc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100015841224 [0,2,0,0,0,0|2,0,0]=4 12155 B18R2.31384 Cc1cnc2ccc(cc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100009817055 [0,2,0,0,0,0|2,0,0]=4 12156 B18R2.59533 CC(C)CC(=O)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_100000210624 [0,2,0,0,0,0|2,0,0]=4 12157 B18R2.59533 CC(C)CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100000210624 [0,2,0,0,0,0|1,0,0]=3 12158 B18R2.59533 CC(C)CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100000210624 [0,2,0,0,0,0|1,0,0]=3 12159 B18R2.59533 CC(C)CC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100000210624 [0,2,0,0,0,0|2,0,0]=4 12160 B18R2.59533 CC(C)CC(=O)c1ccc2c(nccc2c1)Cl 1458a_100010201666_100000210624 [0,2,0,0,0,0|2,0,0]=4 12161 B18R2.59533 CC(C)CN(C)c1ccc2c(ccnc2c1)Cl 27a_100000747067_100009996786 [0,2,0,0,0,0|2,0,0]=4 12162 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(=O)ccoc2c1 271570a_100015190218_100010062221 [0,2,0,0,0,0|2,0,0]=4 12163 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(cccc2c1)N 271570a_100015190218_100010090037 [0,2,0,0,0,0|1,0,0]=3 12164 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(cccc2c1)O 271570a_100015190218_100010202202 [0,2,0,0,0,0|1,0,0]=3 12165 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(ccnc2c1)Cl 271570a_100015190218_100009996786 [0,2,0,0,0,0|2,0,0]=4 12166 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(ccnc2c1)N 271570a_100015190218_200009816820 [0,2,0,0,0,0|2,0,0]=4 12167 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(ccnc2c1)O 271570a_100015190218_100000756855 [0,2,0,0,0,0|2,0,0]=4 12168 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(nccc2c1)N 271570a_100015190218_100000732483 [0,2,0,0,0,0|2,0,0]=4 12169 B18R2.59533 CC(C)C[C@H](N)c1ccc2c(nccc2c1)O 271570a_100015190218_100000760485 [0,2,0,0,0,0|2,0,0]=4 12170 B18R2.59533 CC(C)C[C@H](N)c1cnc2c(cccc2c1)Br 271570a_100015190218_100010204298 [0,2,0,0,0,0|2,0,0]=4 12171 B18R2.59533 CC(C)C[C@H](N)c1cnc2c(cccc2c1)Cl 271570a_100015190218_100000759377 [0,2,0,0,0,0|2,0,0]=4 12172 B18R2.59533 CC(C)C[C@H](N)c1cnc2c(cccc2c1)F 271570a_100015190218_100000049890 [0,2,0,0,0,0|2,0,0]=4 12173 B18R2.59533 CC(C)C[C@H](N)c1cnc2c(cccc2c1)N 271570a_100015190218_100000702407 [0,2,0,0,0,0|2,0,0]=4 12174 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Br 11a_100138425928_100000691321 [0,2,0,0,0,0|2,0,0]=4 12175 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Br 1626a_100138425928_100000691321 [0,2,0,0,0,0|2,0,0]=4 12176 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Br 240690a_100138425928_100000691321 [0,2,0,0,0,0|2,0,0]=4 12177 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Br 527a_100138425928_100000691321 [0,2,0,0,0,0|2,0,0]=4 12178 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Cl 11a_100138425928_100010089951 [0,2,0,0,0,0|2,0,0]=4 12179 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Cl 1626a_100138425928_100010089951 [0,2,0,0,0,0|2,0,0]=4 12180 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Cl 240690a_100138425928_100010089951 [0,2,0,0,0,0|2,0,0]=4 12181 B18R2.59533 CC(C)NC(=O)c1ccc2c(cccc2c1)Cl 527a_100138425928_100010089951 [0,2,0,0,0,0|2,0,0]=4 12182 B18R2.59533 CC(O)CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100011218427 [0,2,0,0,0,0|2,0,0]=4 12183 B18R2.59533 CC(O)CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100011218427 [0,2,0,0,0,0|2,0,0]=4 12184 B18R2.59533 Cc1cccc2c1ncc(c2)[C@@H](N)CC(C)C 271570a_100015190218_100009829671 [0,2,0,0,0,0|2,0,0]=4 12185 B18R2.59533 Cc1ccnc2c1ccc(c2)[C@@H](N)CC(C)C 271570a_100015190218_100010132309 [0,2,0,0,0,0|2,0,0]=4 12186 B18R2.63528 CC(C)CC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100000210624 [0,2,0,0,0,0|2,0,0]=4 12187 B18R2.63528 CC(C)CN(C)c1cc(c2cnccc2c1)F 27a_100000747067_100011068762 [0,2,0,0,0,0|2,0,0]=4 12188 B18R2.63528 CC(C)C[C@H](N)c1cc(=O)c2ccccc2[nH]1 271570a_100015190218_100000090176 [0,2,0,0,0,0|2,0,0]=4 12189 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ccccc2c1)N 271570a_100015190218_100010171453 [0,2,0,0,0,0|1,0,0]=3 12190 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ccccc2c1)O 271570a_100015190218_100010089979 [0,2,0,0,0,0|1,0,0]=3 12191 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ccccc2n1)N 271570a_100015190218_100010197925 [0,2,0,0,0,0|2,0,0]=4 12192 B18R2.63528 CC(C)C[C@H](N)c1cc(c2cccnc2c1)N 271570a_100015190218_200010263263 [0,2,0,0,0,0|2,0,0]=4 12193 B18R2.63528 CC(C)C[C@H](N)c1cc(c2cnccc2c1)F 271570a_100015190218_100011068762 [0,2,0,0,0,0|2,0,0]=4 12194 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ncccc2c1)Cl 271570a_100015190218_200010369337 [0,2,0,0,0,0|2,0,0]=4 12195 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ncccc2c1)F 271570a_100015190218_100010234705 [0,2,0,0,0,0|2,0,0]=4 12196 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ncccc2c1)N 271570a_100015190218_100009814519 [0,2,0,0,0,0|2,0,0]=4 12197 B18R2.63528 CC(C)C[C@H](N)c1cc(c2ncccc2c1)O 271570a_100015190218_100010248853 [0,2,0,0,0,0|2,0,0]=4 12198 B18R2.63528 CC(C)C[C@H](N)c1cc2ccccc2[n+](c1)[O-] 271570a_100015190218_200010000521 [0,2,0,0,0,0|2,0,0]=4 12199 B18R2.63528 CC(C)C[C@H](N)c1cc2ccccc2c(n1)N 271570a_100015190218_100009957331 [0,2,0,0,0,0|2,0,0]=4 12200 B18R2.63528 Cc1cc(cc2c1nccc2)[C@@H](N)CC(C)C 271570a_100015190218_100010130319 [0,2,0,0,0,0|2,0,0]=4 12201 B18R2.63528 Cc1cc(nc2c1cccc2)N(C)CC(C)C 27a_100000747067_100000184993 [0,2,0,0,0,0|2,0,0]=4 12202 B18R2.63528 Cc1cc(nc2c1cccc2)[C@@H](N)CC(C)C 271570a_100015190218_100012354972 [0,2,0,0,0,0|2,0,0]=4 12203 B18R2.71896 CC(C)NS(=O)(=O)c1ccc2ccccc2c1 270084a_100138425928_100000210365 [0,2,0,0,0,0|1,1,0]=4 12204 B18R2.71896 CC(C)NS(=O)(=O)c1ccc2ccccc2c1 274078a_100138425928_100000210365 [0,2,0,0,0,0|1,1,0]=4 12205 B18R2.339506 CC(C)CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100000210624 [0,2,0,0,0,0|1,0,0]=3 12206 B18R2.339506 CC(C)CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100000210624 [0,2,0,0,0,0|1,0,0]=3 12207 B18R2.339506 CC(C)CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100000210624 [0,2,0,0,0,0|1,0,0]=3 12208 B18R2.339506 CC(C)CC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100000210624 [0,2,0,0,0,0|2,0,0]=4 12209 B18R2.339506 CC(C)CC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100000210624 [0,2,0,0,0,0|2,0,0]=4 12210 B18R2.339506 CC(C)CC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_100000210624 [0,2,0,0,0,0|2,0,0]=4 12211 B18R2.339506 CC(C)CN(C)c1ccc2cc(ccc2n1)F 27a_100000747067_100011998705 [0,2,0,0,0,0|2,0,0]=4 12212 B18R2.339506 CC(C)CN(C)c1ccc2cc(cnc2c1)Br 27a_100000747067_200015509644 [0,2,0,0,0,0|2,0,0]=4 12213 B18R2.339506 CC(C)C[C@H](N)c1ccc2[nH]c(=O)ccc2c1 271570a_100015190218_100011934725 [0,2,0,0,0,0|2,0,0]=4 12214 B18R2.339506 CC(C)C[C@H](N)c1ccc2c[n+](ccc2c1)C 271570a_100015190218_100015191232 [0,2,0,0,0,0|2,0,0]=4 12215 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ccc2c1)Br 271570a_100015190218_100012344972 [0,2,0,0,0,0|1,0,0]=3 12216 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ccc2c1)F 271570a_100015190218_100009817052 [0,2,0,0,0,0|1,0,0]=3 12217 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ccc2c1)N 271570a_100015190218_100000185457 [0,2,0,0,0,0|1,0,0]=3 12218 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ccc2c1)O 271570a_100015190218_100000185455 [0,2,0,0,0,0|1,0,0]=3 12219 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ccc2n1)F 271570a_100015190218_100011998705 [0,2,0,0,0,0|2,0,0]=4 12220 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ccc2n1)O 271570a_100015190218_100009849208 [0,2,0,0,0,0|2,0,0]=4 12221 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(cnc2c1)Br 271570a_100015190218_200015509644 [0,2,0,0,0,0|2,0,0]=4 12222 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(cnc2c1)F 271570a_100015190218_100010751466 [0,2,0,0,0,0|2,0,0]=4 12223 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(cnc2c1)N 271570a_100015190218_100010142226 [0,2,0,0,0,0|2,0,0]=4 12224 B18R2.339506 CC(C)C[C@H](N)c1ccc2cc(ncc2c1)N 271570a_100015190218_100010232990 [0,2,0,0,0,0|2,0,0]=4 12225 B18R2.339506 CC(C)C[C@H](N)c1ccc2nc(ccc2c1)Cl 271570a_100015190218_200012034268 [0,2,0,0,0,0|2,0,0]=4 12226 B18R2.339506 CC(C)C[C@H](N)c1ccc2nc(ccc2c1)N 271570a_100015190218_100011934619 [0,2,0,0,0,0|2,0,0]=4 12227 B18R2.339506 CC(C)C[C@H](N)c1ccc2oc(=O)ccc2c1 271570a_100015190218_100009999946 [0,2,0,0,0,0|2,0,0]=4 12228 B18R2.339506 CC(C)C[C@H](N)c1cnc2cc(ccc2c1)Cl 271570a_100015190218_100015716233 [0,2,0,0,0,0|2,0,0]=4 12229 B18R2.339506 CC(C)C[C@H](N)c1cnc2cc(ccc2c1)N 271570a_100015190218_200010264087 [0,2,0,0,0,0|2,0,0]=4 12230 B18R2.339506 CC(C)C[C@H](N)c1cnc2cc(ccc2c1)O 271570a_100015190218_200010153753 [0,2,0,0,0,0|2,0,0]=4 12231 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Br 11a_100138425928_100000759775 [0,2,0,0,0,0|2,0,0]=4 12232 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Br 1626a_100138425928_100000759775 [0,2,0,0,0,0|2,0,0]=4 12233 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Br 240690a_100138425928_100000759775 [0,2,0,0,0,0|2,0,0]=4 12234 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Br 527a_100138425928_100000759775 [0,2,0,0,0,0|2,0,0]=4 12235 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Cl 11a_100138425928_200010245464 [0,2,0,0,0,0|2,0,0]=4 12236 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Cl 1626a_100138425928_200010245464 [0,2,0,0,0,0|2,0,0]=4 12237 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Cl 240690a_100138425928_200010245464 [0,2,0,0,0,0|2,0,0]=4 12238 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)Cl 527a_100138425928_200010245464 [0,2,0,0,0,0|2,0,0]=4 12239 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)F 11a_100138425928_200000042716 [0,2,0,0,0,0|2,0,0]=4 12240 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)F 1626a_100138425928_200000042716 [0,2,0,0,0,0|2,0,0]=4 12241 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)F 240690a_100138425928_200000042716 [0,2,0,0,0,0|2,0,0]=4 12242 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)F 527a_100138425928_200000042716 [0,2,0,0,0,0|2,0,0]=4 12243 B18R2.339506 CC(C)NC(=O)c1ccc2cc(ccc2c1)O 240690a_100138425928_100000234869 [0,2,0,0,0,0|2,0,0]=4 12244 B18R2.339506 CC(O)CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100011218427 [0,2,0,0,0,0|2,0,0]=4 12245 B18R2.339506 CC(O)CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100011218427 [0,2,0,0,0,0|2,0,0]=4 12246 B18R2.339506 CC(O)CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100011218427 [0,2,0,0,0,0|2,0,0]=4 12247 B18R2.339506 CN(C)CC(=O)c1ccc2cc(ccc2c1)Br 269982a_100102631434_100012992788 [0,2,0,0,0,0|2,0,0]=4 12248 B18R2.339506 Cc1ccc2cc(ccc2n1)C(=O)CC(C)C 1458a_100000691375_100000210624 [0,2,0,0,0,0|2,0,0]=4 12249 B18R2.339506 Cc1ccc2cc(ccc2n1)[C@@H](N)CC(C)C 271570a_100015190218_100000686635 [0,2,0,0,0,0|2,0,0]=4 12250 B18R2.339506 Cc1ccc2nc(ccc2c1)N(C)CC(C)C 27a_100000747067_100011865911 [0,2,0,0,0,0|2,0,0]=4 12251 B18R2.339506 Cc1ccc2nc(ccc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100011865911 [0,2,0,0,0,0|2,0,0]=4 12252 B18R2.339506 Cc1cnc2cc(ccc2c1)[C@@H](N)CC(C)C 271570a_100015190218_100010751441 [0,2,0,0,0,0|2,0,0]=4 12253 B18R2.483953 CC(C)CC(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_100000210624 [0,2,0,0,0,0|2,0,0]=4 12254 B18R2.483953 CC(C)CC(=O)c1ccc2cncc(c2c1)Br 1458a_100015832970_100000210624 [0,2,0,0,0,0|2,0,0]=4 12255 B18R2.483953 CC(C)CC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_100000210624 [0,2,0,0,0,0|2,0,0]=4 12256 B18R2.483953 CC(C)CN(C)c1ccc2cccc(c2n1)O 27a_100000747067_100010153751 [0,2,0,0,0,0|2,0,0]=4 12257 B18R2.483953 CC(C)C[C@H](N)c1ccc2[nH]ccc(=O)c2c1 271570a_100015190218_100000746092 [0,2,0,0,0,0|2,0,0]=4 12258 B18R2.483953 CC(C)C[C@H](N)c1ccc2cccc(c2c1)N 271570a_100015190218_100010090012 [0,2,0,0,0,0|1,0,0]=3 12259 B18R2.483953 CC(C)C[C@H](N)c1ccc2cccc(c2c1)O 271570a_100015190218_100010089991 [0,2,0,0,0,0|1,0,0]=3 12260 B18R2.483953 CC(C)C[C@H](N)c1ccc2cccc(c2n1)F 271570a_100015190218_100012017632 [0,2,0,0,0,0|2,0,0]=4 12261 B18R2.483953 CC(C)C[C@H](N)c1ccc2cccc(c2n1)O 271570a_100015190218_100010153751 [0,2,0,0,0,0|2,0,0]=4 12262 B18R2.483953 CC(C)C[C@H](N)c1ccc2ccnc(c2c1)N 271570a_100015190218_100012352255 [0,2,0,0,0,0|2,0,0]=4 12263 B18R2.483953 CC(C)C[C@H](N)c1ccc2ccnc(c2c1)O 271570a_100015190218_100000010956 [0,2,0,0,0,0|2,0,0]=4 12264 B18R2.483953 CC(C)C[C@H](N)c1ccc2cncc(c2c1)O 271570a_100015190218_100010136424 [0,2,0,0,0,0|2,0,0]=4 12265 B18R2.483953 CC(C)C[C@H](N)c1ccc2nccc(c2c1)Cl 271570a_100015190218_100011310491 [0,2,0,0,0,0|2,0,0]=4 12266 B18R2.483953 CC(C)C[C@H](N)c1ccc2nccc(c2c1)N 271570a_100015190218_100011620571 [0,2,0,0,0,0|2,0,0]=4 12267 B18R2.483953 CC(C)C[C@H](N)c1ccc2occc(=O)c2c1 271570a_100015190218_100009813387 [0,2,0,0,0,0|2,0,0]=4 12268 B18R2.483953 CC(C)C[C@H](N)c1cnc2cccc(c2c1)N 271570a_100015190218_100010264086 [0,2,0,0,0,0|2,0,0]=4 12269 B18R2.483953 CC(C)C[C@H](N)c1cnc2cccc(c2c1)O 271570a_100015190218_200010153752 [0,2,0,0,0,0|2,0,0]=4 12270 B18R2.483953 Cc1cccc2c1cc(cc2)[C@@H](N)CC(C)C 271570a_100015190218_100010089936 [0,2,0,0,0,0|1,0,0]=3 12271 B18R2.483953 Cc1cccc2c1nc(cc2)N(C)CC(C)C 27a_100000747067_100012002297 [0,2,0,0,0,0|2,0,0]=4 12272 B18R2.483953 Cc1cccc2c1nc(cc2)[C@@H](N)CC(C)C 271570a_100015190218_100012002297 [0,2,0,0,0,0|2,0,0]=4 12273 B18R2.483953 Cc1ccnc2c1cc(cc2)[C@@H](N)CC(C)C 271570a_100015190218_100009817033 [0,2,0,0,0,0|2,0,0]=4 12274 B18R2.483953 Cc1nccc2c1cc(cc2)[C@@H](N)CC(C)C 271570a_100015190218_200010739692 [0,2,0,0,0,0|2,0,0]=4 12275 B18R2.17886 C=C(C)COc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000748629 [0,2,0,0,0,0|0,0,2]=4 12276 B18R2.17886 C=C(C)COc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000748629 [0,2,0,0,0,0|0,0,2]=4 12277 B18R2.17886 C=C(C)COc1ccc2ccc(cc2c1)OC 34a_100000179802_100000748629 [0,2,0,0,0,0|0,0,2]=4 12278 B18R2.17886 C=C(C)COc1ccc2ccc(cc2c1)OC 7a_100000179802_100000748629 [0,2,0,0,0,0|0,0,2]=4 12279 B18R2.17886 CC(C)C=Cc1ccc2ccc(cc2c1)C=O 271570a_100016257149_100010200085 [0,2,0,0,0,0|1,0,1]=4 12280 B18R2.17886 CC(C)COc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000210624 [0,2,0,0,0,0|0,0,0]=2 12281 B18R2.17886 CC(C)COc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000210760 [0,2,0,0,0,0|0,0,0]=2 12282 B18R2.17886 CC(C)CSc1ccc2ccc(cc2c1)C=O 62a_100000210624_100010200085 [0,2,0,0,0,0|0,1,0]=3 12283 B18R2.17886 CC(C)CSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100000210760 [0,2,0,0,0,0|0,1,0]=3 12284 B18R2.17886 CC(C)CSc1ccc2ncc(cc2c1)C#N 62a_100000210624_100010885934 [0,2,0,0,0,0|1,1,0]=4 12285 B18R2.17886 CC(C)CSc1ccc2ncc(cc2c1)C=O 62a_100000210624_100010174008 [0,2,0,0,0,0|1,1,0]=4 12286 B18R2.17886 CC(C)CSc1ccc2ncc(cc2c1)C=O 62a_100010174008_100000210760 [0,2,0,0,0,0|1,1,0]=4 12287 B18R2.17886 CC(O)COc1ccc2ccc(cc2c1)C#N 34a_100000090773_100011218427 [0,2,0,0,0,0|1,0,0]=3 12288 B18R2.17886 CC(O)COc1ccc2ccc(cc2c1)C#N 7a_100000090773_100011218427 [0,2,0,0,0,0|1,0,0]=3 12289 B18R2.17886 CC(O)CSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100011218427 [0,2,0,0,0,0|1,1,0]=4 12290 B18R2.17886 CC(O)CSc1ccc2ccc(cc2c1)C=O 62a_100011218427_100010200085 [0,2,0,0,0,0|1,1,0]=4 12291 B18R2.17886 COc1ccc2ccc(cc2c1)C=CC(C)C 271570a_100016257149_100010090027 [0,2,0,0,0,0|1,0,1]=4 12292 B18R2.17886 COc1ccc2ccc(cc2c1)COC(C)C 34a_100009888446_100000210206 [0,2,0,0,0,0|2,0,0]=4 12293 B18R2.17886 COc1ccc2ccc(cc2c1)COC(C)C 7a_100009888446_100000210206 [0,2,0,0,0,0|2,0,0]=4 12294 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)C 34a_100000179802_100000210624 [0,2,0,0,0,0|0,0,0]=2 12295 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)C 7a_100000179802_100000210760 [0,2,0,0,0,0|0,0,0]=2 12296 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)O 34a_100000179802_100011218427 [0,2,0,0,0,0|1,0,0]=3 12297 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(C)O 7a_100000179802_100011218427 [0,2,0,0,0,0|1,0,0]=3 12298 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(F)F 34a_100000179802_100011934356 [0,2,0,0,0,0|2,0,0]=4 12299 B18R2.17886 COc1ccc2ccc(cc2c1)OCC(F)F 7a_100000179802_100011934356 [0,2,0,0,0,0|2,0,0]=4 12300 B18R2.17886 COc1ccc2ccc(cc2c1)OC[C@@H](C)O 34a_100000179802_100009817552 [0,2,0,0,0,0|1,0,0]=3 12301 B18R2.17886 COc1ccc2ccc(cc2c1)OC[C@@H](C)O 7a_100000179802_100009817552 [0,2,0,0,0,0|1,0,0]=3 12302 B18R2.17886 COc1ccc2ccc(cc2c1)SCC(C)C 62a_100000210624_100010090027 [0,2,0,0,0,0|0,1,0]=3 12303 B18R2.17886 COc1ccc2ccc(cc2c1)SCC(C)O 62a_100011218427_100010090027 [0,2,0,0,0,0|1,1,0]=4 12304 B18R2.17886 COc1ccc2ccc(cc2c1)SC[C@@H](C)O 62a_100009817552_100010090027 [0,2,0,0,0,0|1,1,0]=4 12305 B18R2.17886 COc1ccc2ccc(cc2n1)SCC(C)C 62a_100000210624_100010248626 [0,2,0,0,0,0|1,1,0]=4 12306 B18R2.17886 COc1ccc2ccc(cc2n1)SCC(C)C 62a_100010248626_100000210760 [0,2,0,0,0,0|1,1,0]=4 12307 B18R2.17886 COc1ccc2ccc(nc2c1)NCC(C)C 27a_100000210953_100009877240 [0,2,0,0,0,0|2,0,0]=4 12308 B18R2.17886 COc1ccc2ccc(nc2c1)SCC(C)C 62a_100000210624_100009877240 [0,2,0,0,0,0|1,1,0]=4 12309 B18R2.17886 COc1ccc2ncc(cc2c1)SCC(C)C 62a_100000210624_100000700671 [0,2,0,0,0,0|1,1,0]=4 12310 B18R2.17886 C[C@@H](O)COc1ccc2ccc(cc2c1)C#N 34a_100000090773_100009817552 [0,2,0,0,0,0|1,0,0]=3 12311 B18R2.17886 C[C@@H](O)COc1ccc2ccc(cc2c1)C#N 7a_100000090773_100009817552 [0,2,0,0,0,0|1,0,0]=3 12312 B18R2.17886 C[C@@H](O)CSc1ccc2ccc(cc2c1)C=O 62a_100009817552_100010200085 [0,2,0,0,0,0|1,1,0]=4 12313 B18R2.17886 C[C@@H](O)CSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100009817552 [0,2,0,0,0,0|1,1,0]=4 12314 B18R2.17886 N#Cc1ccc2ccc(cc2c1)OCC(F)F 34a_100000090773_100011934356 [0,2,0,0,0,0|2,0,0]=4 12315 B18R2.17886 N#Cc1ccc2ccc(cc2c1)OCC(F)F 7a_100000090773_100011934356 [0,2,0,0,0,0|2,0,0]=4 12316 B18R2.31378 C=C(C)COc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000748629 [0,2,0,0,0,0|0,0,2]=4 12317 B18R2.31378 C=C(C)COc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000748629 [0,2,0,0,0,0|0,0,2]=4 12318 B18R2.31378 CC(C)COc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000210624 [0,2,0,0,0,0|0,0,0]=2 12319 B18R2.31378 CC(C)COc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000210760 [0,2,0,0,0,0|0,0,0]=2 12320 B18R2.31378 CC(C)COc1ccc2ncn(c(=O)c2c1)C 7a_200000716950_100000210760 [0,2,0,0,0,0|2,0,0]=4 12321 B18R2.31378 CC(C)CSc1ccc2ccc(=O)n(c2c1)C 62a_100000210624_200010167779 [0,2,0,0,0,0|1,1,0]=4 12322 B18R2.31378 CC(C)CSc1ccc2ccc(=O)n(c2c1)C 62a_200010167779_100000210760 [0,2,0,0,0,0|1,1,0]=4 12323 B18R2.31378 CC(C)CSc1ccc2ccn(c(=O)c2c1)C 62a_100000210624_100010371002 [0,2,0,0,0,0|1,1,0]=4 12324 B18R2.31378 CC(C)CSc1ccc2ccn(c(=O)c2c1)C 62a_100010371002_100000210760 [0,2,0,0,0,0|1,1,0]=4 12325 B18R2.31378 CC(O)COc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100011218427 [0,2,0,0,0,0|1,0,0]=3 12326 B18R2.31378 CC(O)COc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100011218427 [0,2,0,0,0,0|1,0,0]=3 12327 B18R2.31378 C[C@@H](O)COc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100009817552 [0,2,0,0,0,0|1,0,0]=3 12328 B18R2.31378 C[C@@H](O)COc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100009817552 [0,2,0,0,0,0|1,0,0]=3 12329 B18R2.31378 Cc1c(ccc2c1nc(cc2)OCC(C)C)Cl 34a_100000697521_100000210624 [0,2,0,0,0,0|1,0,0]=3 12330 B18R2.31378 Cc1c(ccc2c1nc(cc2)OCC(C)O)Cl 34a_100000697521_100011218427 [0,2,0,0,0,0|2,0,0]=4 12331 B18R2.31378 Cc1c(ccc2c1nc(cc2)OC[C@@H](C)O)Cl 34a_100000697521_100009817552 [0,2,0,0,0,0|2,0,0]=4 12332 B18R2.31378 Fc1ccc2ccc(cc2c1F)OCC(F)F 34a_100000100812_100011934356 [0,2,0,0,0,0|2,0,0]=4 12333 B18R2.31378 Fc1ccc2ccc(cc2c1F)OCC(F)F 7a_100000100812_100011934356 [0,2,0,0,0,0|2,0,0]=4 12334 B18R2.31513 CC(C)CSc1c[nH]c2ccc(cc2c1=O)Br 62a_100012348040_100000210760 [0,2,0,0,0,0|1,1,0]=4 12335 B18R2.31513 CC(C)CSc1coc2ccc(cc2c1=O)Cl 62a_100000210624_200010204847 [0,2,0,0,0,0|1,1,0]=4 12336 B18R2.31513 CC(C)CSc1coc2ccc(cc2c1=O)F 62a_100000210624_200009813772 [0,2,0,0,0,0|1,1,0]=4 12337 B18R2.31513 Cc1ccc2occ(c(=O)c2c1)SCC(C)C 62a_100000210624_200010005421 [0,2,0,0,0,0|1,1,0]=4 12338 B18R2.59004 Cc1cc2cc(ccc2nc1N)SCC(C)C 62a_100000210624_100011830096 [0,2,0,0,0,0|1,1,0]=4 12339 B18R2.59004 Cc1cc2cc(ccc2nc1N)SCC(C)C 62a_100011830096_100000210760 [0,2,0,0,0,0|1,1,0]=4 12340 B18R2.528789 CC(C)CSc1ccc2c(cc(=O)oc2c1)O 62a_100000210624_100010062223 [0,2,0,0,0,0|1,1,0]=4 12341 B18R2.528789 CC(C)CSc1cnc2c(cc(cc2c1)N)F 62a_100000210624_100010780968 [0,2,0,0,0,0|1,1,0]=4 12342 B18R2.528789 CC(C)CSc1cnc2c(cc(cc2c1)N)F 62a_100010780968_100000210760 [0,2,0,0,0,0|1,1,0]=4 12343 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)NCC(C)C 7a_100000010859_100000210760 [0,2,0,0,0,0|2,0,0]=4 12344 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)OCC(C)C 34a_100000181958_100000210624 [0,2,0,0,0,0|1,0,0]=3 12345 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)OCC(C)C 7a_100000181958_100000210760 [0,2,0,0,0,0|1,0,0]=3 12346 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)OCC(C)O 34a_100000181958_100011218427 [0,2,0,0,0,0|2,0,0]=4 12347 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)OCC(C)O 7a_100000181958_100011218427 [0,2,0,0,0,0|2,0,0]=4 12348 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)OC[C@@H](C)O 34a_100000181958_100009817552 [0,2,0,0,0,0|2,0,0]=4 12349 B18R2.528789 Cc1cc(=O)oc2c1ccc(c2)OC[C@@H](C)O 7a_100000181958_100009817552 [0,2,0,0,0,0|2,0,0]=4 12350 B18R2.528789 Cc1cc(nc2c1ccc(c2)NCC(C)C)Cl 34a_100000103534_100000210624 [0,2,0,0,0,0|2,0,0]=4 12351 B18R2.528789 Cc1cc2cc(ccc2c(=O)[nH]1)SCC(C)C 62a_100000210624_100010883700 [0,2,0,0,0,0|1,1,0]=4 12352 B18R2.1262759 CC(C)CNc1cc(c2ncc(cc2c1)Br)Br 34a_100010069473_100000210624 [0,2,0,0,0,0|2,0,0]=4 12353 B18R2.1262759 CC(C)CNc1cc(c2ncc(cc2c1)Br)Br 7a_100010069473_100000210760 [0,2,0,0,0,0|2,0,0]=4 12354 B18R2.1262759 CC(C)CNc1cc(c2ncc(cc2c1)Br)F 34a_100010780968_100000210624 [0,2,0,0,0,0|2,0,0]=4 12355 B18R2.1262759 CC(C)CNc1cc(c2ncc(cc2c1)Br)F 7a_100010780968_100000210760 [0,2,0,0,0,0|2,0,0]=4 12356 B18R2.1262759 Cc1cc(cc2c1ccc(=O)o2)OCC(C)C 34a_100000029242_100000210624 [0,2,0,0,0,0|1,0,0]=3 12357 B18R2.1262759 Cc1cc(cc2c1ccc(=O)o2)OCC(C)C 7a_100000029242_100000210760 [0,2,0,0,0,0|1,0,0]=3 12358 B18R2.1262759 Cc1cc(cc2c1ccc(=O)o2)OCC(C)O 34a_100000029242_100011218427 [0,2,0,0,0,0|2,0,0]=4 12359 B18R2.1262759 Cc1cc(cc2c1ccc(=O)o2)OCC(C)O 7a_100000029242_100011218427 [0,2,0,0,0,0|2,0,0]=4 12360 B18R2.1262759 Cc1cc(cc2c1ccc(=O)o2)OC[C@@H](C)O 34a_100000029242_100009817552 [0,2,0,0,0,0|2,0,0]=4 12361 B18R2.1262759 Cc1cc(cc2c1ccc(=O)o2)OC[C@@H](C)O 7a_100000029242_100009817552 [0,2,0,0,0,0|2,0,0]=4 12362 B18R2.1262759 Cc1cc(nc2c1ccc(c2)N)SCC(C)C 62a_100000210624_100000103534 [0,2,0,0,0,0|1,1,0]=4 12363 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000748629 [0,2,0,0,0,0|0,0,2]=4 12364 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000748629 [0,2,0,0,0,0|0,0,2]=4 12365 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)CC 34a_200000085364_100000748629 [0,2,0,0,0,0|0,0,2]=4 12366 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)CC 7a_200000085364_100000748629 [0,2,0,0,0,0|0,0,2]=4 12367 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)CN 34a_200000083168_100000748629 [0,2,0,0,0,0|0,0,2]=4 12368 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)OC 34a_100000039947_100000748629 [0,2,0,0,0,0|0,0,2]=4 12369 B18R2.17930 C=C(C)COc1ccc2cc(ccc2c1)OC 7a_100000039947_100000748629 [0,2,0,0,0,0|0,0,2]=4 12370 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(=C)C 34a_200010676335_100000748629 [0,2,0,0,0,0|0,0,2]=4 12371 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(=C)C 7a_200010676335_100000748629 [0,2,0,0,0,0|0,0,2]=4 12372 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(C)C 271570a_100011290941_200000170443 [0,2,0,0,0,0|0,0,0]=2 12373 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(C)C 34a_200010676335_100000210624 [0,2,0,0,0,0|0,0,0]=2 12374 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(C)C 7a_200010676335_100000210760 [0,2,0,0,0,0|0,0,0]=2 12375 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(C)O 34a_200010676335_100011218427 [0,2,0,0,0,0|1,0,0]=3 12376 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(C)O 7a_200010676335_100011218427 [0,2,0,0,0,0|1,0,0]=3 12377 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(F)F 34a_200010676335_100011934356 [0,2,0,0,0,0|2,0,0]=4 12378 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OCC(F)F 7a_200010676335_100011934356 [0,2,0,0,0,0|2,0,0]=4 12379 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_200010676335_100009817552 [0,2,0,0,0,0|1,0,0]=3 12380 B18R2.17930 C=Cc1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_200010676335_100009817552 [0,2,0,0,0,0|1,0,0]=3 12381 B18R2.17930 CC(C)C=Cc1ccc2cc(ccc2c1)C=O 271570a_100016257149_100012356508 [0,2,0,0,0,0|1,0,1]=4 12382 B18R2.17930 CC(C)C=Cc1ccc2cc(ccc2c1)CO 271570a_100016257149_100012356509 [0,2,0,0,0,0|1,0,1]=4 12383 B18R2.17930 CC(C)CNc1ccc2cc(ccc2n1)C#N 27a_100000210953_100000091635 [0,2,0,0,0,0|2,0,0]=4 12384 B18R2.17930 CC(C)CNc1ccc2cc(cnc2c1)C#N 27a_100000210953_100010751502 [0,2,0,0,0,0|2,0,0]=4 12385 B18R2.17930 CC(C)COc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000210624 [0,2,0,0,0,0|0,0,0]=2 12386 B18R2.17930 CC(C)COc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000210760 [0,2,0,0,0,0|0,0,0]=2 12387 B18R2.17930 CC(C)COc1ccc2cc(ccc2c1)CN 34a_200000083168_100000210624 [0,2,0,0,0,0|0,0,0]=2 12388 B18R2.17930 CC(C)COc1ccc2cc(ccc2c1)S[13CH3] 62a_200000170443_200025704644 [0,2,0,0,0,0|0,0,0]=2 12389 B18R2.17930 CC(C)COc1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_200000170443 [0,2,0,0,0,0|0,0,0]=2 12390 B18R2.17930 CC(C)CSc1ccc2cc(ccc2c1)C=O 62a_100000210624_100012356508 [0,2,0,0,0,0|0,1,0]=3 12391 B18R2.17930 CC(C)CSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100000210760 [0,2,0,0,0,0|0,1,0]=3 12392 B18R2.17930 CC(C)CSc1ccc2cc(ccc2c1)CO 62a_100000210624_100012356509 [0,2,0,0,0,0|0,1,0]=3 12393 B18R2.17930 CC(C)CSc1ccc2cc(ccc2c1)CO 62a_100012356509_100000210760 [0,2,0,0,0,0|0,1,0]=3 12394 B18R2.17930 CC(C)CSc1ccc2cc(ccc2n1)C#N 62a_100000210624_100000091635 [0,2,0,0,0,0|1,1,0]=4 12395 B18R2.17930 CC(C)CSc1ccc2cc(ccc2n1)C=O 62a_100000210624_100000087602 [0,2,0,0,0,0|1,1,0]=4 12396 B18R2.17930 CC(C)CSc1ccc2cc(cnc2c1)C#N 62a_100000210624_100010751502 [0,2,0,0,0,0|1,1,0]=4 12397 B18R2.17930 CC(C)CSc1ccc2nc(ccc2c1)C#N 62a_100000210624_200012353941 [0,2,0,0,0,0|1,1,0]=4 12398 B18R2.17930 CC(C)CSc1cnc2cc(ccc2c1)C=O 62a_100000210624_100010114372 [0,2,0,0,0,0|1,1,0]=4 12399 B18R2.17930 CC(C)CSc1cnc2cc(ccc2c1)C=O 62a_100010114372_100000210760 [0,2,0,0,0,0|1,1,0]=4 12400 B18R2.17930 CC(O)COc1ccc2cc(ccc2c1)C#N 34a_100000035450_100011218427 [0,2,0,0,0,0|1,0,0]=3 12401 B18R2.17930 CC(O)COc1ccc2cc(ccc2c1)C#N 7a_100000035450_100011218427 [0,2,0,0,0,0|1,0,0]=3 12402 B18R2.17930 CC(O)COc1ccc2cc(ccc2c1)CN 34a_200000083168_100011218427 [0,2,0,0,0,0|1,0,0]=3 12403 B18R2.17930 CC(O)CSc1ccc2cc(ccc2c1)C=O 62a_100011218427_100012356508 [0,2,0,0,0,0|1,1,0]=4 12404 B18R2.17930 CC(O)CSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100011218427 [0,2,0,0,0,0|1,1,0]=4 12405 B18R2.17930 CC(O)CSc1ccc2cc(ccc2c1)CO 62a_100011218427_100012356509 [0,2,0,0,0,0|1,1,0]=4 12406 B18R2.17930 CC(O)CSc1ccc2cc(ccc2c1)CO 62a_100012356509_100011218427 [0,2,0,0,0,0|1,1,0]=4 12407 B18R2.17930 CCc1ccc2cc(ccc2c1)OCC(C)C 34a_200000085364_100000210624 [0,2,0,0,0,0|0,0,0]=2 12408 B18R2.17930 CCc1ccc2cc(ccc2c1)OCC(C)C 7a_200000085364_100000210760 [0,2,0,0,0,0|0,0,0]=2 12409 B18R2.17930 CCc1ccc2cc(ccc2c1)OCC(C)O 34a_200000085364_100011218427 [0,2,0,0,0,0|1,0,0]=3 12410 B18R2.17930 CCc1ccc2cc(ccc2c1)OCC(C)O 7a_200000085364_100011218427 [0,2,0,0,0,0|1,0,0]=3 12411 B18R2.17930 CCc1ccc2cc(ccc2c1)OCC(F)F 34a_200000085364_100011934356 [0,2,0,0,0,0|2,0,0]=4 12412 B18R2.17930 CCc1ccc2cc(ccc2c1)OCC(F)F 7a_200000085364_100011934356 [0,2,0,0,0,0|2,0,0]=4 12413 B18R2.17930 CCc1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_200000085364_100009817552 [0,2,0,0,0,0|1,0,0]=3 12414 B18R2.17930 CCc1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_200000085364_100009817552 [0,2,0,0,0,0|1,0,0]=3 12415 B18R2.17930 CNc1ccc2cc(ccc2c1)OCC(C)C 27a_100102657272_200000170443 [0,2,0,0,0,0|0,0,0]=2 12416 B18R2.17930 CNc1ccc2cc(ccc2n1)SCC(C)C 62a_200012034361_100000210760 [0,2,0,0,0,0|1,1,0]=4 12417 B18R2.17930 COc1ccc2cc(ccc2c1)C=CC(C)C 271570a_100016257149_100000170439 [0,2,0,0,0,0|1,0,1]=4 12418 B18R2.17930 COc1ccc2cc(ccc2c1)CNC(C)C 207a_100138425928_100000211743 [0,2,0,0,0,0|2,0,0]=4 12419 B18R2.17930 COc1ccc2cc(ccc2c1)COC(C)C 34a_100000246284_100000210206 [0,2,0,0,0,0|2,0,0]=4 12420 B18R2.17930 COc1ccc2cc(ccc2c1)COC(C)C 7a_100000246284_100000210206 [0,2,0,0,0,0|2,0,0]=4 12421 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(C)C 34a_100000039947_100000210624 [0,2,0,0,0,0|0,0,0]=2 12422 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(C)C 7a_100000039947_100000210760 [0,2,0,0,0,0|0,0,0]=2 12423 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(C)O 34a_100000039947_100011218427 [0,2,0,0,0,0|1,0,0]=3 12424 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(C)O 7a_100000039947_100011218427 [0,2,0,0,0,0|1,0,0]=3 12425 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(F)F 34a_100000039947_100011934356 [0,2,0,0,0,0|2,0,0]=4 12426 B18R2.17930 COc1ccc2cc(ccc2c1)OCC(F)F 7a_100000039947_100011934356 [0,2,0,0,0,0|2,0,0]=4 12427 B18R2.17930 COc1ccc2cc(ccc2c1)OC[C@@H](C)O 34a_100000039947_100009817552 [0,2,0,0,0,0|1,0,0]=3 12428 B18R2.17930 COc1ccc2cc(ccc2c1)OC[C@@H](C)O 7a_100000039947_100009817552 [0,2,0,0,0,0|1,0,0]=3 12429 B18R2.17930 COc1ccc2cc(ccc2c1)SCC(C)C 62a_100000210624_100000170439 [0,2,0,0,0,0|0,1,0]=3 12430 B18R2.17930 COc1ccc2cc(ccc2c1)SCC(C)O 62a_100011218427_100000170439 [0,2,0,0,0,0|1,1,0]=4 12431 B18R2.17930 COc1ccc2cc(ccc2c1)SC[C@@H](C)O 62a_100009817552_100000170439 [0,2,0,0,0,0|1,1,0]=4 12432 B18R2.17930 COc1ccc2cc(ccc2n1)SCC(C)C 62a_100000210624_100009817092 [0,2,0,0,0,0|1,1,0]=4 12433 B18R2.17930 COc1ccc2cc(ccc2n1)SCC(C)C 62a_100009817092_100000210760 [0,2,0,0,0,0|1,1,0]=4 12434 B18R2.17930 COc1ccc2nc(ccc2c1)NCC(C)C 27a_100000210953_100000743015 [0,2,0,0,0,0|2,0,0]=4 12435 B18R2.17930 COc1ccc2nc(ccc2c1)SCC(C)C 62a_100000210624_100000743015 [0,2,0,0,0,0|1,1,0]=4 12436 B18R2.17930 CSc1ccc2cc(ccc2c1)OCC(C)C 62a_200000170443_200000210301 [0,2,0,0,0,0|0,0,0]=2 12437 B18R2.17930 CSc1ccc2cc(ccc2c1)OCC(C)C 62a_200000210301_200000170443 [0,2,0,0,0,0|0,0,0]=2 12438 B18R2.17930 C[C@@H](O)COc1ccc2cc(ccc2c1)C#N 34a_100000035450_100009817552 [0,2,0,0,0,0|1,0,0]=3 12439 B18R2.17930 C[C@@H](O)COc1ccc2cc(ccc2c1)C#N 7a_100000035450_100009817552 [0,2,0,0,0,0|1,0,0]=3 12440 B18R2.17930 C[C@@H](O)COc1ccc2cc(ccc2c1)CN 34a_200000083168_100009817552 [0,2,0,0,0,0|1,0,0]=3 12441 B18R2.17930 C[C@@H](O)CSc1ccc2cc(ccc2c1)C=O 62a_100009817552_100012356508 [0,2,0,0,0,0|1,1,0]=4 12442 B18R2.17930 C[C@@H](O)CSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100009817552 [0,2,0,0,0,0|1,1,0]=4 12443 B18R2.17930 C[C@@H](O)CSc1ccc2cc(ccc2c1)CO 62a_100009817552_100012356509 [0,2,0,0,0,0|1,1,0]=4 12444 B18R2.17930 C[C@@H](O)CSc1ccc2cc(ccc2c1)CO 62a_100012356509_100009817552 [0,2,0,0,0,0|1,1,0]=4 12445 B18R2.17930 N#Cc1ccc2cc(ccc2c1)OCC(F)F 34a_100000035450_100011934356 [0,2,0,0,0,0|2,0,0]=4 12446 B18R2.17930 N#Cc1ccc2cc(ccc2c1)OCC(F)F 7a_100000035450_100011934356 [0,2,0,0,0,0|2,0,0]=4 12447 B18R2.17930 NCc1ccc2cc(ccc2c1)OCC(F)F 34a_200000083168_100011934356 [0,2,0,0,0,0|2,0,0]=4 12448 B18R2.339505 CC(C)C=Cc1ccc2c(c(ccc2c1)O)F 271570a_100016257149_100010730138 [0,2,0,0,0,0|1,0,1]=4 12449 B18R2.339505 CC(C)C=Cc1ccc2c(c1)C=CC(=O)C2=O 271570a_100016257149_100009812793 [0,2,0,0,0,0|1,0,1]=4 12450 B18R2.339505 CC(C)CSc1ccc2c(=O)n(ccc2c1)C 62a_100000210624_100010246303 [0,2,0,0,0,0|1,1,0]=4 12451 B18R2.339505 CC(C)CSc1ccc2c(=O)n(ccc2c1)C 62a_100010246303_100000210760 [0,2,0,0,0,0|1,1,0]=4 12452 B18R2.339505 CC(C)CSc1ccc2c(c(ccc2c1)O)F 62a_100000210624_100010730138 [0,2,0,0,0,0|0,1,0]=3 12453 B18R2.339505 CC(C)CSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100000210760 [0,2,0,0,0,0|0,1,0]=3 12454 B18R2.339505 CC(C)CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100000210624_100009812793 [0,2,0,0,0,0|0,1,0]=3 12455 B18R2.339505 CC(C)CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100000210760 [0,2,0,0,0,0|0,1,0]=3 12456 B18R2.339505 CC(O)CSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100011218427 [0,2,0,0,0,0|1,1,0]=4 12457 B18R2.339505 CC(O)CSc1ccc2c(c(ccc2c1)O)F 62a_100011218427_100010730138 [0,2,0,0,0,0|1,1,0]=4 12458 B18R2.339505 CC(O)CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100011218427 [0,2,0,0,0,0|1,1,0]=4 12459 B18R2.339505 CC(O)CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100011218427_100009812793 [0,2,0,0,0,0|1,1,0]=4 12460 B18R2.339505 C[C@@H](O)CSc1ccc2c(c(ccc2c1)O)F 62a_100009817552_100010730138 [0,2,0,0,0,0|1,1,0]=4 12461 B18R2.339505 C[C@@H](O)CSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100009817552 [0,2,0,0,0,0|1,1,0]=4 12462 B18R2.339505 C[C@@H](O)CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100009817552 [0,2,0,0,0,0|1,1,0]=4 12463 B18R2.339505 C[C@@H](O)CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009817552_100009812793 [0,2,0,0,0,0|1,1,0]=4 12464 B18R2.342245 CC(C)C=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016257149_100010201084 [0,2,0,0,0,0|1,0,1]=4 12465 B18R2.342245 CC(C)COc1cc(=O)n2cc(ccc2n1)Br 7a_100016101194_100000210760 [0,2,0,0,0,0|2,0,0]=4 12466 B18R2.342245 CC(C)CSc1cc(c2[nH]c(=O)ccc2c1)F 62a_100000210624_100012034177 [0,2,0,0,0,0|1,1,0]=4 12467 B18R2.342245 CC(C)CSc1cc(c2cc(ccc2c1)O)F 62a_100000210624_100010201084 [0,2,0,0,0,0|0,1,0]=3 12468 B18R2.342245 CC(C)CSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100000210760 [0,2,0,0,0,0|0,1,0]=3 12469 B18R2.342245 CC(O)CSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100011218427 [0,2,0,0,0,0|1,1,0]=4 12470 B18R2.342245 CC(O)CSc1cc(c2cc(ccc2c1)O)F 62a_100011218427_100010201084 [0,2,0,0,0,0|1,1,0]=4 12471 B18R2.342245 C[C@@H](O)CSc1cc(c2cc(ccc2c1)O)F 62a_100009817552_100010201084 [0,2,0,0,0,0|1,1,0]=4 12472 B18R2.342245 C[C@@H](O)CSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100009817552 [0,2,0,0,0,0|1,1,0]=4 12473 B18R2.342245 Cc1cc(nc2c1cc(cc2)F)NCC(C)C 27a_100000210953_200000079853 [0,2,0,0,0,0|2,0,0]=4 12474 B18R2.342245 Cc1cc(nc2c1cc(cc2)F)SCC(C)C 62a_100000210624_200000079853 [0,2,0,0,0,0|1,1,0]=4 12475 B18R2.342245 Cc1cc(nc2c1cc(cc2)F)SCC(C)C 62a_200000079853_100000210760 [0,2,0,0,0,0|1,1,0]=4 12476 B18R2.528890 C=C(C)COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000748629 [0,2,0,0,0,0|0,0,2]=4 12477 B18R2.528890 C=C(C)COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000748629 [0,2,0,0,0,0|0,0,2]=4 12478 B18R2.528890 CC(C)COc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_100000210760 [0,2,0,0,0,0|2,0,0]=4 12479 B18R2.528890 CC(C)COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000210624 [0,2,0,0,0,0|0,0,0]=2 12480 B18R2.528890 CC(C)COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000210760 [0,2,0,0,0,0|0,0,0]=2 12481 B18R2.528890 CC(C)CSc1ccc2[nH]c(=O)cc(c2c1)O 62a_100000210624_100000695641 [0,2,0,0,0,0|1,1,0]=4 12482 B18R2.528890 CC(O)COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100011218427 [0,2,0,0,0,0|1,0,0]=3 12483 B18R2.528890 CC(O)COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100011218427 [0,2,0,0,0,0|1,0,0]=3 12484 B18R2.528890 C[C@@H](O)COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100009817552 [0,2,0,0,0,0|1,0,0]=3 12485 B18R2.528890 C[C@@H](O)COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100009817552 [0,2,0,0,0,0|1,0,0]=3 12486 B18R2.528890 Cc1cc(=O)[nH]c2c1cc(cc2)SCC(C)C 62a_100000210624_100009820897 [0,2,0,0,0,0|1,1,0]=4 12487 B18R2.528890 Cc1cc(=O)c2cc(ccc2[nH]1)SCC(C)C 62a_100000210624_100011333642 [0,2,0,0,0,0|1,1,0]=4 12488 B18R2.528890 Cc1cc(=O)oc2c1cc(cc2)OCC(C)C 34a_100000034621_100000210624 [0,2,0,0,0,0|1,0,0]=3 12489 B18R2.528890 Cc1cc(=O)oc2c1cc(cc2)OCC(C)C 7a_100000034621_100000210760 [0,2,0,0,0,0|1,0,0]=3 12490 B18R2.528890 Cc1cc(=O)oc2c1cc(cc2)OCC(C)O 34a_100000034621_100011218427 [0,2,0,0,0,0|2,0,0]=4 12491 B18R2.528890 Cc1cc(=O)oc2c1cc(cc2)OCC(C)O 7a_100000034621_100011218427 [0,2,0,0,0,0|2,0,0]=4 12492 B18R2.528890 Cc1cc(=O)oc2c1cc(cc2)OC[C@@H](C)O 34a_100000034621_100009817552 [0,2,0,0,0,0|2,0,0]=4 12493 B18R2.528890 Cc1cc(=O)oc2c1cc(cc2)OC[C@@H](C)O 7a_100000034621_100009817552 [0,2,0,0,0,0|2,0,0]=4 12494 B18R2.528890 Cc1cc(c2cc(ccc2n1)SCC(C)C)N 62a_100000238323_100000210760 [0,2,0,0,0,0|1,1,0]=4 12495 B18R2.528890 Cc1cc(c2nc(ccc2c1)NCC(C)C)C 27a_100000210953_200012017542 [0,2,0,0,0,0|2,0,0]=4 12496 B18R2.528890 Cc1cc(c2nc(ccc2c1)SCC(C)C)C 62a_100000210624_200012017542 [0,2,0,0,0,0|1,1,0]=4 12497 B18R2.528890 Fc1cc(cc2c1cc(cc2)OCC(F)F)Br 34a_100010201084_100011934356 [0,2,0,0,0,0|2,0,0]=4 12498 B18R2.528890 Fc1cc(cc2c1cc(cc2)OCC(F)F)Br 7a_100010201084_100011934356 [0,2,0,0,0,0|2,0,0]=4 12499 B18R2.1263092 C=C(C)COc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000748629 [0,2,0,0,0,0|0,0,2]=4 12500 B18R2.1263092 C=C(C)COc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000748629 [0,2,0,0,0,0|0,0,2]=4 12501 B18R2.1263092 CC(C)COc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000210624 [0,2,0,0,0,0|0,0,0]=2 12502 B18R2.1263092 CC(C)COc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000210760 [0,2,0,0,0,0|0,0,0]=2 12503 B18R2.1263092 CC(O)COc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100011218427 [0,2,0,0,0,0|1,0,0]=3 12504 B18R2.1263092 CC(O)COc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100011218427 [0,2,0,0,0,0|1,0,0]=3 12505 B18R2.1263092 CC(O)COc1ccc2cc(ccc2c1F)Br 34a_100010730138_100011218427 [0,2,0,0,0,0|1,0,0]=3 12506 B18R2.1263092 CC(O)COc1ccc2cc(ccc2c1F)Br 7a_100010730138_100011218427 [0,2,0,0,0,0|1,0,0]=3 12507 B18R2.1263092 C[C@@H](O)COc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100009817552 [0,2,0,0,0,0|1,0,0]=3 12508 B18R2.1263092 C[C@@H](O)COc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100009817552 [0,2,0,0,0,0|1,0,0]=3 12509 B18R2.1263092 C[C@@H](O)COc1ccc2cc(ccc2c1F)Br 34a_100010730138_100009817552 [0,2,0,0,0,0|1,0,0]=3 12510 B18R2.1263092 C[C@@H](O)COc1ccc2cc(ccc2c1F)Br 7a_100010730138_100009817552 [0,2,0,0,0,0|1,0,0]=3 12511 B18R2.1263092 Cc1ccc2c(c(ccc2n1)OCC(C)C)Br 34a_100010269489_100000210624 [0,2,0,0,0,0|1,0,0]=3 12512 B18R2.1263092 Cc1ccc2c(c(ccc2n1)OCC(C)C)Br 7a_100010269489_100000210760 [0,2,0,0,0,0|1,0,0]=3 12513 B18R2.1263092 Cc1ccc2c(c(ccc2n1)OCC(C)O)Br 34a_100010269489_100011218427 [0,2,0,0,0,0|2,0,0]=4 12514 B18R2.1263092 Cc1ccc2c(c(ccc2n1)OCC(C)O)Br 7a_100010269489_100011218427 [0,2,0,0,0,0|2,0,0]=4 12515 B18R2.1263092 Cc1ccc2c(c(ccc2n1)OC[C@@H](C)O)Br 34a_100010269489_100009817552 [0,2,0,0,0,0|2,0,0]=4 12516 B18R2.1263092 Cc1ccc2c(c(ccc2n1)OC[C@@H](C)O)Br 7a_100010269489_100009817552 [0,2,0,0,0,0|2,0,0]=4 12517 B18R2.1263092 Fc1c(ccc2c1ccc(c2)Br)OCC(F)F 34a_100010730138_100011934356 [0,2,0,0,0,0|2,0,0]=4 12518 B18R2.1263092 Fc1c(ccc2c1ccc(c2)Br)OCC(F)F 7a_100010730138_100011934356 [0,2,0,0,0,0|2,0,0]=4 12519 B18R2.59637 CC(C)CSc1ccc2c(=O)cc[nH]c2c1F 62a_100000210624_100022010583 [0,2,0,0,0,0|1,1,0]=4 12520 B18R2.105379 COc1cccc2c1ccc(n2)NCC(C)C 27a_100000210953_100010382897 [0,2,0,0,0,0|2,0,0]=4 12521 B18R2.105379 COc1ccnc2c1ccc(c2)SCC(C)C 62a_100000210624_100010204255 [0,2,0,0,0,0|1,1,0]=4 12522 B18R2.1214020 CC(O)COc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100011218427 [0,2,0,0,0,0|1,0,0]=3 12523 B18R2.1214020 CC(O)COc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100011218427 [0,2,0,0,0,0|1,0,0]=3 12524 B18R2.1214020 C[C@@H](O)COc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100009817552 [0,2,0,0,0,0|1,0,0]=3 12525 B18R2.1214020 C[C@@H](O)COc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100009817552 [0,2,0,0,0,0|1,0,0]=3 12526 B18R2.1214020 FC(F)COc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100011934356 [0,2,0,0,0,0|2,0,0]=4 12527 B18R2.1214020 FC(F)COc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100011934356 [0,2,0,0,0,0|2,0,0]=4 12528 B18R2.59640 CC(C)CSc1cc(c2[nH]ccc(=O)c2c1)F 62a_100000210624_100000749450 [0,2,0,0,0,0|1,1,0]=4 12529 B18R2.59640 Cc1cc(nc2c1cccc2C)SCC(C)C 62a_100000008058_100000210760 [0,2,0,0,0,0|1,1,0]=4 12530 B18R2.59640 Cc1cc(nc2c1cccc2C)SCC(C)C 62a_100000210624_100000008058 [0,2,0,0,0,0|1,1,0]=4 12531 B18R2.60824 CC(C)CSc1cc(c2cccnc2c1O)Cl 62a_100000210624_100000211503 [0,2,0,0,0,0|1,1,0]=4 12532 B18R2.60824 CC(C)CSc1cc(c2ncccc2c1F)F 62a_100000210624_200009817093 [0,2,0,0,0,0|1,1,0]=4 12533 B18R2.60824 CC(C)CSc1cc(c2ncccc2c1F)F 62a_200009817093_100000210760 [0,2,0,0,0,0|1,1,0]=4 12534 B18R2.60824 CC(C)NCc1cc(c2ccccc2c1F)Br 207a_100138425928_100010235050 [0,2,0,0,0,0|2,0,0]=4 12535 B18R2.113833 COc1cc(cc2c1cccn2)SCC(C)C 62a_100000210624_100010248854 [0,2,0,0,0,0|1,1,0]=4 12536 B18R2.113833 COc1cc(cc2c1nccc2)SCC(C)C 62a_100000210624_100010248852 [0,2,0,0,0,0|1,1,0]=4 12537 B18R2.113833 COc1cc(nc2c1cccc2)NCC(C)C 27a_100000210953_200010892118 [0,2,0,0,0,0|2,0,0]=4 12538 B18R2.113833 COc1nc(cc2c1cccc2)SCC(C)C 62a_100000210624_200000116906 [0,2,0,0,0,0|1,1,0]=4 12539 B18R2.23220 C=C(C)COc1ccc2ccccc2c1N=O 34a_100000212102_100000748629 [0,2,0,0,0,0|0,0,2]=4 12540 B18R2.23220 C=C(C)COc1ccc2ccccc2c1N=O 7a_100000212102_100000748629 [0,2,0,0,0,0|0,0,2]=4 12541 B18R2.23220 CC(C)C=Cc1ccc2ccccc2c1C=O 271570a_100016257149_100010090029 [0,2,0,0,0,0|1,0,1]=4 12542 B18R2.23220 CC(C)COc1ccc2ccccc2c1N=O 34a_100000212102_100000210624 [0,2,0,0,0,0|0,0,0]=2 12543 B18R2.23220 CC(C)COc1ccc2ccccc2c1N=O 7a_100000212102_100000210760 [0,2,0,0,0,0|0,0,0]=2 12544 B18R2.23220 CC(C)COc1cnc2ccccc2c1C#N 7a_100009853984_100000210760 [0,2,0,0,0,0|1,0,0]=3 12545 B18R2.23220 CC(C)CSc1ccc2ccccc2c1C=O 62a_100010090029_100000210760 [0,2,0,0,0,0|0,1,0]=3 12546 B18R2.23220 CC(O)COc1ccc2ccccc2c1N=O 34a_100000212102_100011218427 [0,2,0,0,0,0|1,0,0]=3 12547 B18R2.23220 CC(O)COc1ccc2ccccc2c1N=O 7a_100000212102_100011218427 [0,2,0,0,0,0|1,0,0]=3 12548 B18R2.23220 CC(O)COc1cnc2ccccc2c1C#N 7a_100009853984_100011218427 [0,2,0,0,0,0|2,0,0]=4 12549 B18R2.23220 CC(O)CSc1ccc2ccccc2c1C=O 62a_100010090029_100011218427 [0,2,0,0,0,0|1,1,0]=4 12550 B18R2.23220 COc1c(ccc2c1cccc2)C=CC(C)C 271570a_100016257149_100010089960 [0,2,0,0,0,0|1,0,1]=4 12551 B18R2.23220 COc1c(ccc2c1cccc2)COC(C)C 34a_200000067034_100000210206 [0,2,0,0,0,0|2,0,0]=4 12552 B18R2.23220 COc1c(ccc2c1cccc2)COC(C)C 7a_200000067034_100000210206 [0,2,0,0,0,0|2,0,0]=4 12553 B18R2.23220 COc1c(ccc2c1cccc2)SCC(C)C 62a_100000210624_100010089960 [0,2,0,0,0,0|0,1,0]=3 12554 B18R2.23220 COc1c(ccc2c1cccc2)SCC(C)O 62a_100011218427_100010089960 [0,2,0,0,0,0|1,1,0]=4 12555 B18R2.23220 COc1c(ccc2c1cccc2)SC[C@@H](C)O 62a_100009817552_100010089960 [0,2,0,0,0,0|1,1,0]=4 12556 B18R2.23220 COc1c(ccc2c1cccn2)NCC(C)C 34a_100009831023_100000210624 [0,2,0,0,0,0|2,0,0]=4 12557 B18R2.23220 COc1c(ccc2c1nccc2)SCC(C)C 62a_100000210624_100010256708 [0,2,0,0,0,0|1,1,0]=4 12558 B18R2.23220 C[C@@H](O)COc1ccc2ccccc2c1N=O 34a_100000212102_100009817552 [0,2,0,0,0,0|1,0,0]=3 12559 B18R2.23220 C[C@@H](O)COc1ccc2ccccc2c1N=O 7a_100000212102_100009817552 [0,2,0,0,0,0|1,0,0]=3 12560 B18R2.23220 C[C@@H](O)COc1cnc2ccccc2c1C#N 7a_100009853984_100009817552 [0,2,0,0,0,0|2,0,0]=4 12561 B18R2.23220 C[C@@H](O)CSc1ccc2ccccc2c1C=O 62a_100010090029_100009817552 [0,2,0,0,0,0|1,1,0]=4 12562 B18R2.23220 O=Nc1c(ccc2c1cccc2)OCC(F)F 34a_100000212102_100011934356 [0,2,0,0,0,0|2,0,0]=4 12563 B18R2.23220 O=Nc1c(ccc2c1cccc2)OCC(F)F 7a_100000212102_100011934356 [0,2,0,0,0,0|2,0,0]=4 12564 B18R2.773678 C=C(C)COc1ccc2cccc(c2c1)C#N 34a_100009864607_100000748629 [0,2,0,0,0,0|0,0,2]=4 12565 B18R2.773678 C=C(C)COc1ccc2cccc(c2c1)C#N 7a_100009864607_100000748629 [0,2,0,0,0,0|0,0,2]=4 12566 B18R2.773678 CC(C)COc1ccc2cccc(c2c1)C#N 34a_100009864607_100000210624 [0,2,0,0,0,0|0,0,0]=2 12567 B18R2.773678 CC(C)COc1ccc2cccc(c2c1)C#N 7a_100009864607_100000210760 [0,2,0,0,0,0|0,0,0]=2 12568 B18R2.773678 CC(C)CSc1ccc2nccc(c2c1)C=O 62a_100000210624_100010176920 [0,2,0,0,0,0|1,1,0]=4 12569 B18R2.773678 CC(C)CSc1ccc2nccc(c2c1)C=O 62a_100010176920_100000210760 [0,2,0,0,0,0|1,1,0]=4 12570 B18R2.773678 CC(O)COc1ccc2cccc(c2c1)C#N 34a_100009864607_100011218427 [0,2,0,0,0,0|1,0,0]=3 12571 B18R2.773678 CC(O)COc1ccc2cccc(c2c1)C#N 7a_100009864607_100011218427 [0,2,0,0,0,0|1,0,0]=3 12572 B18R2.773678 CNc1ccnc2c1cc(cc2)SCC(C)C 62a_100000210624_200011620572 [0,2,0,0,0,0|1,1,0]=4 12573 B18R2.773678 COc1cccc2c1nc(cc2)NCC(C)C 27a_100000210953_200011787714 [0,2,0,0,0,0|2,0,0]=4 12574 B18R2.773678 COc1cccc2c1nc(cc2)SCC(C)C 62a_100000210624_200011787714 [0,2,0,0,0,0|1,1,0]=4 12575 B18R2.773678 COc1ccnc2c1cc(cc2)SCC(C)C 62a_100000210624_100009816692 [0,2,0,0,0,0|1,1,0]=4 12576 B18R2.773678 COc1nccc2c1cc(cc2)SCC(C)C 62a_100000210624_200011098638 [0,2,0,0,0,0|1,1,0]=4 12577 B18R2.773678 C[C@@H](O)COc1ccc2cccc(c2c1)C#N 34a_100009864607_100009817552 [0,2,0,0,0,0|1,0,0]=3 12578 B18R2.773678 C[C@@H](O)COc1ccc2cccc(c2c1)C#N 7a_100009864607_100009817552 [0,2,0,0,0,0|1,0,0]=3 12579 B18R2.773678 N#Cc1cccc2c1cc(cc2)OCC(F)F 34a_100009864607_100011934356 [0,2,0,0,0,0|2,0,0]=4 12580 B18R2.773678 N#Cc1cccc2c1cc(cc2)OCC(F)F 7a_100009864607_100011934356 [0,2,0,0,0,0|2,0,0]=4 12581 B16R2.7239 C=CCNc1ccc(cc1)OCC2CC2 34a_100000755442_100015514636 [0,0,1,1,0,0|1,0,1]=4 12582 B16R2.7239 C=CCSc1ccc(cc1)OCC2CC2 62a_100000210623_100011316336 [0,0,1,1,0,0|1,0,1]=4 12583 B16R2.7239 C=CCSc1ccc(cc1)OCC2CC2 62a_100011316336_100000210623 [0,0,1,1,0,0|1,0,1]=4 12584 B16R2.7239 O=C/C=C/c1ccc(cc1)SCC2CC2 62a_100000756562_100016291818 [0,0,1,1,0,0|1,1,0]=4 12585 B16R2.7239 O=C/C=C/c1ccc(cc1)SCC2CC2 62a_100016291818_100000742324 [0,0,1,1,0,0|1,1,0]=4 12586 B16R2.36 CC(C)CC=Cc1coc2c1cccc2 271570a_100016259101_100009812202 [0,0,1,1,0,0|2,0,0]=4 12587 B16R2.36 CC(C)CC=Cc1csc2c1cccc2 271570a_100016259101_100009813928 [0,0,1,1,0,0|2,0,0]=4 12588 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100000210257_200000742921 [0,0,1,1,0,0|1,0,1]=4 12589 B16R2.36 CC(C)COCc1csc2c1cccc2 34a_100011219454_100000210624 [0,0,1,1,0,0|1,0,1]=4 12590 B16R2.7869 C=Cc1ccccc1C=NNCC2CC2 4a_100000736359_200011996377 [0,0,1,1,0,0|2,0,0]=4 12591 B16R2.492 CC(C)CC=Cc1cc2ccccc2[nH]1 271570a_100016259101_100010232065 [0,0,1,1,0,0|2,0,0]=4 12592 B16R2.492 CC(C)CC=Cc1cc2ccccc2o1 271570a_100016259101_100010159458 [0,0,1,1,0,0|2,0,0]=4 12593 B16R2.492 CC(C)CC=Cc1cc2ccccc2s1 271570a_100016259101_100009816949 [0,0,1,1,0,0|2,0,0]=4 12594 B16R2.492 CC(C)COCc1cc2ccccc2o1 34a_100000233474_100000210624 [0,0,1,1,0,0|1,0,1]=4 12595 B16R2.492 CC(C)COCc1cc2ccccc2o1 7a_100000233474_100000210760 [0,0,1,1,0,0|1,0,1]=4 12596 B16R2.24410 CC(C)COc1ccc(c2c1occ2)Br 34a_200020711608_100000210624 [0,0,1,1,0,0|2,0,0]=4 12597 B16R2.24410 CC(C)COc1ccc(c2c1occ2)Br 7a_200020711608_100000210760 [0,0,1,1,0,0|2,0,0]=4 12598 B16R2.24410 Cc1ccc(c2c1[nH]cc2)OCC(C)C 34a_100000132354_100000210624 [0,0,1,1,0,0|1,0,1]=4 12599 B16R2.34542 C=CCSc1cccc(c1)OCC2CC2 62a_100000210623_100011316337 [0,0,1,1,0,0|1,0,1]=4 12600 B16R2.34542 C=CCSc1cccc(c1)OCC2CC2 62a_100011316337_100000210623 [0,0,1,1,0,0|1,0,1]=4 12601 B16R2.179941 C=C(C)COc1cccc2c1cccc2 34a_100000210388_100000748629 [0,0,1,1,0,0|0,0,2]=4 12602 B16R2.179941 C=C(C)COc1cccc2c1cccc2 7a_100000210388_100000748629 [0,0,1,1,0,0|0,0,2]=4 12603 B16R2.179941 CC(=O)COc1cccc2c1cccc2 1458a_100000183701_200000210301 [0,0,1,1,0,0|1,0,1]=4 12604 B16R2.179941 CC(C)C=Cc1cccc2c1cccc2 271570a_100016257149_100000210605 [0,0,1,1,0,0|1,0,1]=4 12605 B16R2.179941 CC(C)CNc1cccc2c1cccc2 34a_100000185869_100000210624 [0,0,1,1,0,0|1,0,0]=3 12606 B16R2.179941 CC(C)CNc1cccc2c1cccn2 27a_100000210953_100011290932 [0,0,1,1,0,0|2,0,0]=4 12607 B16R2.179941 CC(C)CNc1cccc2c1cccn2 34a_100000183906_100000210624 [0,0,1,1,0,0|2,0,0]=4 12608 B16R2.179941 CC(C)CNc1cccc2c1nccc2 34a_100000181377_100000210624 [0,0,1,1,0,0|2,0,0]=4 12609 B16R2.179941 CC(C)CNc1ccnc2c1cccc2 27a_100000210953_100011215880 [0,0,1,1,0,0|2,0,0]=4 12610 B16R2.179941 CC(C)CNc1nccc2c1cccc2 27a_100000210953_100011934041 [0,0,1,1,0,0|2,0,0]=4 12611 B16R2.179941 CC(C)COc1cccc2c1CC=CC2 34a_100000074931_100000210624 [0,0,1,1,0,0|0,0,2]=4 12612 B16R2.179941 CC(C)COc1cccc2c1CC=CC2 7a_100000074931_100000210760 [0,0,1,1,0,0|0,0,2]=4 12613 B16R2.179941 CC(C)COc1cccc2c1cccc2 34a_100000210388_100000210624 [0,0,1,1,0,0|0,0,0]=2 12614 B16R2.179941 CC(C)COc1cccc2c1cccc2 7a_100000210388_100000210760 [0,0,1,1,0,0|0,0,0]=2 12615 B16R2.179941 CC(C)COc1cccc2c1cccn2 34a_100011197808_100000210624 [0,0,1,1,0,0|1,0,0]=3 12616 B16R2.179941 CC(C)COc1cccc2c1ccnc2 34a_100011218533_100000210624 [0,0,1,1,0,0|1,0,0]=3 12617 B16R2.179941 CC(C)COc1cccc2c1cncc2 34a_103624766955_100000210624 [0,0,1,1,0,0|1,0,0]=3 12618 B16R2.179941 CC(C)COc1cccc2c1nccc2 34a_100000056035_100000210624 [0,0,1,1,0,0|1,0,0]=3 12619 B16R2.179941 CC(C)COc1cccc2c1nccn2 34a_100000077048_100000210624 [0,0,1,1,0,0|2,0,0]=4 12620 B16R2.179941 CC(C)COc1cccc2c1ncnc2 34a_200000077003_100000210624 [0,0,1,1,0,0|2,0,0]=4 12621 B16R2.179941 CC(C)COc1cncc2c1cccc2 34a_100000066178_100000210624 [0,0,1,1,0,0|1,0,0]=3 12622 B16R2.179941 CC(C)COc1cncc2c1cccc2 7a_100000066178_100000210760 [0,0,1,1,0,0|1,0,0]=3 12623 B16R2.179941 CC(C)COc1nccc2c1cccc2 34a_102531767632_100000210624 [0,0,1,1,0,0|1,0,0]=3 12624 B16R2.179941 CC(C)CSc1cccc2c1cccc2 62a_100000210624_100000210605 [0,0,1,1,0,0|0,1,0]=3 12625 B16R2.179941 CC(C)CSc1cccc2c1cccn2 62a_100000210624_100011290932 [0,0,1,1,0,0|1,1,0]=4 12626 B16R2.179941 CC(C)CSc1cccc2c1cccn2 62a_100011290932_100000210760 [0,0,1,1,0,0|1,1,0]=4 12627 B16R2.179941 CC(C)CSc1cccc2c1ccnc2 62a_100000186358_100000210760 [0,0,1,1,0,0|1,1,0]=4 12628 B16R2.179941 CC(C)CSc1cccc2c1ccnc2 62a_100000210624_100000186358 [0,0,1,1,0,0|1,1,0]=4 12629 B16R2.179941 CC(C)CSc1cccc2c1cncc2 62a_100000210624_100000685578 [0,0,1,1,0,0|1,1,0]=4 12630 B16R2.179941 CC(C)CSc1cccc2c1cncc2 62a_100000685578_100000210760 [0,0,1,1,0,0|1,1,0]=4 12631 B16R2.179941 CC(C)CSc1cccc2c1nccc2 62a_100000210624_100011215545 [0,0,1,1,0,0|1,1,0]=4 12632 B16R2.179941 CC(C)CSc1ccnc2c1cccc2 62a_100000210624_100011215880 [0,0,1,1,0,0|1,1,0]=4 12633 B16R2.179941 CC(C)CSc1ccnc2c1cccc2 62a_100011458314_100000210760 [0,0,1,1,0,0|1,1,0]=4 12634 B16R2.179941 CC(C)CSc1cncc2c1cccc2 62a_100000187577_100000210760 [0,0,1,1,0,0|1,1,0]=4 12635 B16R2.179941 CC(C)CSc1cncc2c1cccc2 62a_100000210624_100000187577 [0,0,1,1,0,0|1,1,0]=4 12636 B16R2.179941 CC(C)CSc1nccc2c1cccc2 62a_100000210624_100011934041 [0,0,1,1,0,0|1,1,0]=4 12637 B16R2.179941 CC(C)CSc1nccc2c1cccc2 62a_100011934041_100000210760 [0,0,1,1,0,0|1,1,0]=4 12638 B16R2.179941 CC(C)NCc1cccc2c1cccc2 207a_100138425928_100000210074 [0,0,1,1,0,0|2,0,0]=4 12639 B16R2.179941 CC(C)NCc1cccc2c1cccc2 2230a_100138425928_100011261445 [0,0,1,1,0,0|2,0,0]=4 12640 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100000753325_100000210206 [0,0,1,1,0,0|2,0,0]=4 12641 B16R2.179941 CC(C)NCc1cccc2c1cccc2 34a_100138425928_100011261445 [0,0,1,1,0,0|2,0,0]=4 12642 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100000212225_100011261445 [0,0,1,1,0,0|2,0,0]=4 12643 B16R2.179941 CC(C)OCc1cccc2c1cccc2 34a_100011216843_100000210206 [0,0,1,1,0,0|2,0,0]=4 12644 B16R2.179941 CC(C)OCc1cccc2c1cccc2 7a_100011216843_100000210206 [0,0,1,1,0,0|2,0,0]=4 12645 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100000210206_100000188474 [0,0,1,1,0,0|2,0,0]=4 12646 B16R2.179941 CC(C)SCc1cccc2c1cccc2 62a_100011261445_100000210206 [0,0,1,1,0,0|2,0,0]=4 12647 B16R2.179941 CC(O)CNc1cccc2c1cccc2 34a_100000185869_100011218427 [0,0,1,1,0,0|2,0,0]=4 12648 B16R2.179941 CC(O)COc1cccc2c1cccc2 34a_100000210388_100011218427 [0,0,1,1,0,0|1,0,0]=3 12649 B16R2.179941 CC(O)COc1cccc2c1cccc2 7a_100000210388_100011218427 [0,0,1,1,0,0|1,0,0]=3 12650 B16R2.179941 CC(O)COc1cccc2c1cccn2 34a_100011197808_100011218427 [0,0,1,1,0,0|2,0,0]=4 12651 B16R2.179941 CC(O)COc1cccc2c1ccnc2 34a_100011218533_100011218427 [0,0,1,1,0,0|2,0,0]=4 12652 B16R2.179941 CC(O)COc1cccc2c1cncc2 34a_103624766955_100011218427 [0,0,1,1,0,0|2,0,0]=4 12653 B16R2.179941 CC(O)COc1cccc2c1nccc2 34a_100000056035_100011218427 [0,0,1,1,0,0|2,0,0]=4 12654 B16R2.179941 CC(O)COc1cncc2c1cccc2 34a_100000066178_100011218427 [0,0,1,1,0,0|2,0,0]=4 12655 B16R2.179941 CC(O)COc1cncc2c1cccc2 7a_100000066178_100011218427 [0,0,1,1,0,0|2,0,0]=4 12656 B16R2.179941 CC(O)COc1nccc2c1cccc2 34a_102531767632_100011218427 [0,0,1,1,0,0|2,0,0]=4 12657 B16R2.179941 CC(O)CSc1cccc2c1cccc2 62a_100011218427_100000210605 [0,0,1,1,0,0|1,1,0]=4 12658 B16R2.179941 CN(C)CCc1cccc2c1cccc2 2230a_100102631434_100011290781 [0,0,1,1,0,0|2,0,0]=4 12659 B16R2.179941 CN(C)CCc1cccc2c1cccc2 269982a_100102631434_100011290781 [0,0,1,1,0,0|2,0,0]=4 12660 B16R2.179941 C[C@@H](O)CNc1cccc2c1cccc2 34a_100000185869_100009817552 [0,0,1,1,0,0|2,0,0]=4 12661 B16R2.179941 C[C@@H](O)COc1cccc2c1cccc2 34a_100000210388_100009817552 [0,0,1,1,0,0|1,0,0]=3 12662 B16R2.179941 C[C@@H](O)COc1cccc2c1cccc2 7a_100000210388_100009817552 [0,0,1,1,0,0|1,0,0]=3 12663 B16R2.179941 C[C@@H](O)COc1cccc2c1cccn2 34a_100011197808_100009817552 [0,0,1,1,0,0|2,0,0]=4 12664 B16R2.179941 C[C@@H](O)COc1cccc2c1ccnc2 34a_100011218533_100009817552 [0,0,1,1,0,0|2,0,0]=4 12665 B16R2.179941 C[C@@H](O)COc1cccc2c1cncc2 34a_103624766955_100009817552 [0,0,1,1,0,0|2,0,0]=4 12666 B16R2.179941 C[C@@H](O)COc1cccc2c1nccc2 34a_100000056035_100009817552 [0,0,1,1,0,0|2,0,0]=4 12667 B16R2.179941 C[C@@H](O)COc1cncc2c1cccc2 34a_100000066178_100009817552 [0,0,1,1,0,0|2,0,0]=4 12668 B16R2.179941 C[C@@H](O)COc1cncc2c1cccc2 7a_100000066178_100009817552 [0,0,1,1,0,0|2,0,0]=4 12669 B16R2.179941 C[C@@H](O)COc1nccc2c1cccc2 34a_102531767632_100009817552 [0,0,1,1,0,0|2,0,0]=4 12670 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccc2 62a_100009817552_100000210605 [0,0,1,1,0,0|1,1,0]=4 12671 B16R2.179941 FC(F)COc1cccc2c1cccc2 34a_100000210388_100011934356 [0,0,1,1,0,0|2,0,0]=4 12672 B16R2.179941 FC(F)COc1cccc2c1cccc2 7a_100000210388_100011934356 [0,0,1,1,0,0|2,0,0]=4 12673 B16R2.179941 [13CH3]C(=O)COc1cccc2c1cccc2 1458a_100000183701_200025704644 [0,0,1,1,0,0|1,0,1]=4 12674 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccc2 11a_100000702820_100000210462 [0,0,1,1,0,0|2,0,0]=4 12675 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CC2 1458a_100000210462_100000694398 [0,0,1,1,0,0|2,0,0]=4 12676 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 11a_100000735609_100000210462 [0,0,1,1,0,0|2,0,0]=4 12677 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 1626a_100000735609_100000210462 [0,0,1,1,0,0|2,0,0]=4 12678 B16R3.63903 c1cc2cc(ccc2cn1)NC3CC3 34a_100000039641_100000211595 [1,0,0,1,0,0|2,0,0]=4 12679 B16R3.63903 c1cc2cc(ccc2cn1)OC3CC3 34a_100000046372_100000211595 [1,0,0,1,0,0|1,0,0]=3 12680 B16R3.63903 c1cc2cc(ccc2cn1)SC3CC3 62a_100009816743_100000211595 [1,0,0,1,0,0|1,1,0]=4 12681 B16R3.63903 c1cc2ccc(cc2cn1)SC3CC3 62a_100000686496_100000211595 [1,0,0,1,0,0|1,1,0]=4 12682 B16R3.63903 c1ccc2cc(ccc2c1)NC3CC3 34a_100000211940_100000211595 [1,0,0,1,0,0|1,0,0]=3 12683 B16R3.63903 c1ccc2cc(ccc2c1)OC3CC3 34a_100000185828_100000211595 [1,0,0,1,0,0|0,0,0]=2 12684 B16R3.63903 c1ccc2cc(ncc2c1)SC3CC3 62a_100009816522_100000211595 [1,0,0,1,0,0|1,1,0]=4 12685 B16R3.63903 c1ccc2nc(ccc2c1)NC3CC3 27a_100000212008_100011291633 [1,0,0,1,0,0|2,0,0]=4 12686 B16R3.63903 c1ccc2nc(ccc2c1)SC3CC3 62a_100011291633_100000211595 [1,0,0,1,0,0|1,1,0]=4 12687 B16R3.63903 c1ccc2ncc(cc2c1)OC3CC3 34a_100011934006_100000211595 [1,0,0,1,0,0|1,0,0]=3 12688 B16R3.63903 c1cnc2cc(ccc2c1)NC3CC3 34a_100102887122_100000211595 [1,0,0,1,0,0|2,0,0]=4 12689 B16R3.63903 c1cnc2cc(ccc2c1)OC3CC3 34a_100011216045_100000211595 [1,0,0,1,0,0|1,0,0]=3 12690 B16R3.63903 c1cnc2cc(ccc2n1)OC3CC3 34a_100000694412_100000211595 [1,0,0,1,0,0|2,0,0]=4 12691 B16R3.63903 c1cnc2ccc(cc2c1)NC3CC3 34a_100011198106_100000211595 [1,0,0,1,0,0|2,0,0]=4 12692 B16R3.63903 c1cnc2ccc(cc2c1)OC3CC3 34a_100011215586_100000211595 [1,0,0,1,0,0|1,0,0]=3 12693 B16R3.63903 c1cnc2ccc(cc2c1)SC3CC3 62a_100011215947_100000211595 [1,0,0,1,0,0|1,1,0]=4 12694 B16R3.275899 c1ccc2nc(ccc2c1)N3CCC3 27a_100000754969_100011291633 [1,0,0,1,0,0|2,0,0]=4 12695 B16R3.1814 c1ccc2c(coc2c1)SCC3CC3 62a_100000756562_100009812202 [0,0,0,1,1,0|1,1,0]=4 12696 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 34a_100000077758_100000742324 [0,0,0,1,1,0|1,0,0]=3 12697 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 7a_100000077758_100000742324 [0,0,0,1,1,0|1,0,0]=3 12698 B16R3.1814 c1ccc2c(csc2c1)OCC3CO3 34a_100000077758_102125554688 [0,0,0,1,1,0|2,0,0]=4 12699 B16R3.1814 c1ccc2c(csc2c1)OCC3CO3 7a_100000077758_102125554688 [0,0,0,1,1,0|2,0,0]=4 12700 B16R3.1814 c1ccc2c(csc2c1)OCC3CS3 7a_100000077758_100000031435 [0,0,0,1,1,0|2,0,0]=4 12701 B16R3.1814 c1ccc2c(csc2c1)OC[C@@H]3CO3 7a_100000077758_100000745022 [0,0,0,1,1,0|2,0,0]=4 12702 B16R3.1814 c1ccc2c(csc2c1)SCC3CC3 62a_100000756562_100009813928 [0,0,0,1,1,0|1,1,0]=4 12703 B16R3.275948 c1ccc2[nH]c(cc2c1)SCC3CC3 62a_100000756562_100010232065 [0,0,0,1,1,0|1,1,0]=4 12704 B16R3.275948 c1ccc2oc(cc2c1)SCC3CC3 62a_100000756562_100010159458 [0,0,0,1,1,0|1,1,0]=4 12705 B16R3.275948 c1ccc2sc(cc2c1)SCC3CC3 62a_100000756562_100009816949 [0,0,0,1,1,0|1,1,0]=4 12706 B16R3.6439 C1=Cc2cc(ccc2C1)SCC3CC3 62a_100000756562_100009814306 [0,0,0,1,1,0|0,1,1]=4 12707 B16R3.6439 C1=Cc2cc(ccc2C1)SCC3CC3 62a_100009814306_100000742324 [0,0,0,1,1,0|0,1,1]=4 12708 B16R3.6439 C1=Cc2ccc(cc2C1)SCC3CC3 62a_100000756562_200009818231 [0,0,0,1,1,0|0,1,1]=4 12709 B16R3.6439 C1=Cc2ccc(cc2C1)SCC3CC3 62a_200009818231_100000742324 [0,0,0,1,1,0|0,1,1]=4 12710 B16R3.6439 c1cc2cc(ccc2[nH]1)OCC3CC3 34a_100000756620_100000742324 [0,0,0,1,1,0|1,0,0]=3 12711 B16R3.6439 c1cc2cc(ccc2[nH]1)OCC3CO3 34a_100000756620_102125554688 [0,0,0,1,1,0|2,0,0]=4 12712 B16R3.6439 c1cc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100000035808 [0,0,0,1,1,0|1,1,0]=4 12713 B16R3.6439 c1cc2cc(ccc2o1)NCC3CC3 34a_106430523501_100000742324 [0,0,0,1,1,0|2,0,0]=4 12714 B16R3.6439 c1cc2cc(ccc2o1)OCC3CC3 34a_100000070125_100000742324 [0,0,0,1,1,0|1,0,0]=3 12715 B16R3.6439 c1cc2cc(ccc2o1)OCC3CC3 7a_100000070125_100000742324 [0,0,0,1,1,0|1,0,0]=3 12716 B16R3.6439 c1cc2cc(ccc2o1)OCC3CO3 34a_100000070125_102125554688 [0,0,0,1,1,0|2,0,0]=4 12717 B16R3.6439 c1cc2cc(ccc2o1)OCC3CO3 7a_100000070125_102125554688 [0,0,0,1,1,0|2,0,0]=4 12718 B16R3.6439 c1cc2cc(ccc2o1)OCC3CS3 7a_100000070125_100000031435 [0,0,0,1,1,0|2,0,0]=4 12719 B16R3.6439 c1cc2cc(ccc2o1)OC[C@@H]3CO3 7a_100000070125_100000745022 [0,0,0,1,1,0|2,0,0]=4 12720 B16R3.6439 c1cc2cc(ccc2o1)SCC3CC3 62a_100000756562_100000691453 [0,0,0,1,1,0|1,1,0]=4 12721 B16R3.6439 c1cc2cc(ccc2s1)NCC3CC3 34a_100000681076_100000742324 [0,0,0,1,1,0|2,0,0]=4 12722 B16R3.6439 c1cc2cc(ccc2s1)OCC3CC3 34a_100012180905_100000742324 [0,0,0,1,1,0|1,0,0]=3 12723 B16R3.6439 c1cc2cc(ccc2s1)OCC3CC3 7a_100012180905_100000742324 [0,0,0,1,1,0|1,0,0]=3 12724 B16R3.6439 c1cc2cc(ccc2s1)OCC3CO3 34a_100012180905_102125554688 [0,0,0,1,1,0|2,0,0]=4 12725 B16R3.6439 c1cc2cc(ccc2s1)OCC3CO3 7a_100012180905_102125554688 [0,0,0,1,1,0|2,0,0]=4 12726 B16R3.6439 c1cc2cc(ccc2s1)OCC3CS3 7a_100012180905_100000031435 [0,0,0,1,1,0|2,0,0]=4 12727 B16R3.6439 c1cc2cc(ccc2s1)OC[C@@H]3CO3 7a_100012180905_100000745022 [0,0,0,1,1,0|2,0,0]=4 12728 B16R3.6439 c1cc2cc(ccc2s1)SCC3CC3 62a_100000756562_100009814439 [0,0,0,1,1,0|1,1,0]=4 12729 B16R3.6439 c1cc2cc(cnc2[nH]1)OCC3CC3 34a_100000087691_100000742324 [0,0,0,1,1,0|2,0,0]=4 12730 B16R3.6439 c1cc2ccc(cc2[nH]1)OCC3CC3 34a_100000036713_100000742324 [0,0,0,1,1,0|1,0,0]=3 12731 B16R3.6439 c1cc2ccc(cc2[nH]1)OCC3CO3 34a_100000036713_102125554688 [0,0,0,1,1,0|2,0,0]=4 12732 B16R3.6439 c1cc2ccc(cc2[nH]1)SCC3CC3 62a_100000756562_100000743809 [0,0,0,1,1,0|1,1,0]=4 12733 B16R3.6439 c1cc2ccc(cc2o1)NCC3CC3 34a_100000102395_100000742324 [0,0,0,1,1,0|2,0,0]=4 12734 B16R3.6439 c1cc2ccc(cc2o1)OCC3CC3 34a_100000089557_100000742324 [0,0,0,1,1,0|1,0,0]=3 12735 B16R3.6439 c1cc2ccc(cc2o1)OCC3CC3 7a_100000089557_100000742324 [0,0,0,1,1,0|1,0,0]=3 12736 B16R3.6439 c1cc2ccc(cc2o1)OCC3CO3 34a_100000089557_102125554688 [0,0,0,1,1,0|2,0,0]=4 12737 B16R3.6439 c1cc2ccc(cc2o1)OCC3CO3 7a_100000089557_102125554688 [0,0,0,1,1,0|2,0,0]=4 12738 B16R3.6439 c1cc2ccc(cc2o1)OCC3CS3 7a_100000089557_100000031435 [0,0,0,1,1,0|2,0,0]=4 12739 B16R3.6439 c1cc2ccc(cc2o1)OC[C@@H]3CO3 7a_100000089557_100000745022 [0,0,0,1,1,0|2,0,0]=4 12740 B16R3.6439 c1cc2ccc(cc2o1)SCC3CC3 62a_100000756562_100000759542 [0,0,0,1,1,0|1,1,0]=4 12741 B16R3.6439 c1cc2ccc(cc2s1)SCC3CC3 62a_100000756562_100009888917 [0,0,0,1,1,0|1,1,0]=4 12742 B16R3.6439 c1cc2cnoc2cc1OCC3CC3 34a_100000098417_100000742324 [0,0,0,1,1,0|2,0,0]=4 12743 B16R3.6439 c1cc2cnoc2cc1OCC3CC3 7a_100000098417_100000742324 [0,0,0,1,1,0|2,0,0]=4 12744 B16R3.6439 c1cc2cscc2cc1SCC3CC3 62a_100000756562_200010760811 [0,0,0,1,1,0|1,1,0]=4 12745 B16R3.6439 c1cn2ccc(cc2n1)OCC3CC3 34a_100009863278_100000742324 [0,0,0,1,1,0|2,0,0]=4 12746 B16R3.6439 c1nc2cc(ccc2s1)OCC3CC3 34a_200009850626_100000742324 [0,0,0,1,1,0|2,0,0]=4 12747 B16R3.6439 c1nc2cc(ccc2s1)OCC3CC3 7a_200009850626_100000742324 [0,0,0,1,1,0|2,0,0]=4 12748 B16R3.6439 c1nc2ccc(cc2s1)OCC3CC3 34a_100011995850_100000742324 [0,0,0,1,1,0|2,0,0]=4 12749 B16R3.6439 c1nc2ccc(cc2s1)OCC3CC3 7a_100011995850_100000742324 [0,0,0,1,1,0|2,0,0]=4 12750 B18R3.2942 C[C@@H]1CCN(C1)c2ccc3ccccc3n2 27a_100016987628_100011291633 [0,0,0,1,0,1|2,0,0]=4 12751 B18R3.6524 F[C@@H]1C[C@H]1NCc2ccc3ccccc3c2 2230a_100025746932_100011216711 [0,0,0,1,0,1|2,0,0]=4 12752 B18R3.6524 F[C@@H]1C[C@H]1NCc2ccc3ccccc3c2 34a_100025746932_100011216711 [0,0,0,1,0,1|2,0,0]=4 12753 B18R3.6524 F[C@H]1C[C@H]1NCc2ccc3ccccc3c2 2230a_100015190264_100011216711 [0,0,0,1,0,1|2,0,0]=4 12754 B18R3.55121 CC1CN(C1)Cc2cc3ccccc3cn2 2230a_100000702820_100009869231 [0,0,0,1,0,1|2,0,0]=4 12755 B18R3.55121 CC1CN(C1)Cc2cc3ccccc3cn2 269982a_100000702820_100009869231 [0,0,0,1,0,1|2,0,0]=4 12756 B18R3.55121 CC1CN(C1)Cc2cc3ccccc3cn2 270004a_100000702820_100000059776 [0,0,0,1,0,1|2,0,0]=4 12757 B18R3.55121 CC1CN(C1)Cc2cc3ccccc3cn2 34a_100000702820_100009869231 [0,0,0,1,0,1|2,0,0]=4 12758 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 2230a_100000702820_100011216711 [0,0,0,1,0,1|1,0,0]=3 12759 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000702820_100011216711 [0,0,0,1,0,1|1,0,0]=3 12760 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 270004a_100000702820_100000211584 [0,0,0,1,0,1|1,0,0]=3 12761 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 34a_100000702820_100011216711 [0,0,0,1,0,1|1,0,0]=3 12762 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3n2 2230a_100000702820_100000737579 [0,0,0,1,0,1|2,0,0]=4 12763 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3n2 270004a_100000702820_100000759686 [0,0,0,1,0,1|2,0,0]=4 12764 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3n2 34a_100000702820_100000737579 [0,0,0,1,0,1|2,0,0]=4 12765 B18R3.55121 CC1CN(C1)Cc2ccc3cccnc3c2 270004a_100000702820_100011784159 [0,0,0,1,0,1|2,0,0]=4 12766 B18R3.55121 CC1CN(C1)Cc2ccc3cnccc3c2 2230a_100000702820_100020605334 [0,0,0,1,0,1|2,0,0]=4 12767 B18R3.55121 CC1CN(C1)Cc2ccc3cnccc3c2 269982a_100000702820_100020605334 [0,0,0,1,0,1|2,0,0]=4 12768 B18R3.55121 CC1CN(C1)Cc2ccc3cnccc3c2 270004a_100000702820_100000068276 [0,0,0,1,0,1|2,0,0]=4 12769 B18R3.55121 CC1CN(C1)Cc2ccc3cnccc3c2 34a_100000702820_100020605334 [0,0,0,1,0,1|2,0,0]=4 12770 B18R3.55121 CC1CN(C1)Cc2ccc3ncccc3c2 2230a_100000702820_100000703657 [0,0,0,1,0,1|2,0,0]=4 12771 B18R3.55121 CC1CN(C1)Cc2ccc3ncccc3c2 269982a_100000702820_100000703657 [0,0,0,1,0,1|2,0,0]=4 12772 B18R3.55121 CC1CN(C1)Cc2ccc3ncccc3c2 270004a_100000702820_100000211315 [0,0,0,1,0,1|2,0,0]=4 12773 B18R3.55121 CC1CN(C1)Cc2ccc3ncccc3c2 34a_100000702820_100000703657 [0,0,0,1,0,1|2,0,0]=4 12774 B18R3.55121 CC1CN(C1)Cc2cnc3ccccc3c2 270004a_100000702820_100000750898 [0,0,0,1,0,1|2,0,0]=4 12775 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 2230a_100000690557_100011216711 [0,0,0,1,0,1|2,0,0]=4 12776 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000690557_100011216711 [0,0,0,1,0,1|2,0,0]=4 12777 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 270004a_100000690557_100000211584 [0,0,0,1,0,1|2,0,0]=4 12778 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 34a_100000690557_100011216711 [0,0,0,1,0,1|2,0,0]=4 12779 B18R3.55121 OC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000749847_100011216711 [0,0,0,1,0,1|2,0,0]=4 12780 B18R3.228675 C(=NNC1CC1)c2ccc3ccccc3c2 4a_100000701032_100000211584 [0,0,0,1,0,1|2,0,0]=4 12781 B18R3.228675 C(=NNc1ccc2ccccc2c1)C3CC3 4a_100016987534_100000741477 [0,0,0,1,0,1|1,0,1]=4 12782 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 207a_100000735609_100000068276 [0,0,0,1,0,1|2,0,0]=4 12783 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 2230a_100000735609_100020605334 [0,0,0,1,0,1|2,0,0]=4 12784 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 270004a_100000735609_100000068276 [0,0,0,1,0,1|2,0,0]=4 12785 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 34a_100000735609_100020605334 [0,0,0,1,0,1|2,0,0]=4 12786 B18R3.228675 c1cc2cc(ccc2cn1)COCC3CC3 34a_100000211283_100020605334 [0,0,0,1,0,1|1,0,0]=3 12787 B18R3.228675 c1cc2cc(ccc2cn1)COC[C@@H]3CO3 34a_100000757423_100020605334 [0,0,0,1,0,1|2,0,0]=4 12788 B18R3.228675 c1cc2cc(ccc2cn1)CSCC3CC3 62a_100000756562_100020605334 [0,0,0,1,0,1|1,1,0]=4 12789 B18R3.228675 c1cc2cc(ccc2cn1)CSCC3CC3 62a_100020605334_100000742324 [0,0,0,1,0,1|1,1,0]=4 12790 B18R3.228675 c1cc2cc(ccc2cn1)NCCC3CC3 34a_100000039641_100000694398 [0,0,0,1,0,1|2,0,0]=4 12791 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CC3 34a_100000046372_100000694398 [0,0,0,1,0,1|1,0,0]=3 12792 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CC3 7a_100000046372_100000764125 [0,0,0,1,0,1|1,0,0]=3 12793 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CO3 34a_100000046372_100000732470 [0,0,0,1,0,1|2,0,0]=4 12794 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CO3 7a_100000046372_100000732470 [0,0,0,1,0,1|2,0,0]=4 12795 B18R3.228675 c1cc2cc(ccc2cn1)SCCC3CC3 62a_100000764125_100009816743 [0,0,0,1,0,1|1,1,0]=4 12796 B18R3.228675 c1cc2cc(ccc2cn1)SCCC3CC3 62a_100009816743_100000764125 [0,0,0,1,0,1|1,1,0]=4 12797 B18R3.228675 c1cc2ccc(cc2cn1)OCCC3CC3 7a_100000752006_100000764125 [0,0,0,1,0,1|1,0,0]=3 12798 B18R3.228675 c1cc2ccc(cc2cn1)OCCC3CO3 7a_100000752006_100000732470 [0,0,0,1,0,1|2,0,0]=4 12799 B18R3.228675 c1cc2ccc(cc2cn1)SCCC3CC3 62a_100000686496_100000764125 [0,0,0,1,0,1|1,1,0]=4 12800 B18R3.228675 c1cc2ccc(cc2cn1)SCCC3CC3 62a_100000764125_100000686496 [0,0,0,1,0,1|1,1,0]=4 12801 B18R3.228675 c1ccc2cc(ccc2c1)CCNC3CC3 34a_100000746582_100000211595 [0,0,0,1,0,1|1,0,0]=3 12802 B18R3.228675 c1ccc2cc(ccc2c1)CCOC3CC3 34a_100000755654_100000211595 [0,0,0,1,0,1|1,0,0]=3 12803 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 207a_100000735609_100000211584 [0,0,0,1,0,1|1,0,0]=3 12804 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 2230a_100000735609_100011216711 [0,0,0,1,0,1|1,0,0]=3 12805 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 2230a_100000739491_100000742324 [0,0,0,1,0,1|1,0,0]=3 12806 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 269862a_100000739491_100000741477 [0,0,0,1,0,1|1,0,0]=3 12807 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 270004a_100000735609_100000211584 [0,0,0,1,0,1|1,0,0]=3 12808 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 34a_100000735609_100011216711 [0,0,0,1,0,1|1,0,0]=3 12809 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 34a_100000739491_100000742324 [0,0,0,1,0,1|1,0,0]=3 12810 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CO3 2230a_100000739491_100011216344 [0,0,0,1,0,1|2,0,0]=4 12811 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CO3 34a_100000739491_102125554688 [0,0,0,1,0,1|2,0,0]=4 12812 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CC3 34a_100000211283_100011216711 [0,0,0,1,0,1|0,0,0]=2 12813 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CC3 34a_100011215330_100000742324 [0,0,0,1,0,1|0,0,0]=2 12814 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CC3 7a_100011215330_100000742324 [0,0,0,1,0,1|0,0,0]=2 12815 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CO3 34a_100011215330_102125554688 [0,0,0,1,0,1|1,0,0]=3 12816 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CO3 7a_100011215330_102125554688 [0,0,0,1,0,1|1,0,0]=3 12817 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CS3 7a_100011215330_100000031435 [0,0,0,1,0,1|1,0,0]=3 12818 B18R3.228675 c1ccc2cc(ccc2c1)COC[C@@H]3CO3 34a_100000757423_100011216711 [0,0,0,1,0,1|1,0,0]=3 12819 B18R3.228675 c1ccc2cc(ccc2c1)COC[C@@H]3CO3 7a_100011215330_100000745022 [0,0,0,1,0,1|1,0,0]=3 12820 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CC3 62a_100000756562_100011216711 [0,0,0,1,0,1|0,1,0]=3 12821 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CC3 62a_100011216711_100000742324 [0,0,0,1,0,1|0,1,0]=3 12822 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CO3 62a_100011216711_102125554688 [0,0,0,1,0,1|1,1,0]=4 12823 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CO3 62a_102125554688_100011216711 [0,0,0,1,0,1|1,1,0]=4 12824 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CS3 62a_100000031435_100011216711 [0,0,0,1,0,1|1,1,0]=4 12825 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CS3 62a_100011216711_100000031435 [0,0,0,1,0,1|1,1,0]=4 12826 B18R3.228675 c1ccc2cc(ccc2c1)CSC[C@@H]3CO3 62a_100000745022_100011216711 [0,0,0,1,0,1|1,1,0]=4 12827 B18R3.228675 c1ccc2cc(ccc2c1)CSC[C@@H]3CO3 62a_100011216711_100000745022 [0,0,0,1,0,1|1,1,0]=4 12828 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CC3 34a_100000211940_100000694398 [0,0,0,1,0,1|1,0,0]=3 12829 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CC3 7a_100000211940_100000764125 [0,0,0,1,0,1|1,0,0]=3 12830 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CO3 34a_100000211940_100000732470 [0,0,0,1,0,1|2,0,0]=4 12831 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CO3 7a_100000211940_100000732470 [0,0,0,1,0,1|2,0,0]=4 12832 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CC3 34a_100000185828_100000694398 [0,0,0,1,0,1|0,0,0]=2 12833 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CC3 7a_100000185828_100000764125 [0,0,0,1,0,1|0,0,0]=2 12834 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CO3 34a_100000185828_100000732470 [0,0,0,1,0,1|1,0,0]=3 12835 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CO3 7a_100000185828_100000732470 [0,0,0,1,0,1|1,0,0]=3 12836 B18R3.228675 c1ccc2cc(ccc2c1)SCCC3CC3 62a_100000764125_100000233703 [0,0,0,1,0,1|0,1,0]=3 12837 B18R3.228675 c1ccc2cc(ccc2c1)SCCC3CO3 62a_100000732470_100000233703 [0,0,0,1,0,1|1,1,0]=4 12838 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 207a_100000735609_100000059776 [0,0,0,1,0,1|2,0,0]=4 12839 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 2230a_100000735609_100009869231 [0,0,0,1,0,1|2,0,0]=4 12840 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 270004a_100000735609_100000059776 [0,0,0,1,0,1|2,0,0]=4 12841 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 34a_100000735609_100009869231 [0,0,0,1,0,1|2,0,0]=4 12842 B18R3.228675 c1ccc2cc(ncc2c1)COCC3CC3 34a_100000211283_100009869231 [0,0,0,1,0,1|1,0,0]=3 12843 B18R3.228675 c1ccc2cc(ncc2c1)COC[C@@H]3CO3 34a_100000757423_100009869231 [0,0,0,1,0,1|2,0,0]=4 12844 B18R3.228675 c1ccc2cc(ncc2c1)CSCC3CC3 62a_100000756562_100009869231 [0,0,0,1,0,1|1,1,0]=4 12845 B18R3.228675 c1ccc2cc(ncc2c1)CSCC3CC3 62a_100009869231_100000742324 [0,0,0,1,0,1|1,1,0]=4 12846 B18R3.228675 c1ccc2cc(ncc2c1)SCCC3CC3 62a_100000764125_100000047361 [0,0,0,1,0,1|1,1,0]=4 12847 B18R3.228675 c1ccc2cc(ncc2c1)SCCC3CC3 62a_100009816522_100000764125 [0,0,0,1,0,1|1,1,0]=4 12848 B18R3.228675 c1ccc2nc(ccc2c1)CCOC3CC3 34a_100011996444_100000211595 [0,0,0,1,0,1|2,0,0]=4 12849 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 207a_100000735609_100000759686 [0,0,0,1,0,1|2,0,0]=4 12850 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 2230a_100000735609_100000737579 [0,0,0,1,0,1|2,0,0]=4 12851 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 270004a_100000735609_100000759686 [0,0,0,1,0,1|2,0,0]=4 12852 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 34a_100000735609_100000737579 [0,0,0,1,0,1|2,0,0]=4 12853 B18R3.228675 c1ccc2nc(ccc2c1)COCC3CC3 34a_100000211283_100000737579 [0,0,0,1,0,1|1,0,0]=3 12854 B18R3.228675 c1ccc2nc(ccc2c1)COC[C@@H]3CO3 34a_100000757423_100000737579 [0,0,0,1,0,1|2,0,0]=4 12855 B18R3.228675 c1ccc2nc(ccc2c1)CSCC3CC3 62a_100000737579_100000742324 [0,0,0,1,0,1|1,1,0]=4 12856 B18R3.228675 c1ccc2nc(ccc2c1)CSCC3CC3 62a_100000756562_100000737579 [0,0,0,1,0,1|1,1,0]=4 12857 B18R3.228675 c1ccc2nc(ccc2c1)NCCC3CC3 27a_100000764129_100011291633 [0,0,0,1,0,1|2,0,0]=4 12858 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CC3 62a_100000764125_100011291633 [0,0,0,1,0,1|1,1,0]=4 12859 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CC3 62a_100011291633_100000764125 [0,0,0,1,0,1|1,1,0]=4 12860 B18R3.228675 c1ccc2nc(ncc2c1)COCC3CC3 34a_100000211283_100009868571 [0,0,0,1,0,1|2,0,0]=4 12861 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 207a_100000735609_100000750898 [0,0,0,1,0,1|2,0,0]=4 12862 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 269862a_100000742225_100000741477 [0,0,0,1,0,1|2,0,0]=4 12863 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 270004a_100000735609_100000750898 [0,0,0,1,0,1|2,0,0]=4 12864 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 34a_100000742225_100000742324 [0,0,0,1,0,1|2,0,0]=4 12865 B18R3.228675 c1ccc2ncc(cc2c1)COCC3CC3 34a_100011258773_100000742324 [0,0,0,1,0,1|1,0,0]=3 12866 B18R3.228675 c1ccc2ncc(cc2c1)COCC3CO3 34a_100011258773_102125554688 [0,0,0,1,0,1|2,0,0]=4 12867 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CC3 34a_100011934006_100000694398 [0,0,0,1,0,1|1,0,0]=3 12868 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CC3 7a_100011934006_100000764125 [0,0,0,1,0,1|1,0,0]=3 12869 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CO3 34a_100011934006_100000732470 [0,0,0,1,0,1|2,0,0]=4 12870 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CO3 7a_100011934006_100000732470 [0,0,0,1,0,1|2,0,0]=4 12871 B18R3.228675 c1ccc2ncc(cc2c1)SCCC3CC3 62a_100000764125_100000737414 [0,0,0,1,0,1|1,1,0]=4 12872 B18R3.228675 c1cnc2cc(ccc2c1)CNCC3CC3 207a_100000735609_100011784159 [0,0,0,1,0,1|2,0,0]=4 12873 B18R3.228675 c1cnc2cc(ccc2c1)CNCC3CC3 270004a_100000735609_100011784159 [0,0,0,1,0,1|2,0,0]=4 12874 B18R3.228675 c1cnc2cc(ccc2c1)NCCC3CC3 34a_100102887122_100000694398 [0,0,0,1,0,1|2,0,0]=4 12875 B18R3.228675 c1cnc2cc(ccc2c1)OCCC3CC3 34a_100011216045_100000694398 [0,0,0,1,0,1|1,0,0]=3 12876 B18R3.228675 c1cnc2cc(ccc2c1)OCCC3CO3 34a_100011216045_100000732470 [0,0,0,1,0,1|2,0,0]=4 12877 B18R3.228675 c1cnc2cc(ccc2c1)SCCC3CC3 62a_100000764125_100009816655 [0,0,0,1,0,1|1,1,0]=4 12878 B18R3.228675 c1cnc2cc(ccc2n1)OCCC3CC3 34a_100000694412_100000694398 [0,0,0,1,0,1|2,0,0]=4 12879 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 207a_100000735609_100000211315 [0,0,0,1,0,1|2,0,0]=4 12880 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 2230a_100000735609_100000703657 [0,0,0,1,0,1|2,0,0]=4 12881 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 269862a_100000238500_100000741477 [0,0,0,1,0,1|2,0,0]=4 12882 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 270004a_100000735609_100000211315 [0,0,0,1,0,1|2,0,0]=4 12883 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 34a_100000238500_100000742324 [0,0,0,1,0,1|2,0,0]=4 12884 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 34a_100000735609_100000703657 [0,0,0,1,0,1|2,0,0]=4 12885 B18R3.228675 c1cnc2ccc(cc2c1)COCC3CC3 34a_100000211283_100000703657 [0,0,0,1,0,1|1,0,0]=3 12886 B18R3.228675 c1cnc2ccc(cc2c1)COCC3CC3 34a_100011315636_100000742324 [0,0,0,1,0,1|1,0,0]=3 12887 B18R3.228675 c1cnc2ccc(cc2c1)COCC3CO3 34a_100011315636_102125554688 [0,0,0,1,0,1|2,0,0]=4 12888 B18R3.228675 c1cnc2ccc(cc2c1)COC[C@@H]3CO3 34a_100000757423_100000703657 [0,0,0,1,0,1|2,0,0]=4 12889 B18R3.228675 c1cnc2ccc(cc2c1)CSCC3CC3 62a_100000703657_100000742324 [0,0,0,1,0,1|1,1,0]=4 12890 B18R3.228675 c1cnc2ccc(cc2c1)CSCC3CC3 62a_100000756562_100000703657 [0,0,0,1,0,1|1,1,0]=4 12891 B18R3.228675 c1cnc2ccc(cc2c1)NCCC3CC3 34a_100011198106_100000694398 [0,0,0,1,0,1|2,0,0]=4 12892 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CC3 34a_100011215586_100000694398 [0,0,0,1,0,1|1,0,0]=3 12893 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CC3 7a_100011215586_100000764125 [0,0,0,1,0,1|1,0,0]=3 12894 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CO3 34a_100011215586_100000732470 [0,0,0,1,0,1|2,0,0]=4 12895 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CO3 7a_100011215586_100000732470 [0,0,0,1,0,1|2,0,0]=4 12896 B18R3.228675 c1cnc2ccc(cc2c1)SCCC3CC3 62a_100000764125_100011215947 [0,0,0,1,0,1|1,1,0]=4 12897 B18R3.228675 c1cnc2ccc(cc2c1)SCCC3CC3 62a_100011215947_100000764125 [0,0,0,1,0,1|1,1,0]=4 12898 B18R3.1298 CCC1CN(C1)c2ccc3ccccc3n2 27a_100015205115_100011291633 [0,1,0,1,0,0|2,0,0]=4 12899 B18R3.1298 COC1CN(C1)c2ccc3ccccc3n2 27a_100000755009_100011291633 [0,1,0,1,0,0|2,0,0]=4 12900 B18R3.1298 CSC1CN(C1)c2ccc3ccccc3n2 27a_100016990038_100011291633 [0,1,0,1,0,0|2,0,0]=4 12901 B18R3.1298 FCC1CN(C1)c2ccc3ccccc3n2 27a_100010363649_100011291633 [0,1,0,1,0,0|2,0,0]=4 12902 B18R3.1298 OCC1CN(C1)c2ccc3ccccc3n2 27a_100016987283_100011291633 [0,1,0,1,0,0|2,0,0]=4 12903 B18R3.4026 CC1CCN1Cc2ccc3ccccc3c2 269982a_100000755817_100011216711 [0,1,0,1,0,0|2,0,0]=4 12904 B18R3.4026 CC1CCN1Cc2ccc3ccccc3c2 34a_100000755817_100011216711 [0,1,0,1,0,0|2,0,0]=4 12905 B18R3.4026 O=C1CCC1Oc2ccc3ccccc3c2 34a_100000185828_100009892977 [0,1,0,1,0,0|1,0,1]=4 12906 B18R3.4026 O=C1CCC1Oc2ccc3ccccc3c2 7a_100000185828_100009892977 [0,1,0,1,0,0|1,0,1]=4 12907 B18R3.228676 c1cc2cc(ccc2cn1)NCC3CCC3 34a_100000039641_100000763275 [0,1,0,1,0,0|2,0,0]=4 12908 B18R3.228676 c1cc2cc(ccc2cn1)NCC3CCO3 34a_100000039641_100000103362 [0,1,0,1,0,0|2,0,0]=4 12909 B18R3.228676 c1cc2cc(ccc2cn1)NCC3COC3 34a_100000039641_100010264016 [0,1,0,1,0,0|2,0,0]=4 12910 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCC3 34a_100000046372_100000763275 [0,1,0,1,0,0|1,0,0]=3 12911 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCC3 7a_100000046372_100000763275 [0,1,0,1,0,0|1,0,0]=3 12912 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCO3 34a_100000046372_100000103362 [0,1,0,1,0,0|1,0,0]=3 12913 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCO3 7a_100000046372_100000103362 [0,1,0,1,0,0|1,0,0]=3 12914 B18R3.228676 c1cc2cc(ccc2cn1)OCC3COC3 34a_100000046372_100010264016 [0,1,0,1,0,0|1,0,0]=3 12915 B18R3.228676 c1cc2cc(ccc2cn1)OCC3COC3 7a_100000046372_100010264016 [0,1,0,1,0,0|1,0,0]=3 12916 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCC3 62a_100000763275_100009816743 [0,1,0,1,0,0|1,1,0]=4 12917 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCC3 62a_100009816743_100000763275 [0,1,0,1,0,0|1,1,0]=4 12918 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCO3 62a_100000103362_100009816743 [0,1,0,1,0,0|1,1,0]=4 12919 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCO3 62a_100009816743_100000103362 [0,1,0,1,0,0|1,1,0]=4 12920 B18R3.228676 c1cc2cc(ccc2cn1)SCC3COC3 62a_100009816743_100010264016 [0,1,0,1,0,0|1,1,0]=4 12921 B18R3.228676 c1cc2cc(ccc2cn1)SCC3COC3 62a_100010264016_100009816743 [0,1,0,1,0,0|1,1,0]=4 12922 B18R3.228676 c1cc2ccc(cc2cn1)OCC3CCC3 7a_100000752006_100000763275 [0,1,0,1,0,0|1,0,0]=3 12923 B18R3.228676 c1cc2ccc(cc2cn1)OCC3CCO3 7a_100000752006_100000103362 [0,1,0,1,0,0|1,0,0]=3 12924 B18R3.228676 c1cc2ccc(cc2cn1)OCC3COC3 7a_100000752006_100010264016 [0,1,0,1,0,0|1,0,0]=3 12925 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCC3 62a_100000686496_100000763275 [0,1,0,1,0,0|1,1,0]=4 12926 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCC3 62a_100000763275_100000686496 [0,1,0,1,0,0|1,1,0]=4 12927 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCO3 62a_100000103362_100000686496 [0,1,0,1,0,0|1,1,0]=4 12928 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCO3 62a_100000686496_100000103362 [0,1,0,1,0,0|1,1,0]=4 12929 B18R3.228676 c1cc2ccc(cc2cn1)SCC3COC3 62a_100000686496_100010264016 [0,1,0,1,0,0|1,1,0]=4 12930 B18R3.228676 c1cc2ccc(cc2cn1)SCC3COC3 62a_100010264016_100000686496 [0,1,0,1,0,0|1,1,0]=4 12931 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 2230a_100000749019_100011216711 [0,1,0,1,0,0|2,0,0]=4 12932 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 270004a_100000739491_100000241760 [0,1,0,1,0,0|2,0,0]=4 12933 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 34a_100000739491_100000749161 [0,1,0,1,0,0|2,0,0]=4 12934 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 34a_100000749019_100011216711 [0,1,0,1,0,0|2,0,0]=4 12935 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 207a_100016991112_100000211584 [0,1,0,1,0,0|2,0,0]=4 12936 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 2230a_100016991112_100011216711 [0,1,0,1,0,0|2,0,0]=4 12937 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 270004a_100016991112_100000211584 [0,1,0,1,0,0|2,0,0]=4 12938 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 34a_100000739491_100009818527 [0,1,0,1,0,0|2,0,0]=4 12939 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CSC3 207a_100016994217_100000211584 [0,1,0,1,0,0|2,0,0]=4 12940 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CSC3 270004a_100016994217_100000211584 [0,1,0,1,0,0|2,0,0]=4 12941 B18R3.228676 c1ccc2cc(ccc2c1)COC3CCC3 34a_100000748187_100011216711 [0,1,0,1,0,0|2,0,0]=4 12942 B18R3.228676 c1ccc2cc(ccc2c1)COC3CCC3 34a_100011215330_100000749161 [0,1,0,1,0,0|2,0,0]=4 12943 B18R3.228676 c1ccc2cc(ccc2c1)COC3COC3 34a_100011215330_100009818527 [0,1,0,1,0,0|2,0,0]=4 12944 B18R3.228676 c1ccc2cc(ccc2c1)COC3COC3 7a_100011215330_100009818527 [0,1,0,1,0,0|2,0,0]=4 12945 B18R3.228676 c1ccc2cc(ccc2c1)COC3CSC3 7a_100000072292_100011216711 [0,1,0,1,0,0|2,0,0]=4 12946 B18R3.228676 c1ccc2cc(ccc2c1)CSC3CCC3 62a_100011216711_100000749161 [0,1,0,1,0,0|2,0,0]=4 12947 B18R3.228676 c1ccc2cc(ccc2c1)CSC3COC3 62a_100011216711_100009818527 [0,1,0,1,0,0|2,0,0]=4 12948 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCC3 34a_100000211940_100000763275 [0,1,0,1,0,0|1,0,0]=3 12949 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCC3 7a_100000211940_100000763275 [0,1,0,1,0,0|1,0,0]=3 12950 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCO3 34a_100000211940_100000103362 [0,1,0,1,0,0|1,0,0]=3 12951 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCO3 7a_100000211940_100000103362 [0,1,0,1,0,0|1,0,0]=3 12952 B18R3.228676 c1ccc2cc(ccc2c1)NCC3COC3 34a_100000211940_100010264016 [0,1,0,1,0,0|1,0,0]=3 12953 B18R3.228676 c1ccc2cc(ccc2c1)NCC3COC3 7a_100000211940_100010264016 [0,1,0,1,0,0|1,0,0]=3 12954 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCC3 34a_100000185828_100000763275 [0,1,0,1,0,0|0,0,0]=2 12955 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCC3 7a_100000185828_100000763275 [0,1,0,1,0,0|0,0,0]=2 12956 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCO3 34a_100000185828_100000103362 [0,1,0,1,0,0|0,0,0]=2 12957 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCO3 7a_100000185828_100000103362 [0,1,0,1,0,0|0,0,0]=2 12958 B18R3.228676 c1ccc2cc(ccc2c1)OCC3COC3 34a_100000185828_100010264016 [0,1,0,1,0,0|0,0,0]=2 12959 B18R3.228676 c1ccc2cc(ccc2c1)OCC3COC3 7a_100000185828_100010264016 [0,1,0,1,0,0|0,0,0]=2 12960 B18R3.228676 c1ccc2cc(ccc2c1)SCC3CCC3 62a_100000763275_100000233703 [0,1,0,1,0,0|0,1,0]=3 12961 B18R3.228676 c1ccc2cc(ccc2c1)SCC3CCO3 62a_100000103362_100000233703 [0,1,0,1,0,0|0,1,0]=3 12962 B18R3.228676 c1ccc2cc(ccc2c1)SCC3COC3 62a_100010264016_100000233703 [0,1,0,1,0,0|0,1,0]=3 12963 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCC3 62a_100000763275_100000047361 [0,1,0,1,0,0|1,1,0]=4 12964 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCC3 62a_100009816522_100000763275 [0,1,0,1,0,0|1,1,0]=4 12965 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCO3 62a_100000103362_100000047361 [0,1,0,1,0,0|1,1,0]=4 12966 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCO3 62a_100009816522_100000103362 [0,1,0,1,0,0|1,1,0]=4 12967 B18R3.228676 c1ccc2cc(ncc2c1)SCC3COC3 62a_100009816522_100010264016 [0,1,0,1,0,0|1,1,0]=4 12968 B18R3.228676 c1ccc2cc(ncc2c1)SCC3COC3 62a_100010264016_100000047361 [0,1,0,1,0,0|1,1,0]=4 12969 B18R3.228676 c1ccc2nc(ccc2c1)NCC3CCC3 27a_100000738700_100011291633 [0,1,0,1,0,0|2,0,0]=4 12970 B18R3.228676 c1ccc2nc(ccc2c1)NCC3COC3 27a_100015281925_100011291633 [0,1,0,1,0,0|2,0,0]=4 12971 B18R3.228676 c1ccc2nc(ccc2c1)NC[C@@H]3CCO3 27a_100020831831_100011291633 [0,1,0,1,0,0|2,0,0]=4 12972 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCC3 62a_100000763275_100011291633 [0,1,0,1,0,0|1,1,0]=4 12973 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCC3 62a_100011291633_100000763275 [0,1,0,1,0,0|1,1,0]=4 12974 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCO3 62a_100000103362_100011291633 [0,1,0,1,0,0|1,1,0]=4 12975 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCO3 62a_100011291633_100000103362 [0,1,0,1,0,0|1,1,0]=4 12976 B18R3.228676 c1ccc2nc(ccc2c1)SCC3COC3 62a_100010264016_100011291633 [0,1,0,1,0,0|1,1,0]=4 12977 B18R3.228676 c1ccc2nc(ccc2c1)SCC3COC3 62a_100011291633_100010264016 [0,1,0,1,0,0|1,1,0]=4 12978 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCC3 34a_100011934006_100000763275 [0,1,0,1,0,0|1,0,0]=3 12979 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCC3 7a_100011934006_100000763275 [0,1,0,1,0,0|1,0,0]=3 12980 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCO3 34a_100011934006_100000103362 [0,1,0,1,0,0|1,0,0]=3 12981 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCO3 7a_100011934006_100000103362 [0,1,0,1,0,0|1,0,0]=3 12982 B18R3.228676 c1ccc2ncc(cc2c1)OCC3COC3 34a_100011934006_100010264016 [0,1,0,1,0,0|1,0,0]=3 12983 B18R3.228676 c1ccc2ncc(cc2c1)OCC3COC3 7a_100011934006_100010264016 [0,1,0,1,0,0|1,0,0]=3 12984 B18R3.228676 c1ccc2ncc(cc2c1)SCC3CCC3 62a_100000763275_100000737414 [0,1,0,1,0,0|1,1,0]=4 12985 B18R3.228676 c1ccc2ncc(cc2c1)SCC3CCO3 62a_100000103362_100000737414 [0,1,0,1,0,0|1,1,0]=4 12986 B18R3.228676 c1ccc2ncc(cc2c1)SCC3COC3 62a_100010264016_100000737414 [0,1,0,1,0,0|1,1,0]=4 12987 B18R3.228676 c1cnc2cc(ccc2c1)NCC3CCC3 34a_100102887122_100000763275 [0,1,0,1,0,0|2,0,0]=4 12988 B18R3.228676 c1cnc2cc(ccc2c1)NCC3CCO3 34a_100102887122_100000103362 [0,1,0,1,0,0|2,0,0]=4 12989 B18R3.228676 c1cnc2cc(ccc2c1)NCC3COC3 34a_100102887122_100010264016 [0,1,0,1,0,0|2,0,0]=4 12990 B18R3.228676 c1cnc2cc(ccc2c1)OCC3CCC3 34a_100011216045_100000763275 [0,1,0,1,0,0|1,0,0]=3 12991 B18R3.228676 c1cnc2cc(ccc2c1)OCC3CCO3 34a_100011216045_100000103362 [0,1,0,1,0,0|1,0,0]=3 12992 B18R3.228676 c1cnc2cc(ccc2c1)OCC3COC3 34a_100011216045_100010264016 [0,1,0,1,0,0|1,0,0]=3 12993 B18R3.228676 c1cnc2cc(ccc2c1)SCC3CCC3 62a_100000763275_100009816655 [0,1,0,1,0,0|1,1,0]=4 12994 B18R3.228676 c1cnc2cc(ccc2c1)SCC3CCO3 62a_100000103362_100009816655 [0,1,0,1,0,0|1,1,0]=4 12995 B18R3.228676 c1cnc2cc(ccc2c1)SCC3COC3 62a_100010264016_100009816655 [0,1,0,1,0,0|1,1,0]=4 12996 B18R3.228676 c1cnc2cc(ccc2n1)OCC3CCC3 34a_100000694412_100000763275 [0,1,0,1,0,0|2,0,0]=4 12997 B18R3.228676 c1cnc2cc(ccc2n1)OCC3CCO3 34a_100000694412_100000103362 [0,1,0,1,0,0|2,0,0]=4 12998 B18R3.228676 c1cnc2cc(ccc2n1)OCC3COC3 34a_100000694412_100010264016 [0,1,0,1,0,0|2,0,0]=4 12999 B18R3.228676 c1cnc2ccc(cc2c1)NCC3CCC3 34a_100011198106_100000763275 [0,1,0,1,0,0|2,0,0]=4 13000 B18R3.228676 c1cnc2ccc(cc2c1)NCC3CCO3 34a_100011198106_100000103362 [0,1,0,1,0,0|2,0,0]=4 13001 B18R3.228676 c1cnc2ccc(cc2c1)NCC3COC3 34a_100011198106_100010264016 [0,1,0,1,0,0|2,0,0]=4 13002 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCC3 34a_100011215586_100000763275 [0,1,0,1,0,0|1,0,0]=3 13003 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCC3 7a_100011215586_100000763275 [0,1,0,1,0,0|1,0,0]=3 13004 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCO3 34a_100011215586_100000103362 [0,1,0,1,0,0|1,0,0]=3 13005 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCO3 7a_100011215586_100000103362 [0,1,0,1,0,0|1,0,0]=3 13006 B18R3.228676 c1cnc2ccc(cc2c1)OCC3COC3 34a_100011215586_100010264016 [0,1,0,1,0,0|1,0,0]=3 13007 B18R3.228676 c1cnc2ccc(cc2c1)OCC3COC3 7a_100011215586_100010264016 [0,1,0,1,0,0|1,0,0]=3 13008 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCC3 62a_100000763275_100011215947 [0,1,0,1,0,0|1,1,0]=4 13009 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCC3 62a_100011215947_100000763275 [0,1,0,1,0,0|1,1,0]=4 13010 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCO3 62a_100000103362_100011215947 [0,1,0,1,0,0|1,1,0]=4 13011 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCO3 62a_100011215947_100000103362 [0,1,0,1,0,0|1,1,0]=4 13012 B18R3.228676 c1cnc2ccc(cc2c1)SCC3COC3 62a_100010264016_100011215947 [0,1,0,1,0,0|1,1,0]=4 13013 B18R3.228676 c1cnc2ccc(cc2c1)SCC3COC3 62a_100011215947_100010264016 [0,1,0,1,0,0|1,1,0]=4 13014 B18R3.449352 CC1(CC1)CNc2ccc3ccccc3n2 27a_100000766693_100011291633 [0,1,0,1,0,0|2,0,0]=4 13015 B18R3.449352 CC1(CC1)NCc2ccc3ccccc3c2 207a_100000757604_100000211584 [0,1,0,1,0,0|2,0,0]=4 13016 B18R3.449352 CC1(CC1)NCc2ccc3ccccc3c2 2230a_100000757604_100011216711 [0,1,0,1,0,0|2,0,0]=4 13017 B18R3.449352 CC1(CC1)OCc2ccc3ccccc3c2 7a_100011725673_100011216711 [0,1,0,1,0,0|2,0,0]=4 13018 B18R3.449352 CC1(CO1)CNc2ccc3ccccc3c2 34a_100000211940_100000760498 [0,1,0,1,0,0|1,0,0]=3 13019 B18R3.449352 CC1(CO1)CNc2ccc3cccnc3c2 34a_100102887122_100000760498 [0,1,0,1,0,0|2,0,0]=4 13020 B18R3.449352 CC1(CO1)CNc2ccc3cnccc3c2 34a_100000039641_100000760498 [0,1,0,1,0,0|2,0,0]=4 13021 B18R3.449352 CC1(CO1)CNc2ccc3ncccc3c2 34a_100011198106_100000760498 [0,1,0,1,0,0|2,0,0]=4 13022 B18R3.449352 CC1(CO1)COc2ccc3ccccc3c2 34a_100000185828_100000760498 [0,1,0,1,0,0|0,0,0]=2 13023 B18R3.449352 CC1(CO1)COc2ccc3cccnc3c2 34a_100011216045_100000760498 [0,1,0,1,0,0|1,0,0]=3 13024 B18R3.449352 CC1(CO1)COc2ccc3cnccc3c2 34a_100000046372_100000760498 [0,1,0,1,0,0|1,0,0]=3 13025 B18R3.449352 CC1(CO1)COc2ccc3ncccc3c2 34a_100011215586_100000760498 [0,1,0,1,0,0|1,0,0]=3 13026 B18R3.449352 CC1(CO1)COc2ccc3nccnc3c2 34a_100000694412_100000760498 [0,1,0,1,0,0|2,0,0]=4 13027 B18R3.449352 CC1(CO1)COc2cnc3ccccc3c2 34a_100011934006_100000760498 [0,1,0,1,0,0|1,0,0]=3 13028 B18R3.449352 CC1(CO1)CSc2cc3ccccc3cn2 62a_100000760498_100000047361 [0,1,0,1,0,0|1,1,0]=4 13029 B18R3.449352 CC1(CO1)CSc2cc3ccccc3cn2 62a_100009816522_100000760498 [0,1,0,1,0,0|1,1,0]=4 13030 B18R3.449352 CC1(CO1)CSc2ccc3ccccc3c2 62a_100000760498_100000233703 [0,1,0,1,0,0|0,1,0]=3 13031 B18R3.449352 CC1(CO1)CSc2ccc3ccccc3n2 62a_100000760498_100011291633 [0,1,0,1,0,0|1,1,0]=4 13032 B18R3.449352 CC1(CO1)CSc2ccc3ccccc3n2 62a_100011291633_100000760498 [0,1,0,1,0,0|1,1,0]=4 13033 B18R3.449352 CC1(CO1)CSc2ccc3cccnc3c2 62a_100000760498_100009816655 [0,1,0,1,0,0|1,1,0]=4 13034 B18R3.449352 CC1(CO1)CSc2ccc3ccncc3c2 62a_100000686496_100000760498 [0,1,0,1,0,0|1,1,0]=4 13035 B18R3.449352 CC1(CO1)CSc2ccc3ccncc3c2 62a_100000760498_100000686496 [0,1,0,1,0,0|1,1,0]=4 13036 B18R3.449352 CC1(CO1)CSc2ccc3cnccc3c2 62a_100000760498_100009816743 [0,1,0,1,0,0|1,1,0]=4 13037 B18R3.449352 CC1(CO1)CSc2ccc3cnccc3c2 62a_100009816743_100000760498 [0,1,0,1,0,0|1,1,0]=4 13038 B18R3.449352 CC1(CO1)CSc2ccc3ncccc3c2 62a_100000760498_100011215947 [0,1,0,1,0,0|1,1,0]=4 13039 B18R3.449352 CC1(CO1)CSc2ccc3ncccc3c2 62a_100011215947_100000760498 [0,1,0,1,0,0|1,1,0]=4 13040 B18R3.449352 CC1(CO1)CSc2cnc3ccccc3c2 62a_100000760498_100000737414 [0,1,0,1,0,0|1,1,0]=4 13041 B18R3.449352 OC1(CC1)CNc2ccc3ccccc3n2 27a_100011936951_100011291633 [0,1,0,1,0,0|2,0,0]=4 13042 B18R3.6186 Brc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_200010169544 [0,1,0,1,0,0|1,0,1]=4 13043 B18R3.6186 Brc1cc2ccccc2cc1NCC3CC3 34a_100009991566_100000742324 [0,1,0,1,0,0|1,0,0]=3 13044 B18R3.6186 Brc1cc2ccccc2cc1NCC3CC3 7a_100009991566_100000742324 [0,1,0,1,0,0|1,0,0]=3 13045 B18R3.6186 Brc1cc2ccccc2cc1NCC3CO3 34a_100009991566_102125554688 [0,1,0,1,0,0|2,0,0]=4 13046 B18R3.6186 Brc1cc2ccccc2cc1NCC3CO3 7a_100009991566_102125554688 [0,1,0,1,0,0|2,0,0]=4 13047 B18R3.6186 Brc1cc2ccccc2cc1NCC3CS3 7a_100009991566_100000031435 [0,1,0,1,0,0|2,0,0]=4 13048 B18R3.6186 Brc1cc2ccccc2cc1NC[C@@H]3CO3 7a_100009991566_100000745022 [0,1,0,1,0,0|2,0,0]=4 13049 B18R3.6186 Brc1cc2ccccc2cc1OCC3CC3 34a_100009817189_100000742324 [0,1,0,1,0,0|0,0,0]=2 13050 B18R3.6186 Brc1cc2ccccc2cc1OCC3CC3 7a_100009817189_100000742324 [0,1,0,1,0,0|0,0,0]=2 13051 B18R3.6186 Brc1cc2ccccc2cc1OCC3CO3 34a_100009817189_102125554688 [0,1,0,1,0,0|1,0,0]=3 13052 B18R3.6186 Brc1cc2ccccc2cc1OCC3CO3 7a_100009817189_102125554688 [0,1,0,1,0,0|1,0,0]=3 13053 B18R3.6186 Brc1cc2ccccc2cc1OCC3CS3 7a_100009817189_100000031435 [0,1,0,1,0,0|1,0,0]=3 13054 B18R3.6186 Brc1cc2ccccc2cc1OC[C@@H]3CO3 7a_100009817189_100000745022 [0,1,0,1,0,0|1,0,0]=3 13055 B18R3.6186 Brc1cc2ccccc2cc1SCC3CO3 62a_102125554688_200010169544 [0,1,0,1,0,0|1,1,0]=4 13056 B18R3.6186 Brc1cc2ccccc2cc1SCC3CO3 62a_200010169544_102125554688 [0,1,0,1,0,0|1,1,0]=4 13057 B18R3.6186 Brc1cc2ccccc2cc1SCC3CS3 62a_100000031435_200010169544 [0,1,0,1,0,0|1,1,0]=4 13058 B18R3.6186 Brc1cc2ccccc2cc1SCC3CS3 62a_200010169544_100000031435 [0,1,0,1,0,0|1,1,0]=4 13059 B18R3.6186 Brc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_200010169544 [0,1,0,1,0,0|1,1,0]=4 13060 B18R3.6186 Brc1cc2ccccc2cc1SC[C@@H]3CO3 62a_200010169544_100000745022 [0,1,0,1,0,0|1,1,0]=4 13061 B18R3.6186 Brc1cc2ccccc2nc1SCC3CC3 62a_100000756562_100010072790 [0,1,0,1,0,0|1,1,0]=4 13062 B18R3.6186 Brc1cc2ccccc2nc1SCC3CC3 62a_100010072790_100000742324 [0,1,0,1,0,0|1,1,0]=4 13063 B18R3.6186 Brc1cc2ncccc2cc1OCC3CC3 34a_200010153759_100000742324 [0,1,0,1,0,0|1,0,0]=3 13064 B18R3.6186 Brc1cc2ncccc2cc1OCC3CC3 7a_200010153759_100000742324 [0,1,0,1,0,0|1,0,0]=3 13065 B18R3.6186 Brc1cc2ncccc2cc1OCC3CO3 34a_200010153759_102125554688 [0,1,0,1,0,0|2,0,0]=4 13066 B18R3.6186 Brc1cc2ncccc2cc1OCC3CO3 7a_200010153759_102125554688 [0,1,0,1,0,0|2,0,0]=4 13067 B18R3.6186 Brc1cc2ncccc2cc1OCC3CS3 7a_200010153759_100000031435 [0,1,0,1,0,0|2,0,0]=4 13068 B18R3.6186 Brc1cc2ncccc2cc1OC[C@@H]3CO3 7a_200010153759_100000745022 [0,1,0,1,0,0|2,0,0]=4 13069 B18R3.6186 Cc1cc2ccccc2cc1OCC3CC3 34a_100000091601_100000742324 [0,1,0,1,0,0|0,0,0]=2 13070 B18R3.6186 Cc1cc2ccccc2cc1OCC3CC3 7a_100000091601_100000742324 [0,1,0,1,0,0|0,0,0]=2 13071 B18R3.6186 Cc1cc2ccccc2cc1OCC3CO3 34a_100000091601_102125554688 [0,1,0,1,0,0|1,0,0]=3 13072 B18R3.6186 Cc1cc2ccccc2cc1OCC3CO3 7a_100000091601_102125554688 [0,1,0,1,0,0|1,0,0]=3 13073 B18R3.6186 Cc1cc2ccccc2cc1OCC3CS3 7a_100000091601_100000031435 [0,1,0,1,0,0|1,0,0]=3 13074 B18R3.6186 Cc1cc2ccccc2cc1OC[C@@H]3CO3 7a_100000091601_100000745022 [0,1,0,1,0,0|1,0,0]=3 13075 B18R3.6186 Cc1cc2ccccc2nc1NCC3CC3 27a_100000735609_100000751756 [0,1,0,1,0,0|2,0,0]=4 13076 B18R3.6186 Cc1cc2ccccc2nc1SCC3CC3 62a_100000756562_100000751756 [0,1,0,1,0,0|1,1,0]=4 13077 B18R3.6186 Cc1cc2ncccc2cc1SCC3CC3 62a_100000756562_100010137429 [0,1,0,1,0,0|1,1,0]=4 13078 B18R3.6186 Cc1cc2ncccc2cc1SCC3CC3 62a_100010137429_100000742324 [0,1,0,1,0,0|1,1,0]=4 13079 B18R3.6186 Cc1nc2ccccc2cc1OCC3CC3 34a_200000079175_100000742324 [0,1,0,1,0,0|1,0,0]=3 13080 B18R3.6186 Cc1nc2ccccc2cc1OCC3CC3 7a_200000079175_100000742324 [0,1,0,1,0,0|1,0,0]=3 13081 B18R3.6186 Cc1nc2ccccc2cc1OCC3CO3 34a_200000079175_102125554688 [0,1,0,1,0,0|2,0,0]=4 13082 B18R3.6186 Cc1nc2ccccc2cc1OCC3CO3 7a_200000079175_102125554688 [0,1,0,1,0,0|2,0,0]=4 13083 B18R3.6186 Cc1nc2ccccc2cc1OCC3CS3 7a_200000079175_100000031435 [0,1,0,1,0,0|2,0,0]=4 13084 B18R3.6186 Cc1nc2ccccc2cc1OC[C@@H]3CO3 7a_200000079175_100000745022 [0,1,0,1,0,0|2,0,0]=4 13085 B18R3.6186 Clc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_100010152806 [0,1,0,1,0,0|1,0,1]=4 13086 B18R3.6186 Clc1cc2ccccc2cc1C=CC3CC3 271570a_100102526188_100010152806 [0,1,0,1,0,0|1,0,1]=4 13087 B18R3.6186 Clc1cc2ccccc2cc1SCC3CO3 62a_100010152806_102125554688 [0,1,0,1,0,0|1,1,0]=4 13088 B18R3.6186 Clc1cc2ccccc2cc1SCC3CO3 62a_102125554688_100010152806 [0,1,0,1,0,0|1,1,0]=4 13089 B18R3.6186 Clc1cc2ccccc2cc1SCC3CS3 62a_100000031435_100010152806 [0,1,0,1,0,0|1,1,0]=4 13090 B18R3.6186 Clc1cc2ccccc2cc1SCC3CS3 62a_100010152806_100000031435 [0,1,0,1,0,0|1,1,0]=4 13091 B18R3.6186 Clc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_100010152806 [0,1,0,1,0,0|1,1,0]=4 13092 B18R3.6186 Clc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100010152806_100000745022 [0,1,0,1,0,0|1,1,0]=4 13093 B18R3.6186 Clc1nc2ccccc2cc1OCC3CC3 34a_200000100762_100000742324 [0,1,0,1,0,0|1,0,0]=3 13094 B18R3.6186 Clc1nc2ccccc2cc1OCC3CC3 7a_200000100762_100000742324 [0,1,0,1,0,0|1,0,0]=3 13095 B18R3.6186 Clc1nc2ccccc2cc1OCC3CO3 34a_200000100762_102125554688 [0,1,0,1,0,0|2,0,0]=4 13096 B18R3.6186 Clc1nc2ccccc2cc1OCC3CO3 7a_200000100762_102125554688 [0,1,0,1,0,0|2,0,0]=4 13097 B18R3.6186 Clc1nc2ccccc2cc1OCC3CS3 7a_200000100762_100000031435 [0,1,0,1,0,0|2,0,0]=4 13098 B18R3.6186 Clc1nc2ccccc2cc1OC[C@@H]3CO3 7a_200000100762_100000745022 [0,1,0,1,0,0|2,0,0]=4 13099 B18R3.6186 Clc1nc2ccccc2cc1SCC3CC3 62a_100000756562_100010220712 [0,1,0,1,0,0|1,1,0]=4 13100 B18R3.6186 Fc1cc2ccncc2cc1SCC3CC3 62a_100000756562_100010244713 [0,1,0,1,0,0|1,1,0]=4 13101 B18R3.6186 Fc1cc2ccncc2cc1SCC3CC3 62a_100010244713_100000742324 [0,1,0,1,0,0|1,1,0]=4 13102 B18R3.6186 Fc1cc2cnccc2cc1SCC3CC3 62a_100000756562_100011105921 [0,1,0,1,0,0|1,1,0]=4 13103 B18R3.6186 Fc1cc2cnccc2cc1SCC3CC3 62a_100011105921_100000742324 [0,1,0,1,0,0|1,1,0]=4 13104 B18R3.6186 Fc1cc2ncccc2cc1SCC3CC3 62a_100000756562_100009854028 [0,1,0,1,0,0|1,1,0]=4 13105 B18R3.6186 Fc1cc2ncccc2cc1SCC3CC3 62a_100009854028_100000742324 [0,1,0,1,0,0|1,1,0]=4 13106 B18R3.6186 Fc1nc2ccccc2cc1SCC3CC3 62a_100000756562_100011158909 [0,1,0,1,0,0|1,1,0]=4 13107 B18R3.6186 Fc1nc2ccccc2cc1SCC3CC3 62a_100011158909_100000742324 [0,1,0,1,0,0|1,1,0]=4 13108 B18R3.6186 Nc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_100009991566 [0,1,0,1,0,0|1,0,1]=4 13109 B18R3.6186 Nc1cc2ccccc2cc1C=CC3CC3 271570a_100102526188_100009991566 [0,1,0,1,0,0|1,0,1]=4 13110 B18R3.6186 Nc1cc2ccccc2cc1OCC3CC3 34a_106744474703_100000742324 [0,1,0,1,0,0|0,0,0]=2 13111 B18R3.6186 Nc1cc2ccccc2cc1OCC3CC3 7a_106744474703_100000742324 [0,1,0,1,0,0|0,0,0]=2 13112 B18R3.6186 Nc1cc2ccccc2cc1OCC3CO3 34a_106744474703_102125554688 [0,1,0,1,0,0|1,0,0]=3 13113 B18R3.6186 Nc1cc2ccccc2cc1OCC3CO3 7a_106744474703_102125554688 [0,1,0,1,0,0|1,0,0]=3 13114 B18R3.6186 Nc1cc2ccccc2cc1OCC3CS3 7a_106744474703_100000031435 [0,1,0,1,0,0|1,0,0]=3 13115 B18R3.6186 Nc1cc2ccccc2cc1OC[C@@H]3CO3 7a_106744474703_100000745022 [0,1,0,1,0,0|1,0,0]=3 13116 B18R3.6186 Nc1cc2ccccc2cc1SCC3CC3 62a_100000756562_100009991566 [0,1,0,1,0,0|0,1,0]=3 13117 B18R3.6186 Nc1cc2ccccc2cc1SCC3CC3 62a_100009991566_100000742324 [0,1,0,1,0,0|0,1,0]=3 13118 B18R3.6186 Nc1cc2ccccc2cc1SCC3CO3 62a_100009991566_102125554688 [0,1,0,1,0,0|1,1,0]=4 13119 B18R3.6186 Nc1cc2ccccc2cc1SCC3CO3 62a_102125554688_100009991566 [0,1,0,1,0,0|1,1,0]=4 13120 B18R3.6186 Nc1cc2ccccc2cc1SCC3CS3 62a_100000031435_100009991566 [0,1,0,1,0,0|1,1,0]=4 13121 B18R3.6186 Nc1cc2ccccc2cc1SCC3CS3 62a_100009991566_100000031435 [0,1,0,1,0,0|1,1,0]=4 13122 B18R3.6186 Nc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_100009991566 [0,1,0,1,0,0|1,1,0]=4 13123 B18R3.6186 Nc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100009991566_100000745022 [0,1,0,1,0,0|1,1,0]=4 13124 B18R3.6186 Nc1nc2ccccc2cc1SCC3CC3 62a_100010135404_100000742324 [0,1,0,1,0,0|1,1,0]=4 13125 B18R3.6186 O=c1oc2ccccc2cc1OCC3CC3 7a_100000061252_100000742324 [0,1,0,1,0,0|1,0,0]=3 13126 B18R3.6186 O=c1oc2ccccc2cc1OCC3CO3 7a_100000061252_102125554688 [0,1,0,1,0,0|2,0,0]=4 13127 B18R3.6186 O=c1oc2ccccc2cc1OCC3CS3 7a_100000061252_100000031435 [0,1,0,1,0,0|2,0,0]=4 13128 B18R3.6186 O=c1oc2ccccc2cc1OC[C@@H]3CO3 7a_100000061252_100000745022 [0,1,0,1,0,0|2,0,0]=4 13129 B18R3.6186 O=c1oc2ccccc2cc1SCC3CC3 62a_100000756562_200000187772 [0,1,0,1,0,0|1,1,0]=4 13130 B18R3.6186 Oc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_100009817189 [0,1,0,1,0,0|1,0,1]=4 13131 B18R3.6186 Oc1cc2ccccc2cc1C=CC3CC3 271570a_100102526188_100009817189 [0,1,0,1,0,0|1,0,1]=4 13132 B18R3.6186 Oc1cc2ccccc2cc1SCC3CC3 62a_100000756562_100009817189 [0,1,0,1,0,0|0,1,0]=3 13133 B18R3.6186 Oc1cc2ccccc2cc1SCC3CO3 62a_102125554688_100009817189 [0,1,0,1,0,0|1,1,0]=4 13134 B18R3.6186 Oc1cc2ccccc2cc1SCC3CS3 62a_100000031435_100009817189 [0,1,0,1,0,0|1,1,0]=4 13135 B18R3.6186 Oc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_100009817189 [0,1,0,1,0,0|1,1,0]=4 13136 B18R3.6186 Oc1cc2ccccc2nc1SCC3CC3 62a_100000756562_200000100762 [0,1,0,1,0,0|1,1,0]=4 13137 B18R3.6186 Oc1cc2cccnc2cc1SCC3CC3 62a_100000756562_200010153759 [0,1,0,1,0,0|1,1,0]=4 13138 B18R3.6186 Oc1nc2ccccc2cc1SCC3CC3 62a_100000756562_200009820883 [0,1,0,1,0,0|1,1,0]=4 13139 B18R3.6898 Cc1cc2ccccc2nc1N3CC(C3)C 27a_100000702820_100000751756 [0,1,0,1,0,0|2,0,0]=4 13140 B18R3.119103 CC(Nc1ccc2ccccc2n1)C3CC3 27a_100000700016_100011291633 [0,1,0,1,0,0|2,0,0]=4 13141 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 2230a_100000196433_200000210301 [0,1,0,1,0,0|2,0,0]=4 13142 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 2230a_100000226674_100011216711 [0,1,0,1,0,0|2,0,0]=4 13143 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 269982a_100000185194_100000211595 [0,1,0,1,0,0|2,0,0]=4 13144 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 269982a_100000196433_200000210301 [0,1,0,1,0,0|2,0,0]=4 13145 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 269982a_100000226674_100011216711 [0,1,0,1,0,0|2,0,0]=4 13146 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 270004a_100000226674_100000211584 [0,1,0,1,0,0|2,0,0]=4 13147 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 34a_100000196433_200000210301 [0,1,0,1,0,0|2,0,0]=4 13148 B18R3.119103 O=C(Cc1ccc2ccccc2c1)C3CC3 1458a_100000210395_100011216711 [0,1,0,1,0,0|1,0,1]=4 13149 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 11a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 13150 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 1626a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 13151 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 22a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 13152 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 527a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 13153 B18R3.119103 [13CH3]N(Cc1ccc2ccccc2c1)C3CC3 2230a_100000196433_200025704644 [0,1,0,1,0,0|2,0,0]=4 13154 B18R3.119103 [13CH3]N(Cc1ccc2ccccc2c1)C3CC3 269982a_100000196433_200025704644 [0,1,0,1,0,0|2,0,0]=4 13155 B18R3.119103 [13CH3]N(Cc1ccc2ccccc2c1)C3CC3 34a_100000196433_200025704644 [0,1,0,1,0,0|2,0,0]=4 13156 B18R3.35149 CC1(CN(C1)c2ccc3ccccc3n2)C 27a_100000753659_100011291633 [0,1,0,1,0,0|2,0,0]=4 13157 B18R3.35149 CC1(CN(C1)c2ccc3ccccc3n2)F 27a_100000696199_100011291633 [0,1,0,1,0,0|2,0,0]=4 13158 B18R3.35149 CC1(CN(C1)c2ccc3ccccc3n2)O 27a_100000718560_100011291633 [0,1,0,1,0,0|2,0,0]=4 13159 B18R3.240205 CC(OC1CC1)c2ccc3ccccc3c2 34a_100011215343_100000211595 [0,1,0,1,0,0|2,0,0]=4 13160 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3c2 2230a_100000181211_100000742324 [0,1,0,1,0,0|1,0,0]=3 13161 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3c2 269982a_100000181211_100000756562 [0,1,0,1,0,0|1,0,0]=3 13162 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3c2 34a_100000181211_100000742324 [0,1,0,1,0,0|1,0,0]=3 13163 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3n2 27a_100000741881_100011291633 [0,1,0,1,0,0|2,0,0]=4 13164 B18R3.240205 CN(CC1CO1)c2ccc3ccccc3c2 2230a_100000181211_100011216344 [0,1,0,1,0,0|2,0,0]=4 13165 B18R3.240205 CN(CC1CO1)c2ccc3ccccc3c2 269982a_100000181211_102125554688 [0,1,0,1,0,0|2,0,0]=4 13166 B18R3.240205 CN(CC1CO1)c2ccc3ccccc3c2 34a_100000181211_102125554688 [0,1,0,1,0,0|2,0,0]=4 13167 B18R3.240205 CN(CC1CS1)c2ccc3ccccc3c2 269982a_100000181211_100000031435 [0,1,0,1,0,0|2,0,0]=4 13168 B18R3.240205 CN(C[C@@H]1CO1)c2ccc3ccccc3c2 269982a_100000181211_100000745022 [0,1,0,1,0,0|2,0,0]=4 13169 B18R3.240205 O=C(CC1CC1)c2ccc3ccccc3c2 1458a_100000210637_100000742324 [0,1,0,1,0,0|1,0,0]=3 13170 B18R3.240205 O=C(CC1CC1)c2ccc3cccnc3c2 1458a_100011933907_100000742324 [0,1,0,1,0,0|2,0,0]=4 13171 B18R3.240205 O=C(CC1CC1)c2ccc3ccncc3c2 1458a_100000070124_100000742324 [0,1,0,1,0,0|2,0,0]=4 13172 B18R3.240205 O=C(CC1CC1)c2ccc3cnccc3c2 1458a_100011935275_100000742324 [0,1,0,1,0,0|2,0,0]=4 13173 B18R3.240205 O=C(CC1CC1)c2ccc3ncccc3c2 1458a_100011216044_100000742324 [0,1,0,1,0,0|2,0,0]=4 13174 B18R3.240205 O=C(CC1CO1)c2ccc3ccccc3c2 1458a_100000210637_100011216344 [0,1,0,1,0,0|2,0,0]=4 13175 B18R3.240205 O=C(CC1CS1)c2ccc3ccccc3c2 1458a_100000210637_100000031435 [0,1,0,1,0,0|2,0,0]=4 13176 B18R3.240205 O=C(C[C@@H]1CO1)c2ccc3ccccc3c2 1458a_100000210637_100000745022 [0,1,0,1,0,0|2,0,0]=4 13177 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 1626a_100000212008_100000210637 [0,1,0,1,0,0|2,0,0]=4 13178 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 240690a_100000212008_100000210637 [0,1,0,1,0,0|2,0,0]=4 13179 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 527a_100000212008_100000210637 [0,1,0,1,0,0|2,0,0]=4 13180 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CC3 34a_100010090036_100000742324 [0,1,0,1,0,0|1,0,0]=3 13181 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CC3 7a_100010090036_100000742324 [0,1,0,1,0,0|1,0,0]=3 13182 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CO3 34a_100010090036_102125554688 [0,1,0,1,0,0|2,0,0]=4 13183 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CO3 7a_100010090036_102125554688 [0,1,0,1,0,0|2,0,0]=4 13184 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CS3 7a_100010090036_100000031435 [0,1,0,1,0,0|2,0,0]=4 13185 B18R3.32122 Brc1ccc2ccc(cc2c1)NC[C@@H]3CO3 7a_100010090036_100000745022 [0,1,0,1,0,0|2,0,0]=4 13186 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CC3 34a_100009816537_100000742324 [0,1,0,1,0,0|0,0,0]=2 13187 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CC3 7a_100009816537_100000742324 [0,1,0,1,0,0|0,0,0]=2 13188 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CO3 34a_100009816537_102125554688 [0,1,0,1,0,0|1,0,0]=3 13189 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CO3 7a_100009816537_102125554688 [0,1,0,1,0,0|1,0,0]=3 13190 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CS3 7a_100009816537_100000031435 [0,1,0,1,0,0|1,0,0]=3 13191 B18R3.32122 Brc1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100009816537_100000745022 [0,1,0,1,0,0|1,0,0]=3 13192 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CC3 34a_100000703654_100000742324 [0,1,0,1,0,0|1,0,0]=3 13193 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CC3 7a_100000703654_100000742324 [0,1,0,1,0,0|1,0,0]=3 13194 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CO3 34a_100000703654_102125554688 [0,1,0,1,0,0|2,0,0]=4 13195 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CO3 7a_100000703654_102125554688 [0,1,0,1,0,0|2,0,0]=4 13196 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CS3 7a_100000703654_100000031435 [0,1,0,1,0,0|2,0,0]=4 13197 B18R3.32122 Brc1ccc2ncc(cc2c1)OC[C@@H]3CO3 7a_100000703654_100000745022 [0,1,0,1,0,0|2,0,0]=4 13198 B18R3.32122 Brc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100010740133 [0,1,0,1,0,0|1,1,0]=4 13199 B18R3.32122 Brc1ccc2ncc(cc2c1)SCC3CC3 62a_100010740133_100000742324 [0,1,0,1,0,0|1,1,0]=4 13200 B18R3.32122 Brc1cnc2ccc(cc2c1)NCC3CC3 34a_100009888932_100000742324 [0,1,0,1,0,0|2,0,0]=4 13201 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CC3 34a_100010137430_100000742324 [0,1,0,1,0,0|1,0,0]=3 13202 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CC3 7a_100010137430_100000742324 [0,1,0,1,0,0|1,0,0]=3 13203 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CO3 34a_100010137430_102125554688 [0,1,0,1,0,0|2,0,0]=4 13204 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CO3 7a_100010137430_102125554688 [0,1,0,1,0,0|2,0,0]=4 13205 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CS3 7a_100010137430_100000031435 [0,1,0,1,0,0|2,0,0]=4 13206 B18R3.32122 Brc1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100010137430_100000745022 [0,1,0,1,0,0|2,0,0]=4 13207 B18R3.32122 Brc1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_200010254249 [0,1,0,1,0,0|1,1,0]=4 13208 B18R3.32122 Brc1cnc2ccc(cc2c1)SCC3CC3 62a_200010254249_100000742324 [0,1,0,1,0,0|1,1,0]=4 13209 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CC3 34a_100000091598_100000742324 [0,1,0,1,0,0|0,0,0]=2 13210 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CC3 7a_100000091598_100000742324 [0,1,0,1,0,0|0,0,0]=2 13211 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CO3 34a_100000091598_102125554688 [0,1,0,1,0,0|1,0,0]=3 13212 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CO3 7a_100000091598_102125554688 [0,1,0,1,0,0|1,0,0]=3 13213 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CS3 7a_100000091598_100000031435 [0,1,0,1,0,0|1,0,0]=3 13214 B18R3.32122 Cc1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100000091598_100000745022 [0,1,0,1,0,0|1,0,0]=3 13215 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CC3 34a_100009867695_100000742324 [0,1,0,1,0,0|1,0,0]=3 13216 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CC3 7a_100009867695_100000742324 [0,1,0,1,0,0|1,0,0]=3 13217 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CO3 34a_100009867695_102125554688 [0,1,0,1,0,0|2,0,0]=4 13218 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CO3 7a_100009867695_102125554688 [0,1,0,1,0,0|2,0,0]=4 13219 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CS3 7a_100009867695_100000031435 [0,1,0,1,0,0|2,0,0]=4 13220 B18R3.32122 Cc1ccc2ccc(cc2n1)OC[C@@H]3CO3 7a_100009867695_100000745022 [0,1,0,1,0,0|2,0,0]=4 13221 B18R3.32122 Cc1ccc2ccc(cc2n1)SCC3CC3 62a_100000756562_100009817087 [0,1,0,1,0,0|1,1,0]=4 13222 B18R3.32122 Cc1ccc2ccc(cc2n1)SCC3CC3 62a_100009817087_100000742324 [0,1,0,1,0,0|1,1,0]=4 13223 B18R3.32122 Cc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100015841224 [0,1,0,1,0,0|1,1,0]=4 13224 B18R3.32122 Cc1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_100009817055 [0,1,0,1,0,0|1,1,0]=4 13225 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CC3 34a_100000079174_100000742324 [0,1,0,1,0,0|1,0,0]=3 13226 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CC3 7a_100000079174_100000742324 [0,1,0,1,0,0|1,0,0]=3 13227 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CO3 34a_100000079174_102125554688 [0,1,0,1,0,0|2,0,0]=4 13228 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CO3 7a_100000079174_102125554688 [0,1,0,1,0,0|2,0,0]=4 13229 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CS3 7a_100000079174_100000031435 [0,1,0,1,0,0|2,0,0]=4 13230 B18R3.32122 Clc1ccc2ccc(cc2n1)OC[C@@H]3CO3 7a_100000079174_100000745022 [0,1,0,1,0,0|2,0,0]=4 13231 B18R3.32122 Clc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100015929906 [0,1,0,1,0,0|1,1,0]=4 13232 B18R3.32122 Clc1ccc2ncc(cc2c1)SCC3CC3 62a_100015929906_100000742324 [0,1,0,1,0,0|1,1,0]=4 13233 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CC3 34a_100009869629_100000742324 [0,1,0,1,0,0|1,0,0]=3 13234 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CC3 7a_100009869629_100000742324 [0,1,0,1,0,0|1,0,0]=3 13235 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CO3 34a_100009869629_102125554688 [0,1,0,1,0,0|2,0,0]=4 13236 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CO3 7a_100009869629_102125554688 [0,1,0,1,0,0|2,0,0]=4 13237 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CS3 7a_100009869629_100000031435 [0,1,0,1,0,0|2,0,0]=4 13238 B18R3.32122 Clc1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100009869629_100000745022 [0,1,0,1,0,0|2,0,0]=4 13239 B18R3.32122 Clc1cnc2ccc(cc2n1)OCC3CC3 34a_200020640061_100000742324 [0,1,0,1,0,0|2,0,0]=4 13240 B18R3.32122 Fc1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100010291885 [0,1,0,1,0,0|1,1,0]=4 13241 B18R3.32122 Fc1cc2cc(ccc2cn1)SCC3CC3 62a_100010291885_100000742324 [0,1,0,1,0,0|1,1,0]=4 13242 B18R3.32122 Fc1ccc2cnc(cc2c1)OCC3CC3 34a_200000101709_100000742324 [0,1,0,1,0,0|1,0,0]=3 13243 B18R3.32122 Fc1ccc2cnc(cc2c1)OCC3CO3 34a_200000101709_102125554688 [0,1,0,1,0,0|2,0,0]=4 13244 B18R3.32122 Fc1ccc2cnc(cc2c1)SCC3CC3 62a_100000756562_100009828686 [0,1,0,1,0,0|1,1,0]=4 13245 B18R3.32122 Fc1ccc2cnc(cc2c1)SCC3CC3 62a_100009828686_100000742324 [0,1,0,1,0,0|1,1,0]=4 13246 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CC3 34a_100009845357_100000742324 [0,1,0,1,0,0|1,0,0]=3 13247 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CC3 7a_100009845357_100000742324 [0,1,0,1,0,0|1,0,0]=3 13248 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CO3 34a_100009845357_102125554688 [0,1,0,1,0,0|2,0,0]=4 13249 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CO3 7a_100009845357_102125554688 [0,1,0,1,0,0|2,0,0]=4 13250 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CS3 7a_100009845357_100000031435 [0,1,0,1,0,0|2,0,0]=4 13251 B18R3.32122 Fc1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100009845357_100000745022 [0,1,0,1,0,0|2,0,0]=4 13252 B18R3.32122 Nc1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100009817123 [0,1,0,1,0,0|1,1,0]=4 13253 B18R3.32122 Nc1cc2cc(ccc2cn1)SCC3CC3 62a_100009817123_100000742324 [0,1,0,1,0,0|1,1,0]=4 13254 B18R3.32122 Nc1ccc2ccc(cc2c1)C#CC3CC3 271570a_200009880635_100010090036 [0,1,0,1,0,0|1,0,1]=4 13255 B18R3.32122 Nc1ccc2ccc(cc2c1)C=CC3CC3 271570a_100102526188_100010090036 [0,1,0,1,0,0|1,0,1]=4 13256 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CC3 34a_100015378740_100000742324 [0,1,0,1,0,0|0,0,0]=2 13257 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CC3 7a_100015378740_100000742324 [0,1,0,1,0,0|0,0,0]=2 13258 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CO3 34a_100015378740_102125554688 [0,1,0,1,0,0|1,0,0]=3 13259 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CO3 7a_100015378740_102125554688 [0,1,0,1,0,0|1,0,0]=3 13260 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CS3 7a_100015378740_100000031435 [0,1,0,1,0,0|1,0,0]=3 13261 B18R3.32122 Nc1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100015378740_100000745022 [0,1,0,1,0,0|1,0,0]=3 13262 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CC3 62a_100000756562_100010090036 [0,1,0,1,0,0|0,1,0]=3 13263 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CC3 62a_100010090036_100000742324 [0,1,0,1,0,0|0,1,0]=3 13264 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CO3 62a_100010090036_102125554688 [0,1,0,1,0,0|1,1,0]=4 13265 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CO3 62a_102125554688_100010090036 [0,1,0,1,0,0|1,1,0]=4 13266 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CS3 62a_100000031435_100010090036 [0,1,0,1,0,0|1,1,0]=4 13267 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CS3 62a_100010090036_100000031435 [0,1,0,1,0,0|1,1,0]=4 13268 B18R3.32122 Nc1ccc2ccc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100010090036 [0,1,0,1,0,0|1,1,0]=4 13269 B18R3.32122 Nc1ccc2ccc(cc2c1)SC[C@@H]3CO3 62a_100010090036_100000745022 [0,1,0,1,0,0|1,1,0]=4 13270 B18R3.32122 Nc1ccc2ccc(cc2n1)SCC3CC3 62a_100010187616_100000742324 [0,1,0,1,0,0|1,1,0]=4 13271 B18R3.32122 Nc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100009888932 [0,1,0,1,0,0|1,1,0]=4 13272 B18R3.32122 Nc1ccc2ncc(cc2c1)SCC3CC3 62a_100009888932_100000742324 [0,1,0,1,0,0|1,1,0]=4 13273 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CC3 34a_100000185914_100000742324 [0,1,0,1,0,0|1,0,0]=3 13274 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CC3 7a_100000185914_100000742324 [0,1,0,1,0,0|1,0,0]=3 13275 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CO3 34a_100000185914_102125554688 [0,1,0,1,0,0|2,0,0]=4 13276 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CO3 7a_100000185914_102125554688 [0,1,0,1,0,0|2,0,0]=4 13277 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CS3 7a_100000185914_100000031435 [0,1,0,1,0,0|2,0,0]=4 13278 B18R3.32122 O=c1ccc2ccc(cc2o1)OC[C@@H]3CO3 7a_100000185914_100000745022 [0,1,0,1,0,0|2,0,0]=4 13279 B18R3.32122 O=c1ccc2ccc(cc2o1)SCC3CC3 62a_100000756562_100009993525 [0,1,0,1,0,0|1,1,0]=4 13280 B18R3.32122 Oc1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100009817130 [0,1,0,1,0,0|1,1,0]=4 13281 B18R3.32122 Oc1ccc2ccc(cc2c1)C#CC3CC3 271570a_200009880635_100009816537 [0,1,0,1,0,0|1,0,1]=4 13282 B18R3.32122 Oc1ccc2ccc(cc2c1)C=CC3CC3 271570a_100102526188_100009816537 [0,1,0,1,0,0|1,0,1]=4 13283 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CC3 34a_100015378740_100000742324 [0,1,0,1,0,0|1,0,0]=3 13284 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CC3 7a_100015378740_100000742324 [0,1,0,1,0,0|1,0,0]=3 13285 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CO3 34a_100015378740_102125554688 [0,1,0,1,0,0|2,0,0]=4 13286 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CO3 7a_100015378740_102125554688 [0,1,0,1,0,0|2,0,0]=4 13287 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CS3 7a_100015378740_100000031435 [0,1,0,1,0,0|2,0,0]=4 13288 B18R3.32122 Oc1ccc2ccc(cc2c1)NC[C@@H]3CO3 7a_100015378740_100000745022 [0,1,0,1,0,0|2,0,0]=4 13289 B18R3.32122 Oc1ccc2ccc(cc2c1)SCC3CC3 62a_100000756562_100009816537 [0,1,0,1,0,0|0,1,0]=3 13290 B18R3.32122 Oc1ccc2ccc(cc2c1)SCC3CO3 62a_102125554688_100009816537 [0,1,0,1,0,0|1,1,0]=4 13291 B18R3.32122 Oc1ccc2ccc(cc2c1)SCC3CS3 62a_100000031435_100009816537 [0,1,0,1,0,0|1,1,0]=4 13292 B18R3.32122 Oc1ccc2ccc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100009816537 [0,1,0,1,0,0|1,1,0]=4 13293 B18R3.32122 Oc1ccc2ccc(cc2n1)SCC3CC3 62a_100000756562_100000690401 [0,1,0,1,0,0|1,1,0]=4 13294 B18R3.32122 Oc1ccc2ccc(nc2c1)SCC3CC3 62a_100000756562_100000079174 [0,1,0,1,0,0|1,1,0]=4 13295 B18R3.32122 Oc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100010137430 [0,1,0,1,0,0|1,1,0]=4 13296 B18R3.32122 Oc1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_100000703654 [0,1,0,1,0,0|1,1,0]=4 13297 B18R3.32122 [O-][n+]1ccc2ccc(cc2c1)SCC3CC3 62a_100000756562_100009816120 [0,1,0,1,0,0|1,1,0]=4 13298 B18R3.551441 CC1CN(C1)c2ccc3cc(ccc3n2)F 27a_100000702820_100011998705 [0,1,0,1,0,0|2,0,0]=4 13299 B18R3.551441 CC1CN(C1)c2ccc3cc(cnc3c2)Br 27a_100000702820_200015509644 [0,1,0,1,0,0|2,0,0]=4 13300 B18R3.551441 Cc1ccc2nc(ccc2c1)N3CC(C3)C 27a_100000702820_100011865911 [0,1,0,1,0,0|2,0,0]=4 13301 B18R3.551442 Brc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100012344972 [0,1,0,1,0,0|1,0,1]=4 13302 B18R3.551442 Brc1ccc2cc(ccc2c1)CNC3CC3 34a_100000212008_100012356510 [0,1,0,1,0,0|2,0,0]=4 13303 B18R3.551442 Brc1ccc2cc(ccc2c1)COC3CC3 34a_100012356509_100000211595 [0,1,0,1,0,0|2,0,0]=4 13304 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CC3 34a_100000185457_100000742324 [0,1,0,1,0,0|1,0,0]=3 13305 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CC3 7a_100000185457_100000742324 [0,1,0,1,0,0|1,0,0]=3 13306 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CO3 34a_100000185457_102125554688 [0,1,0,1,0,0|2,0,0]=4 13307 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CO3 7a_100000185457_102125554688 [0,1,0,1,0,0|2,0,0]=4 13308 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CS3 7a_100000185457_100000031435 [0,1,0,1,0,0|2,0,0]=4 13309 B18R3.551442 Brc1ccc2cc(ccc2c1)NC[C@@H]3CO3 7a_100000185457_100000745022 [0,1,0,1,0,0|2,0,0]=4 13310 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CC3 34a_100000185455_100000742324 [0,1,0,1,0,0|0,0,0]=2 13311 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CC3 7a_100000185455_100000742324 [0,1,0,1,0,0|0,0,0]=2 13312 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CO3 34a_100000185455_102125554688 [0,1,0,1,0,0|1,0,0]=3 13313 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CO3 7a_100000185455_102125554688 [0,1,0,1,0,0|1,0,0]=3 13314 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CS3 7a_100000185455_100000031435 [0,1,0,1,0,0|1,0,0]=3 13315 B18R3.551442 Brc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000185455_100000745022 [0,1,0,1,0,0|1,0,0]=3 13316 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CO3 62a_100012344972_102125554688 [0,1,0,1,0,0|1,1,0]=4 13317 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100012344972 [0,1,0,1,0,0|1,1,0]=4 13318 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100012344972 [0,1,0,1,0,0|1,1,0]=4 13319 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CS3 62a_100012344972_100000031435 [0,1,0,1,0,0|1,1,0]=4 13320 B18R3.551442 Brc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100012344972 [0,1,0,1,0,0|1,1,0]=4 13321 B18R3.551442 Brc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100012344972_100000745022 [0,1,0,1,0,0|1,1,0]=4 13322 B18R3.551442 Brc1cnc2cc(ccc2c1)NCC3CC3 27a_100000735609_200015509644 [0,1,0,1,0,0|2,0,0]=4 13323 B18R3.551442 Brc1cnc2cc(ccc2c1)NCC3CC3 34a_200010264087_100000742324 [0,1,0,1,0,0|2,0,0]=4 13324 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CC3 34a_200010153753_100000742324 [0,1,0,1,0,0|1,0,0]=3 13325 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CC3 7a_200010153753_100000742324 [0,1,0,1,0,0|1,0,0]=3 13326 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CO3 34a_200010153753_102125554688 [0,1,0,1,0,0|2,0,0]=4 13327 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CO3 7a_200010153753_102125554688 [0,1,0,1,0,0|2,0,0]=4 13328 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CS3 7a_200010153753_100000031435 [0,1,0,1,0,0|2,0,0]=4 13329 B18R3.551442 Brc1cnc2cc(ccc2c1)OC[C@@H]3CO3 7a_200010153753_100000745022 [0,1,0,1,0,0|2,0,0]=4 13330 B18R3.551442 Brc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_200015509644 [0,1,0,1,0,0|1,1,0]=4 13331 B18R3.551442 Brc1cnc2cc(ccc2c1)SCC3CC3 62a_200015509644_100000742324 [0,1,0,1,0,0|1,1,0]=4 13332 B18R3.551442 C[n+]1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100015191232 [0,1,0,1,0,0|1,1,0]=4 13333 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CC3 34a_100000074090_100000742324 [0,1,0,1,0,0|0,0,0]=2 13334 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CC3 7a_100000074090_100000742324 [0,1,0,1,0,0|0,0,0]=2 13335 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CO3 34a_100000074090_102125554688 [0,1,0,1,0,0|1,0,0]=3 13336 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CO3 7a_100000074090_102125554688 [0,1,0,1,0,0|1,0,0]=3 13337 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CS3 7a_100000074090_100000031435 [0,1,0,1,0,0|1,0,0]=3 13338 B18R3.551442 Cc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000074090_100000745022 [0,1,0,1,0,0|1,0,0]=3 13339 B18R3.551442 Cc1ccc2cc(ccc2n1)NCC3CC3 34a_100011216442_100000742324 [0,1,0,1,0,0|2,0,0]=4 13340 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CC3 34a_100000037634_100000742324 [0,1,0,1,0,0|1,0,0]=3 13341 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CC3 7a_100000037634_100000742324 [0,1,0,1,0,0|1,0,0]=3 13342 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CO3 34a_100000037634_102125554688 [0,1,0,1,0,0|2,0,0]=4 13343 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CO3 7a_100000037634_102125554688 [0,1,0,1,0,0|2,0,0]=4 13344 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CS3 7a_100000037634_100000031435 [0,1,0,1,0,0|2,0,0]=4 13345 B18R3.551442 Cc1ccc2cc(ccc2n1)OC[C@@H]3CO3 7a_100000037634_100000745022 [0,1,0,1,0,0|2,0,0]=4 13346 B18R3.551442 Cc1ccc2cc(ccc2n1)SCC3CC3 62a_100000686635_100000742324 [0,1,0,1,0,0|1,1,0]=4 13347 B18R3.551442 Cc1ccc2cc(ccc2n1)SCC3CC3 62a_100000756562_100000686635 [0,1,0,1,0,0|1,1,0]=4 13348 B18R3.551442 Cc1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011865911 [0,1,0,1,0,0|2,0,0]=4 13349 B18R3.551442 Cc1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011865911 [0,1,0,1,0,0|1,1,0]=4 13350 B18R3.551442 Cc1ccc2nc(ccc2c1)SCC3CC3 62a_200000181977_100000742324 [0,1,0,1,0,0|1,1,0]=4 13351 B18R3.551442 Cc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010751441 [0,1,0,1,0,0|1,1,0]=4 13352 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CC3 34a_100000074905_100000742324 [0,1,0,1,0,0|0,0,0]=2 13353 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CC3 7a_100000074905_100000742324 [0,1,0,1,0,0|0,0,0]=2 13354 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CO3 34a_100000074905_102125554688 [0,1,0,1,0,0|1,0,0]=3 13355 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CO3 7a_100000074905_102125554688 [0,1,0,1,0,0|1,0,0]=3 13356 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CS3 7a_100000074905_100000031435 [0,1,0,1,0,0|1,0,0]=3 13357 B18R3.551442 Clc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000074905_100000745022 [0,1,0,1,0,0|1,0,0]=3 13358 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CC3 34a_100009849208_100000742324 [0,1,0,1,0,0|1,0,0]=3 13359 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CC3 7a_100009849208_100000742324 [0,1,0,1,0,0|1,0,0]=3 13360 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CO3 34a_100009849208_102125554688 [0,1,0,1,0,0|2,0,0]=4 13361 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CO3 7a_100009849208_102125554688 [0,1,0,1,0,0|2,0,0]=4 13362 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CS3 7a_100009849208_100000031435 [0,1,0,1,0,0|2,0,0]=4 13363 B18R3.551442 Clc1ccc2cc(ccc2n1)OC[C@@H]3CO3 7a_100009849208_100000745022 [0,1,0,1,0,0|2,0,0]=4 13364 B18R3.551442 Clc1ccc2cc(ccc2n1)SCC3CC3 62a_100000756562_200012034268 [0,1,0,1,0,0|1,1,0]=4 13365 B18R3.551442 Clc1ccc2cc(cnc2c1)SCC3CC3 62a_100000756562_100015716233 [0,1,0,1,0,0|1,1,0]=4 13366 B18R3.551442 Clc1ccc2cc(cnc2c1)SCC3CC3 62a_100015716233_100000742324 [0,1,0,1,0,0|1,1,0]=4 13367 B18R3.551442 Clc1cnc2cc(ccc2n1)OCC3CC3 34a_200010664160_100000742324 [0,1,0,1,0,0|2,0,0]=4 13368 B18R3.551442 Fc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100009817052 [0,1,0,1,0,0|1,0,1]=4 13369 B18R3.551442 Fc1ccc2cc(ccc2c1)C=CC3CC3 271570a_100102526188_100009817052 [0,1,0,1,0,0|1,0,1]=4 13370 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CC3 34a_100009847029_100000742324 [0,1,0,1,0,0|0,0,0]=2 13371 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CC3 7a_100009847029_100000742324 [0,1,0,1,0,0|0,0,0]=2 13372 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CO3 34a_100009847029_102125554688 [0,1,0,1,0,0|1,0,0]=3 13373 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CO3 7a_100009847029_102125554688 [0,1,0,1,0,0|1,0,0]=3 13374 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CS3 7a_100009847029_100000031435 [0,1,0,1,0,0|1,0,0]=3 13375 B18R3.551442 Fc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100009847029_100000745022 [0,1,0,1,0,0|1,0,0]=3 13376 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100009817052 [0,1,0,1,0,0|0,1,0]=3 13377 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CC3 62a_100009817052_100000742324 [0,1,0,1,0,0|0,1,0]=3 13378 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CO3 62a_100009817052_102125554688 [0,1,0,1,0,0|1,1,0]=4 13379 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100009817052 [0,1,0,1,0,0|1,1,0]=4 13380 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100009817052 [0,1,0,1,0,0|1,1,0]=4 13381 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CS3 62a_100009817052_100000031435 [0,1,0,1,0,0|1,1,0]=4 13382 B18R3.551442 Fc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100009817052 [0,1,0,1,0,0|1,1,0]=4 13383 B18R3.551442 Fc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100009817052_100000745022 [0,1,0,1,0,0|1,1,0]=4 13384 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CC3 34a_100012184162_100000742324 [0,1,0,1,0,0|1,0,0]=3 13385 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CC3 7a_100012184162_100000742324 [0,1,0,1,0,0|1,0,0]=3 13386 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CO3 34a_100012184162_102125554688 [0,1,0,1,0,0|2,0,0]=4 13387 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CO3 7a_100012184162_102125554688 [0,1,0,1,0,0|2,0,0]=4 13388 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CS3 7a_100012184162_100000031435 [0,1,0,1,0,0|2,0,0]=4 13389 B18R3.551442 Fc1ccc2cc(cnc2c1)OC[C@@H]3CO3 7a_100012184162_100000745022 [0,1,0,1,0,0|2,0,0]=4 13390 B18R3.551442 Fc1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011998705 [0,1,0,1,0,0|2,0,0]=4 13391 B18R3.551442 Fc1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011998705 [0,1,0,1,0,0|1,1,0]=4 13392 B18R3.551442 Fc1ccc2nc(ccc2c1)SCC3CC3 62a_200012355665_100000742324 [0,1,0,1,0,0|1,1,0]=4 13393 B18R3.551442 Fc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010751466 [0,1,0,1,0,0|1,1,0]=4 13394 B18R3.551442 Fc1cnc2cc(ccc2c1)SCC3CC3 62a_100010751466_100000742324 [0,1,0,1,0,0|1,1,0]=4 13395 B18R3.551442 Nc1cc2ccc(cc2cn1)SCC3CC3 62a_100000756562_100010232990 [0,1,0,1,0,0|1,1,0]=4 13396 B18R3.551442 Nc1cc2ccc(cc2cn1)SCC3CC3 62a_100010232990_100000742324 [0,1,0,1,0,0|1,1,0]=4 13397 B18R3.551442 Nc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100000185457 [0,1,0,1,0,0|1,0,1]=4 13398 B18R3.551442 Nc1ccc2cc(ccc2c1)C=CC3CC3 271570a_100102526188_100000185457 [0,1,0,1,0,0|1,0,1]=4 13399 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CC3 62a_100000185457_100000742324 [0,1,0,1,0,0|0,1,0]=3 13400 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000185457 [0,1,0,1,0,0|0,1,0]=3 13401 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CO3 62a_100000185457_102125554688 [0,1,0,1,0,0|1,1,0]=4 13402 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100000185457 [0,1,0,1,0,0|1,1,0]=4 13403 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100000185457 [0,1,0,1,0,0|1,1,0]=4 13404 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CS3 62a_100000185457_100000031435 [0,1,0,1,0,0|1,1,0]=4 13405 B18R3.551442 Nc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000185457_100000745022 [0,1,0,1,0,0|1,1,0]=4 13406 B18R3.551442 Nc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100000185457 [0,1,0,1,0,0|1,1,0]=4 13407 B18R3.551442 Nc1ccc2cc(ccc2n1)SCC3CC3 62a_100011934619_100000742324 [0,1,0,1,0,0|1,1,0]=4 13408 B18R3.551442 Nc1ccc2cc(cnc2c1)SCC3CC3 62a_100000756562_200010264087 [0,1,0,1,0,0|1,1,0]=4 13409 B18R3.551442 Nc1ccc2cc(cnc2c1)SCC3CC3 62a_200010264087_100000742324 [0,1,0,1,0,0|1,1,0]=4 13410 B18R3.551442 Nc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010142226 [0,1,0,1,0,0|1,1,0]=4 13411 B18R3.551442 Nc1cnc2cc(ccc2c1)SCC3CC3 62a_100010142226_100000742324 [0,1,0,1,0,0|1,1,0]=4 13412 B18R3.551442 O=c1ccc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100011934725 [0,1,0,1,0,0|1,1,0]=4 13413 B18R3.551442 O=c1ccc2cc(ccc2o1)NCC3CC3 7a_100000008519_100000742324 [0,1,0,1,0,0|2,0,0]=4 13414 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CC3 34a_100000066265_100000742324 [0,1,0,1,0,0|1,0,0]=3 13415 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CC3 7a_100000066265_100000742324 [0,1,0,1,0,0|1,0,0]=3 13416 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CO3 34a_100000066265_102125554688 [0,1,0,1,0,0|2,0,0]=4 13417 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CO3 7a_100000066265_102125554688 [0,1,0,1,0,0|2,0,0]=4 13418 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CS3 7a_100000066265_100000031435 [0,1,0,1,0,0|2,0,0]=4 13419 B18R3.551442 O=c1ccc2cc(ccc2o1)OC[C@@H]3CO3 7a_100000066265_100000745022 [0,1,0,1,0,0|2,0,0]=4 13420 B18R3.551442 O=c1ccc2cc(ccc2o1)SCC3CC3 62a_100000756562_100009999946 [0,1,0,1,0,0|1,1,0]=4 13421 B18R3.551442 Oc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100000185455 [0,1,0,1,0,0|1,0,1]=4 13422 B18R3.551442 Oc1ccc2cc(ccc2c1)C=CC3CC3 271570a_100102526188_100000185455 [0,1,0,1,0,0|1,0,1]=4 13423 B18R3.551442 Oc1ccc2cc(ccc2c1)CNC3CC3 34a_200000083168_100000211595 [0,1,0,1,0,0|2,0,0]=4 13424 B18R3.551442 Oc1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000185455 [0,1,0,1,0,0|0,1,0]=3 13425 B18R3.551442 Oc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100000185455 [0,1,0,1,0,0|1,1,0]=4 13426 B18R3.551442 Oc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100000185455 [0,1,0,1,0,0|1,1,0]=4 13427 B18R3.551442 Oc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100000185455 [0,1,0,1,0,0|1,1,0]=4 13428 B18R3.551442 Oc1ccc2cc(cnc2c1)SCC3CC3 62a_100000756562_200010153753 [0,1,0,1,0,0|1,1,0]=4 13429 B18R3.551442 Oc1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100009849208 [0,1,0,1,0,0|1,1,0]=4 13430 B18R3.89317 CC1CN(C1)c2ccc3c(ccnc3c2)Cl 27a_100000702820_100009996786 [0,1,0,1,0,0|2,0,0]=4 13431 B18R3.89318 Brc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100010204298 [0,1,0,1,0,0|1,1,0]=4 13432 B18R3.89318 Brc1cccc2c1ncc(c2)SCC3CC3 62a_100010204298_100000742324 [0,1,0,1,0,0|1,1,0]=4 13433 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CC3 34a_100010204257_100000742324 [0,1,0,1,0,0|1,0,0]=3 13434 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CC3 7a_100010204257_100000742324 [0,1,0,1,0,0|1,0,0]=3 13435 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CO3 34a_100010204257_102125554688 [0,1,0,1,0,0|2,0,0]=4 13436 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CO3 7a_100010204257_102125554688 [0,1,0,1,0,0|2,0,0]=4 13437 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CS3 7a_100010204257_100000031435 [0,1,0,1,0,0|2,0,0]=4 13438 B18R3.89318 Brc1ccnc2c1ccc(c2)OC[C@@H]3CO3 7a_100010204257_100000745022 [0,1,0,1,0,0|2,0,0]=4 13439 B18R3.89318 Cc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100009829671 [0,1,0,1,0,0|1,1,0]=4 13440 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CC3 34a_200009854145_100000742324 [0,1,0,1,0,0|1,0,0]=3 13441 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CC3 7a_200009854145_100000742324 [0,1,0,1,0,0|1,0,0]=3 13442 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CO3 34a_200009854145_102125554688 [0,1,0,1,0,0|2,0,0]=4 13443 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CO3 7a_200009854145_102125554688 [0,1,0,1,0,0|2,0,0]=4 13444 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CS3 7a_200009854145_100000031435 [0,1,0,1,0,0|2,0,0]=4 13445 B18R3.89318 Cc1ccnc2c1ccc(c2)OC[C@@H]3CO3 7a_200009854145_100000745022 [0,1,0,1,0,0|2,0,0]=4 13446 B18R3.89318 Cc1ccnc2c1ccc(c2)SCC3CC3 62a_100000756562_100010132309 [0,1,0,1,0,0|1,1,0]=4 13447 B18R3.89318 Cc1ccnc2c1ccc(c2)SCC3CC3 62a_100010132309_100000742324 [0,1,0,1,0,0|1,1,0]=4 13448 B18R3.89318 Clc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100000759377 [0,1,0,1,0,0|1,1,0]=4 13449 B18R3.89318 Clc1ccnc2c1ccc(c2)NCC3CC3 27a_100000735609_100009996786 [0,1,0,1,0,0|2,0,0]=4 13450 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CC3 34a_100000045489_100000742324 [0,1,0,1,0,0|1,0,0]=3 13451 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CC3 7a_100000045489_100000742324 [0,1,0,1,0,0|1,0,0]=3 13452 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CO3 34a_100000045489_102125554688 [0,1,0,1,0,0|2,0,0]=4 13453 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CO3 7a_100000045489_102125554688 [0,1,0,1,0,0|2,0,0]=4 13454 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CS3 7a_100000045489_100000031435 [0,1,0,1,0,0|2,0,0]=4 13455 B18R3.89318 Clc1ccnc2c1ccc(c2)OC[C@@H]3CO3 7a_100000045489_100000745022 [0,1,0,1,0,0|2,0,0]=4 13456 B18R3.89318 Clc1ccnc2c1ccc(c2)SCC3CC3 62a_100000756562_100009996786 [0,1,0,1,0,0|1,1,0]=4 13457 B18R3.89318 Clc1ccnc2c1ccc(c2)SCC3CC3 62a_100009996786_100000742324 [0,1,0,1,0,0|1,1,0]=4 13458 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CC3 34a_100009867704_100000742324 [0,1,0,1,0,0|1,0,0]=3 13459 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CC3 7a_100009867704_100000742324 [0,1,0,1,0,0|1,0,0]=3 13460 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CO3 34a_100009867704_102125554688 [0,1,0,1,0,0|2,0,0]=4 13461 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CO3 7a_100009867704_102125554688 [0,1,0,1,0,0|2,0,0]=4 13462 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CS3 7a_100009867704_100000031435 [0,1,0,1,0,0|2,0,0]=4 13463 B18R3.89318 Clc1nccc2c1ccc(c2)OC[C@@H]3CO3 7a_100009867704_100000745022 [0,1,0,1,0,0|2,0,0]=4 13464 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CC3 34a_100012184956_100000742324 [0,1,0,1,0,0|1,0,0]=3 13465 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CC3 7a_100012184956_100000742324 [0,1,0,1,0,0|1,0,0]=3 13466 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CO3 34a_100012184956_102125554688 [0,1,0,1,0,0|2,0,0]=4 13467 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CO3 7a_100012184956_102125554688 [0,1,0,1,0,0|2,0,0]=4 13468 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CS3 7a_100012184956_100000031435 [0,1,0,1,0,0|2,0,0]=4 13469 B18R3.89318 Fc1cccc2c1ncc(c2)OC[C@@H]3CO3 7a_100012184956_100000745022 [0,1,0,1,0,0|2,0,0]=4 13470 B18R3.89318 Fc1cccc2c1ncc(c2)SCC3CC3 62a_100000049890_100000742324 [0,1,0,1,0,0|1,1,0]=4 13471 B18R3.89318 Fc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100000049890 [0,1,0,1,0,0|1,1,0]=4 13472 B18R3.89318 Nc1cccc2c1ccc(c2)C#CC3CC3 271570a_200009880635_100010090037 [0,1,0,1,0,0|1,0,1]=4 13473 B18R3.89318 Nc1cccc2c1ccc(c2)C=CC3CC3 271570a_100102526188_100010090037 [0,1,0,1,0,0|1,0,1]=4 13474 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CC3 34a_100000034668_100000742324 [0,1,0,1,0,0|0,0,0]=2 13475 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CC3 7a_100000034668_100000742324 [0,1,0,1,0,0|0,0,0]=2 13476 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CO3 34a_100000034668_102125554688 [0,1,0,1,0,0|1,0,0]=3 13477 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CO3 7a_100000034668_102125554688 [0,1,0,1,0,0|1,0,0]=3 13478 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CS3 7a_100000034668_100000031435 [0,1,0,1,0,0|1,0,0]=3 13479 B18R3.89318 Nc1cccc2c1ccc(c2)OC[C@@H]3CO3 7a_100000034668_100000745022 [0,1,0,1,0,0|1,0,0]=3 13480 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CC3 62a_100000756562_100010090037 [0,1,0,1,0,0|0,1,0]=3 13481 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CC3 62a_100010090037_100000742324 [0,1,0,1,0,0|0,1,0]=3 13482 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CO3 62a_100010090037_102125554688 [0,1,0,1,0,0|1,1,0]=4 13483 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CO3 62a_102125554688_100010090037 [0,1,0,1,0,0|1,1,0]=4 13484 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CS3 62a_100000031435_100010090037 [0,1,0,1,0,0|1,1,0]=4 13485 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CS3 62a_100010090037_100000031435 [0,1,0,1,0,0|1,1,0]=4 13486 B18R3.89318 Nc1cccc2c1ccc(c2)SC[C@@H]3CO3 62a_100000745022_100010090037 [0,1,0,1,0,0|1,1,0]=4 13487 B18R3.89318 Nc1cccc2c1ccc(c2)SC[C@@H]3CO3 62a_100010090037_100000745022 [0,1,0,1,0,0|1,1,0]=4 13488 B18R3.89318 Nc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100000702407 [0,1,0,1,0,0|1,1,0]=4 13489 B18R3.89318 Nc1ccnc2c1ccc(c2)SCC3CC3 62a_200009816820_100000742324 [0,1,0,1,0,0|1,1,0]=4 13490 B18R3.89318 Nc1nccc2c1ccc(c2)SCC3CC3 62a_100000732483_100000742324 [0,1,0,1,0,0|1,1,0]=4 13491 B18R3.89318 Nc1nccc2c1ccc(c2)SCC3CC3 62a_100000756562_100000732483 [0,1,0,1,0,0|1,1,0]=4 13492 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CC3 34a_100009857879_100000742324 [0,1,0,1,0,0|1,0,0]=3 13493 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CC3 7a_100009857879_100000742324 [0,1,0,1,0,0|1,0,0]=3 13494 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CO3 34a_100009857879_102125554688 [0,1,0,1,0,0|2,0,0]=4 13495 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CO3 7a_100009857879_102125554688 [0,1,0,1,0,0|2,0,0]=4 13496 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CS3 7a_100009857879_100000031435 [0,1,0,1,0,0|2,0,0]=4 13497 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OC[C@@H]3CO3 7a_100009857879_100000745022 [0,1,0,1,0,0|2,0,0]=4 13498 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CC3 34a_200000065989_100000742324 [0,1,0,1,0,0|1,0,0]=3 13499 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CC3 7a_200000065989_100000742324 [0,1,0,1,0,0|1,0,0]=3 13500 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CO3 34a_200000065989_102125554688 [0,1,0,1,0,0|2,0,0]=4 13501 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CO3 7a_200000065989_102125554688 [0,1,0,1,0,0|2,0,0]=4 13502 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CS3 7a_200000065989_100000031435 [0,1,0,1,0,0|2,0,0]=4 13503 B18R3.89318 O=c1ccoc2c1ccc(c2)OC[C@@H]3CO3 7a_200000065989_100000745022 [0,1,0,1,0,0|2,0,0]=4 13504 B18R3.89318 O=c1ccoc2c1ccc(c2)SCC3CC3 62a_100000756562_100010062221 [0,1,0,1,0,0|1,1,0]=4 13505 B18R3.89318 Oc1cccc2c1ccc(c2)C#CC3CC3 271570a_200009880635_100010202202 [0,1,0,1,0,0|1,0,1]=4 13506 B18R3.89318 Oc1cccc2c1ccc(c2)C=CC3CC3 271570a_100102526188_100010202202 [0,1,0,1,0,0|1,0,1]=4 13507 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CC3 34a_100000035793_100000742324 [0,1,0,1,0,0|1,0,0]=3 13508 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CC3 7a_100000035793_100000742324 [0,1,0,1,0,0|1,0,0]=3 13509 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CO3 34a_100000035793_102125554688 [0,1,0,1,0,0|2,0,0]=4 13510 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CO3 7a_100000035793_102125554688 [0,1,0,1,0,0|2,0,0]=4 13511 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CS3 7a_100000035793_100000031435 [0,1,0,1,0,0|2,0,0]=4 13512 B18R3.89318 Oc1cccc2c1ccc(c2)NC[C@@H]3CO3 7a_100000035793_100000745022 [0,1,0,1,0,0|2,0,0]=4 13513 B18R3.89318 Oc1cccc2c1ccc(c2)SCC3CC3 62a_100000756562_100010202202 [0,1,0,1,0,0|0,1,0]=3 13514 B18R3.89318 Oc1cccc2c1ccc(c2)SCC3CO3 62a_102125554688_100010202202 [0,1,0,1,0,0|1,1,0]=4 13515 B18R3.89318 Oc1cccc2c1ccc(c2)SCC3CS3 62a_100000031435_100010202202 [0,1,0,1,0,0|1,1,0]=4 13516 B18R3.89318 Oc1cccc2c1ccc(c2)SC[C@@H]3CO3 62a_100000745022_100010202202 [0,1,0,1,0,0|1,1,0]=4 13517 B18R3.89318 Oc1ccnc2c1ccc(c2)SCC3CC3 62a_100000756562_100000756855 [0,1,0,1,0,0|1,1,0]=4 13518 B18R3.89318 Oc1nccc2c1ccc(c2)SCC3CC3 62a_100000756562_100000760485 [0,1,0,1,0,0|1,1,0]=4 13519 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CC3 34a_100010089974_100000742324 [0,1,0,1,0,0|1,0,0]=3 13520 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CC3 7a_100010089974_100000742324 [0,1,0,1,0,0|1,0,0]=3 13521 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CO3 34a_100010089974_102125554688 [0,1,0,1,0,0|2,0,0]=4 13522 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CO3 7a_100010089974_102125554688 [0,1,0,1,0,0|2,0,0]=4 13523 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CS3 7a_100010089974_100000031435 [0,1,0,1,0,0|2,0,0]=4 13524 B18R3.100899 Brc1cc(cc2c1cccc2)NC[C@@H]3CO3 7a_100010089974_100000745022 [0,1,0,1,0,0|2,0,0]=4 13525 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CC3 34a_100010001680_100000742324 [0,1,0,1,0,0|0,0,0]=2 13526 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CC3 7a_100010001680_100000742324 [0,1,0,1,0,0|0,0,0]=2 13527 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CO3 34a_100010001680_102125554688 [0,1,0,1,0,0|1,0,0]=3 13528 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CO3 7a_100010001680_102125554688 [0,1,0,1,0,0|1,0,0]=3 13529 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CS3 7a_100010001680_100000031435 [0,1,0,1,0,0|1,0,0]=3 13530 B18R3.100899 Brc1cc(cc2c1cccc2)OC[C@@H]3CO3 7a_100010001680_100000745022 [0,1,0,1,0,0|1,0,0]=3 13531 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CC3 34a_100011009069_100000742324 [0,1,0,1,0,0|1,0,0]=3 13532 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CC3 7a_100011009069_100000742324 [0,1,0,1,0,0|1,0,0]=3 13533 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CO3 34a_100011009069_102125554688 [0,1,0,1,0,0|2,0,0]=4 13534 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CO3 7a_100011009069_102125554688 [0,1,0,1,0,0|2,0,0]=4 13535 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CS3 7a_100011009069_100000031435 [0,1,0,1,0,0|2,0,0]=4 13536 B18R3.100899 Brc1cc(cc2c1cncc2)OC[C@@H]3CO3 7a_100011009069_100000745022 [0,1,0,1,0,0|2,0,0]=4 13537 B18R3.100899 Cc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100010130319 [0,1,0,1,0,0|1,1,0]=4 13538 B18R3.100899 Cc1cc(nc2c1cccc2)NCC3CC3 27a_100000735609_100000184993 [0,1,0,1,0,0|2,0,0]=4 13539 B18R3.100899 Cc1cc(nc2c1cccc2)SCC3CC3 62a_100000756562_100000184993 [0,1,0,1,0,0|1,1,0]=4 13540 B18R3.100899 Cc1cc(nc2c1cccc2)SCC3CC3 62a_100012354972_100000742324 [0,1,0,1,0,0|1,1,0]=4 13541 B18R3.100899 Clc1cc(cc2c1nccc2)NCC3CC3 34a_200009830422_100000742324 [0,1,0,1,0,0|2,0,0]=4 13542 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CC3 34a_100000097192_100000742324 [0,1,0,1,0,0|1,0,0]=3 13543 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CC3 7a_100000097192_100000742324 [0,1,0,1,0,0|1,0,0]=3 13544 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CO3 34a_100000097192_102125554688 [0,1,0,1,0,0|2,0,0]=4 13545 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CO3 7a_100000097192_102125554688 [0,1,0,1,0,0|2,0,0]=4 13546 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CS3 7a_100000097192_100000031435 [0,1,0,1,0,0|2,0,0]=4 13547 B18R3.100899 Clc1cc(cc2c1nccc2)OC[C@@H]3CO3 7a_100000097192_100000745022 [0,1,0,1,0,0|2,0,0]=4 13548 B18R3.100899 Clc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_200010369337 [0,1,0,1,0,0|1,1,0]=4 13549 B18R3.100899 Fc1cc(cc2c1cncc2)NCC3CC3 27a_100000735609_100011068762 [0,1,0,1,0,0|2,0,0]=4 13550 B18R3.100899 Fc1cc(cc2c1cncc2)SCC3CC3 62a_100000756562_100011068762 [0,1,0,1,0,0|1,1,0]=4 13551 B18R3.100899 Fc1cc(cc2c1cncc2)SCC3CC3 62a_100011068762_100000742324 [0,1,0,1,0,0|1,1,0]=4 13552 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CC3 34a_100009888031_100000742324 [0,1,0,1,0,0|1,0,0]=3 13553 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CC3 7a_100009888031_100000742324 [0,1,0,1,0,0|1,0,0]=3 13554 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CO3 34a_100009888031_102125554688 [0,1,0,1,0,0|2,0,0]=4 13555 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CO3 7a_100009888031_102125554688 [0,1,0,1,0,0|2,0,0]=4 13556 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CS3 7a_100009888031_100000031435 [0,1,0,1,0,0|2,0,0]=4 13557 B18R3.100899 Fc1cc(cc2c1nccc2)OC[C@@H]3CO3 7a_100009888031_100000745022 [0,1,0,1,0,0|2,0,0]=4 13558 B18R3.100899 Fc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100010234705 [0,1,0,1,0,0|1,1,0]=4 13559 B18R3.100899 Fc1cc(cc2c1nccc2)SCC3CC3 62a_100010234705_100000742324 [0,1,0,1,0,0|1,1,0]=4 13560 B18R3.100899 Nc1cc(cc2c1cccc2)C#CC3CC3 271570a_200009880635_100010171453 [0,1,0,1,0,0|1,0,1]=4 13561 B18R3.100899 Nc1cc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100010171453 [0,1,0,1,0,0|1,0,1]=4 13562 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CC3 62a_100000756562_100010171453 [0,1,0,1,0,0|0,1,0]=3 13563 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CC3 62a_100010171453_100000742324 [0,1,0,1,0,0|0,1,0]=3 13564 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CO3 62a_100010171453_102125554688 [0,1,0,1,0,0|1,1,0]=4 13565 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CO3 62a_102125554688_100010171453 [0,1,0,1,0,0|1,1,0]=4 13566 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CS3 62a_100000031435_100010171453 [0,1,0,1,0,0|1,1,0]=4 13567 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CS3 62a_100010171453_100000031435 [0,1,0,1,0,0|1,1,0]=4 13568 B18R3.100899 Nc1cc(cc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010171453 [0,1,0,1,0,0|1,1,0]=4 13569 B18R3.100899 Nc1cc(cc2c1cccc2)SC[C@@H]3CO3 62a_100010171453_100000745022 [0,1,0,1,0,0|1,1,0]=4 13570 B18R3.100899 Nc1cc(cc2c1cccn2)SCC3CC3 62a_100000756562_200010263263 [0,1,0,1,0,0|1,1,0]=4 13571 B18R3.100899 Nc1cc(cc2c1cccn2)SCC3CC3 62a_200010263263_100000742324 [0,1,0,1,0,0|1,1,0]=4 13572 B18R3.100899 Nc1cc(cc2c1nccc2)OCC3CC3 34a_100000083691_100000742324 [0,1,0,1,0,0|1,0,0]=3 13573 B18R3.100899 Nc1cc(cc2c1nccc2)OCC3CO3 34a_100000083691_102125554688 [0,1,0,1,0,0|2,0,0]=4 13574 B18R3.100899 Nc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100009814519 [0,1,0,1,0,0|1,1,0]=4 13575 B18R3.100899 Nc1cc(nc2c1cccc2)SCC3CC3 62a_100010197925_100000742324 [0,1,0,1,0,0|1,1,0]=4 13576 B18R3.100899 Nc1nc(cc2c1cccc2)SCC3CC3 62a_100000756562_100009957331 [0,1,0,1,0,0|1,1,0]=4 13577 B18R3.100899 Nc1nc(cc2c1cccc2)SCC3CC3 62a_100009957331_100000742324 [0,1,0,1,0,0|1,1,0]=4 13578 B18R3.100899 O=c1[nH]c(cc2c1cccc2)SCC3CC3 62a_100000756562_200015811170 [0,1,0,1,0,0|1,1,0]=4 13579 B18R3.100899 O=c1cc([nH]c2c1cccc2)SCC3CC3 62a_100000756562_100000090176 [0,1,0,1,0,0|1,1,0]=4 13580 B18R3.100899 O=c1cc(nc2n1cccc2)OCC3CC3 34a_100000751361_100000742324 [0,1,0,1,0,0|2,0,0]=4 13581 B18R3.100899 Oc1cc(cc2c1cccc2)C#CC3CC3 271570a_200009880635_100010089979 [0,1,0,1,0,0|1,0,1]=4 13582 B18R3.100899 Oc1cc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100010089979 [0,1,0,1,0,0|1,0,1]=4 13583 B18R3.100899 Oc1cc(cc2c1cccc2)SCC3CC3 62a_100000756562_100010089979 [0,1,0,1,0,0|0,1,0]=3 13584 B18R3.100899 Oc1cc(cc2c1cccc2)SCC3CO3 62a_102125554688_100010089979 [0,1,0,1,0,0|1,1,0]=4 13585 B18R3.100899 Oc1cc(cc2c1cccc2)SCC3CS3 62a_100000031435_100010089979 [0,1,0,1,0,0|1,1,0]=4 13586 B18R3.100899 Oc1cc(cc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010089979 [0,1,0,1,0,0|1,1,0]=4 13587 B18R3.100899 Oc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100010248853 [0,1,0,1,0,0|1,1,0]=4 13588 B18R3.105421 CC1CN(C1)c2cc(c3cnccc3c2)F 27a_100000702820_100011068762 [0,1,0,1,0,0|2,0,0]=4 13589 B18R3.105421 Cc1cc(nc2c1cccc2)N3CC(C3)C 27a_100000702820_100000184993 [0,1,0,1,0,0|2,0,0]=4 13590 B18R3.422386 Brc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_200010089984 [0,1,0,1,0,0|1,0,1]=4 13591 B18R3.422386 Brc1c(ccc2c1cccc2)CNC3CC3 34a_100000212008_100009813938 [0,1,0,1,0,0|2,0,0]=4 13592 B18R3.422386 Brc1c(ccc2c1cccc2)NCC3CC3 34a_100000705303_100000742324 [0,1,0,1,0,0|1,0,0]=3 13593 B18R3.422386 Brc1c(ccc2c1cccc2)NCC3CO3 34a_100000705303_102125554688 [0,1,0,1,0,0|2,0,0]=4 13594 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CC3 34a_100000183829_100000742324 [0,1,0,1,0,0|0,0,0]=2 13595 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CC3 7a_100000183829_100000742324 [0,1,0,1,0,0|0,0,0]=2 13596 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CO3 34a_100000183829_102125554688 [0,1,0,1,0,0|1,0,0]=3 13597 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CO3 7a_100000183829_102125554688 [0,1,0,1,0,0|1,0,0]=3 13598 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CS3 7a_100000183829_100000031435 [0,1,0,1,0,0|1,0,0]=3 13599 B18R3.422386 Brc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000183829_100000745022 [0,1,0,1,0,0|1,0,0]=3 13600 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_200010089984 [0,1,0,1,0,0|1,1,0]=4 13601 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CO3 62a_200010089984_102125554688 [0,1,0,1,0,0|1,1,0]=4 13602 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_200010089984 [0,1,0,1,0,0|1,1,0]=4 13603 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CS3 62a_200010089984_100000031435 [0,1,0,1,0,0|1,1,0]=4 13604 B18R3.422386 Brc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_200010089984 [0,1,0,1,0,0|1,1,0]=4 13605 B18R3.422386 Brc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_200010089984_100000745022 [0,1,0,1,0,0|1,1,0]=4 13606 B18R3.422386 Brc1c(ccc2c1cccn2)NCC3CC3 34a_200009995563_100000742324 [0,1,0,1,0,0|2,0,0]=4 13607 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CC3 34a_200010115057_100000742324 [0,1,0,1,0,0|1,0,0]=3 13608 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CC3 7a_200010115057_100000742324 [0,1,0,1,0,0|1,0,0]=3 13609 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CO3 34a_200010115057_102125554688 [0,1,0,1,0,0|2,0,0]=4 13610 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CO3 7a_200010115057_102125554688 [0,1,0,1,0,0|2,0,0]=4 13611 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CS3 7a_200010115057_100000031435 [0,1,0,1,0,0|2,0,0]=4 13612 B18R3.422386 Brc1c(ccc2c1cncc2)OC[C@@H]3CO3 7a_200010115057_100000745022 [0,1,0,1,0,0|2,0,0]=4 13613 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CC3 34a_100010173343_100000742324 [0,1,0,1,0,0|1,0,0]=3 13614 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CC3 7a_100010173343_100000742324 [0,1,0,1,0,0|1,0,0]=3 13615 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CO3 34a_100010173343_102125554688 [0,1,0,1,0,0|2,0,0]=4 13616 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CO3 7a_100010173343_102125554688 [0,1,0,1,0,0|2,0,0]=4 13617 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CS3 7a_100010173343_100000031435 [0,1,0,1,0,0|2,0,0]=4 13618 B18R3.422386 Brc1c(ccc2c1nccc2)OC[C@@H]3CO3 7a_100010173343_100000745022 [0,1,0,1,0,0|2,0,0]=4 13619 B18R3.422386 Cc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100010221197 [0,1,0,1,0,0|1,0,1]=4 13620 B18R3.422386 Cc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100010221197 [0,1,0,1,0,0|1,0,1]=4 13621 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CC3 34a_100009830054_100000742324 [0,1,0,1,0,0|0,0,0]=2 13622 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CC3 7a_100009830054_100000742324 [0,1,0,1,0,0|0,0,0]=2 13623 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CO3 34a_100009830054_102125554688 [0,1,0,1,0,0|1,0,0]=3 13624 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CO3 7a_100009830054_102125554688 [0,1,0,1,0,0|1,0,0]=3 13625 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CS3 7a_100009830054_100000031435 [0,1,0,1,0,0|1,0,0]=3 13626 B18R3.422386 Cc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100009830054_100000745022 [0,1,0,1,0,0|1,0,0]=3 13627 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CC3 62a_100000756562_100010221197 [0,1,0,1,0,0|0,1,0]=3 13628 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CC3 62a_100010221197_100000742324 [0,1,0,1,0,0|0,1,0]=3 13629 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CO3 62a_100010221197_102125554688 [0,1,0,1,0,0|1,1,0]=4 13630 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_100010221197 [0,1,0,1,0,0|1,1,0]=4 13631 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_100010221197 [0,1,0,1,0,0|1,1,0]=4 13632 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CS3 62a_100010221197_100000031435 [0,1,0,1,0,0|1,1,0]=4 13633 B18R3.422386 Cc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010221197 [0,1,0,1,0,0|1,1,0]=4 13634 B18R3.422386 Cc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100010221197_100000745022 [0,1,0,1,0,0|1,1,0]=4 13635 B18R3.422386 Cc1c(ccc2c1cccn2)SCC3CC3 62a_100000756562_200010137439 [0,1,0,1,0,0|1,1,0]=4 13636 B18R3.422386 Cc1c(ccc2c1cccn2)SCC3CC3 62a_200010137439_100000742324 [0,1,0,1,0,0|1,1,0]=4 13637 B18R3.422386 Cc1c(ccc2c1nccc2)SCC3CC3 62a_100000756562_100010214467 [0,1,0,1,0,0|1,1,0]=4 13638 B18R3.422386 Clc1c(ccc2c1cccc2)NCC3CC3 34a_100000075557_100000742324 [0,1,0,1,0,0|1,0,0]=3 13639 B18R3.422386 Clc1c(ccc2c1cccc2)NCC3CO3 34a_100000075557_102125554688 [0,1,0,1,0,0|2,0,0]=4 13640 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CC3 34a_100000029778_100000742324 [0,1,0,1,0,0|0,0,0]=2 13641 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CC3 7a_100000029778_100000742324 [0,1,0,1,0,0|0,0,0]=2 13642 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CO3 34a_100000029778_102125554688 [0,1,0,1,0,0|1,0,0]=3 13643 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CO3 7a_100000029778_102125554688 [0,1,0,1,0,0|1,0,0]=3 13644 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CS3 7a_100000029778_100000031435 [0,1,0,1,0,0|1,0,0]=3 13645 B18R3.422386 Clc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000029778_100000745022 [0,1,0,1,0,0|1,0,0]=3 13646 B18R3.422386 Clc1c(ccc2c1ccnc2)NCC3CC3 34a_100009851981_100000742324 [0,1,0,1,0,0|2,0,0]=4 13647 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CC3 34a_100009824633_100000742324 [0,1,0,1,0,0|1,0,0]=3 13648 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CC3 7a_100009824633_100000742324 [0,1,0,1,0,0|1,0,0]=3 13649 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CO3 34a_100009824633_102125554688 [0,1,0,1,0,0|2,0,0]=4 13650 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CO3 7a_100009824633_102125554688 [0,1,0,1,0,0|2,0,0]=4 13651 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CS3 7a_100009824633_100000031435 [0,1,0,1,0,0|2,0,0]=4 13652 B18R3.422386 Clc1c(ccc2c1ccnc2)OC[C@@H]3CO3 7a_100009824633_100000745022 [0,1,0,1,0,0|2,0,0]=4 13653 B18R3.422386 Clc1c(cnc2c1cccc2)SCC3CC3 62a_100000756562_100012352519 [0,1,0,1,0,0|1,1,0]=4 13654 B18R3.422386 Fc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100009832041 [0,1,0,1,0,0|1,0,1]=4 13655 B18R3.422386 Fc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100009832041 [0,1,0,1,0,0|1,0,1]=4 13656 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CC3 62a_100000756562_100009832041 [0,1,0,1,0,0|0,1,0]=3 13657 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CC3 62a_100009832041_100000742324 [0,1,0,1,0,0|0,1,0]=3 13658 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CO3 62a_100009832041_102125554688 [0,1,0,1,0,0|1,1,0]=4 13659 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_100009832041 [0,1,0,1,0,0|1,1,0]=4 13660 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_100009832041 [0,1,0,1,0,0|1,1,0]=4 13661 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CS3 62a_100009832041_100000031435 [0,1,0,1,0,0|1,1,0]=4 13662 B18R3.422386 Fc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009832041 [0,1,0,1,0,0|1,1,0]=4 13663 B18R3.422386 Fc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100009832041_100000745022 [0,1,0,1,0,0|1,1,0]=4 13664 B18R3.422386 Fc1c(ccc2c1nccc2)SCC3CC3 62a_100000756562_100010751467 [0,1,0,1,0,0|1,1,0]=4 13665 B18R3.422386 Fc1c(ccc2c1nccc2)SCC3CC3 62a_100010751467_100000742324 [0,1,0,1,0,0|1,1,0]=4 13666 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CC3 34a_100000041551_100000742324 [0,1,0,1,0,0|0,0,0]=2 13667 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CC3 7a_100000041551_100000742324 [0,1,0,1,0,0|0,0,0]=2 13668 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CO3 34a_100000041551_102125554688 [0,1,0,1,0,0|1,0,0]=3 13669 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CO3 7a_100000041551_102125554688 [0,1,0,1,0,0|1,0,0]=3 13670 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CS3 7a_100000041551_100000031435 [0,1,0,1,0,0|1,0,0]=3 13671 B18R3.422386 Ic1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000041551_100000745022 [0,1,0,1,0,0|1,0,0]=3 13672 B18R3.422386 Nc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100009817101 [0,1,0,1,0,0|1,0,1]=4 13673 B18R3.422386 Nc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100009817101 [0,1,0,1,0,0|1,0,1]=4 13674 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CC3 34a_100000007056_100000742324 [0,1,0,1,0,0|0,0,0]=2 13675 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CC3 7a_100000007056_100000742324 [0,1,0,1,0,0|0,0,0]=2 13676 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CO3 34a_100000007056_102125554688 [0,1,0,1,0,0|1,0,0]=3 13677 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CO3 7a_100000007056_102125554688 [0,1,0,1,0,0|1,0,0]=3 13678 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CS3 7a_100000007056_100000031435 [0,1,0,1,0,0|1,0,0]=3 13679 B18R3.422386 Nc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000007056_100000745022 [0,1,0,1,0,0|1,0,0]=3 13680 B18R3.422386 Nc1c(ccc2c1cccc2)SCC3CC3 62a_100009817101_100000742324 [0,1,0,1,0,0|0,1,0]=3 13681 B18R3.422386 Nc1c(ccc2c1cccc2)SCC3CO3 62a_100009817101_102125554688 [0,1,0,1,0,0|1,1,0]=4 13682 B18R3.422386 Nc1c(ccc2c1cccc2)SCC3CS3 62a_100009817101_100000031435 [0,1,0,1,0,0|1,1,0]=4 13683 B18R3.422386 Nc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100009817101_100000745022 [0,1,0,1,0,0|1,1,0]=4 13684 B18R3.422386 Nc1c(ccc2c1cccn2)SCC3CC3 62a_200010235790_100000742324 [0,1,0,1,0,0|1,1,0]=4 13685 B18R3.422386 Nc1c(ccc2c1ccnc2)SCC3CC3 62a_100000756562_100010191621 [0,1,0,1,0,0|1,1,0]=4 13686 B18R3.422386 Nc1c(ccc2c1ccnc2)SCC3CC3 62a_100010191621_100000742324 [0,1,0,1,0,0|1,1,0]=4 13687 B18R3.422386 Nc1c(cnc2c1cccc2)SCC3CC3 62a_100000756562_100009995562 [0,1,0,1,0,0|1,1,0]=4 13688 B18R3.422386 Nc1c(cnc2c1cccc2)SCC3CC3 62a_100009995562_100000742324 [0,1,0,1,0,0|1,1,0]=4 13689 B18R3.422386 Nc1c(ncc2c1cccc2)SCC3CC3 62a_100000756562_100000087573 [0,1,0,1,0,0|1,1,0]=4 13690 B18R3.422386 Nc1c(ncc2c1cccc2)SCC3CC3 62a_100009995564_100000742324 [0,1,0,1,0,0|1,1,0]=4 13691 B18R3.422386 O=c1c(c[nH]c2c1cccc2)SCC3CC3 62a_100000756562_100012348052 [0,1,0,1,0,0|1,1,0]=4 13692 B18R3.422386 O=c1c(coc2c1cccc2)SCC3CC3 62a_100000756562_100009813851 [0,1,0,1,0,0|1,1,0]=4 13693 B18R3.422386 Oc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100009996032 [0,1,0,1,0,0|1,0,1]=4 13694 B18R3.422386 Oc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100009996032 [0,1,0,1,0,0|1,0,1]=4 13695 B18R3.422386 Oc1c(ccc2c1cccc2)NCC3CC3 34a_100000007060_100000742324 [0,1,0,1,0,0|1,0,0]=3 13696 B18R3.422386 Oc1c(ccc2c1cccc2)NCC3CO3 34a_100000007060_102125554688 [0,1,0,1,0,0|2,0,0]=4 13697 B18R3.422386 Oc1c(ccc2c1cccc2)SCC3CC3 62a_100000756562_100009996032 [0,1,0,1,0,0|0,1,0]=3 13698 B18R3.422386 Oc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_100009996032 [0,1,0,1,0,0|1,1,0]=4 13699 B18R3.422386 Oc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_100009996032 [0,1,0,1,0,0|1,1,0]=4 13700 B18R3.422386 Oc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009996032 [0,1,0,1,0,0|1,1,0]=4 13701 B18R3.422386 Oc1c(ccc2c1nccc2)SCC3CC3 62a_100000756562_100009816563 [0,1,0,1,0,0|1,1,0]=4 13702 B18R3.834564 CC1CN(C1)c2ccc3cccc(c3n2)O 27a_100000702820_100010153751 [0,1,0,1,0,0|2,0,0]=4 13703 B18R3.834564 Cc1cccc2c1nc(cc2)N3CC(C3)C 27a_100000702820_100012002297 [0,1,0,1,0,0|2,0,0]=4 13704 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CC3 34a_100010169565_100000742324 [0,1,0,1,0,0|0,0,0]=2 13705 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CC3 7a_100010169565_100000742324 [0,1,0,1,0,0|0,0,0]=2 13706 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CO3 34a_100010169565_102125554688 [0,1,0,1,0,0|1,0,0]=3 13707 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CO3 7a_100010169565_102125554688 [0,1,0,1,0,0|1,0,0]=3 13708 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CS3 7a_100010169565_100000031435 [0,1,0,1,0,0|1,0,0]=3 13709 B18R3.834565 Brc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_100010169565_100000745022 [0,1,0,1,0,0|1,0,0]=3 13710 B18R3.834565 Brc1ccnc2c1cc(cc2)NCC3CC3 34a_100010074812_100000742324 [0,1,0,1,0,0|2,0,0]=4 13711 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CC3 34a_100010204251_100000742324 [0,1,0,1,0,0|1,0,0]=3 13712 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CC3 7a_100010204251_100000742324 [0,1,0,1,0,0|1,0,0]=3 13713 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CO3 34a_100010204251_102125554688 [0,1,0,1,0,0|2,0,0]=4 13714 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CO3 7a_100010204251_102125554688 [0,1,0,1,0,0|2,0,0]=4 13715 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CS3 7a_100010204251_100000031435 [0,1,0,1,0,0|2,0,0]=4 13716 B18R3.834565 Brc1ccnc2c1cc(cc2)OC[C@@H]3CO3 7a_100010204251_100000745022 [0,1,0,1,0,0|2,0,0]=4 13717 B18R3.834565 Cc1cccc2c1cc(cc2)C#CC3CC3 271570a_200009880635_100010089936 [0,1,0,1,0,0|1,0,1]=4 13718 B18R3.834565 Cc1cccc2c1cc(cc2)C=CC3CC3 271570a_100102526188_100010089936 [0,1,0,1,0,0|1,0,1]=4 13719 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CC3 34a_200000091600_100000742324 [0,1,0,1,0,0|0,0,0]=2 13720 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CC3 7a_200000091600_100000742324 [0,1,0,1,0,0|0,0,0]=2 13721 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CO3 34a_200000091600_102125554688 [0,1,0,1,0,0|1,0,0]=3 13722 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CO3 7a_200000091600_102125554688 [0,1,0,1,0,0|1,0,0]=3 13723 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CS3 7a_200000091600_100000031435 [0,1,0,1,0,0|1,0,0]=3 13724 B18R3.834565 Cc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_200000091600_100000745022 [0,1,0,1,0,0|1,0,0]=3 13725 B18R3.834565 Cc1cccc2c1cc(cc2)SCC3CC3 62a_100000756562_100010089936 [0,1,0,1,0,0|0,1,0]=3 13726 B18R3.834565 Cc1cccc2c1cc(cc2)SCC3CO3 62a_102125554688_100010089936 [0,1,0,1,0,0|1,1,0]=4 13727 B18R3.834565 Cc1cccc2c1cc(cc2)SCC3CS3 62a_100000031435_100010089936 [0,1,0,1,0,0|1,1,0]=4 13728 B18R3.834565 Cc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100000745022_100010089936 [0,1,0,1,0,0|1,1,0]=4 13729 B18R3.834565 Cc1cccc2c1nc(cc2)NCC3CC3 27a_100000735609_100012002297 [0,1,0,1,0,0|2,0,0]=4 13730 B18R3.834565 Cc1cccc2c1nc(cc2)SCC3CC3 62a_100000756562_100012002297 [0,1,0,1,0,0|1,1,0]=4 13731 B18R3.834565 Cc1ccnc2c1cc(cc2)SCC3CC3 62a_100000756562_100009817033 [0,1,0,1,0,0|1,1,0]=4 13732 B18R3.834565 Cc1ccnc2c1cc(cc2)SCC3CC3 62a_100009817033_100000742324 [0,1,0,1,0,0|1,1,0]=4 13733 B18R3.834565 Cc1nccc2c1cc(cc2)SCC3CC3 62a_100000756562_200010739692 [0,1,0,1,0,0|1,1,0]=4 13734 B18R3.834565 Cc1nccc2c1cc(cc2)SCC3CC3 62a_200010739692_100000742324 [0,1,0,1,0,0|1,1,0]=4 13735 B18R3.834565 Clc1ccnc2c1cc(cc2)NCC3CC3 34a_100009879071_100000742324 [0,1,0,1,0,0|2,0,0]=4 13736 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CC3 34a_100000075933_100000742324 [0,1,0,1,0,0|1,0,0]=3 13737 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CC3 7a_100000075933_100000742324 [0,1,0,1,0,0|1,0,0]=3 13738 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CO3 34a_100000075933_102125554688 [0,1,0,1,0,0|2,0,0]=4 13739 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CO3 7a_100000075933_102125554688 [0,1,0,1,0,0|2,0,0]=4 13740 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CS3 7a_100000075933_100000031435 [0,1,0,1,0,0|2,0,0]=4 13741 B18R3.834565 Clc1ccnc2c1cc(cc2)OC[C@@H]3CO3 7a_100000075933_100000745022 [0,1,0,1,0,0|2,0,0]=4 13742 B18R3.834565 Clc1ccnc2c1cc(cc2)SCC3CC3 62a_100000756562_100011310491 [0,1,0,1,0,0|1,1,0]=4 13743 B18R3.834565 Clc1ccnc2c1cc(cc2)SCC3CC3 62a_100011310491_100000742324 [0,1,0,1,0,0|1,1,0]=4 13744 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CC3 34a_200009844553_100000742324 [0,1,0,1,0,0|1,0,0]=3 13745 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CC3 7a_200009844553_100000742324 [0,1,0,1,0,0|1,0,0]=3 13746 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CO3 34a_200009844553_102125554688 [0,1,0,1,0,0|2,0,0]=4 13747 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CO3 7a_200009844553_102125554688 [0,1,0,1,0,0|2,0,0]=4 13748 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CS3 7a_200009844553_100000031435 [0,1,0,1,0,0|2,0,0]=4 13749 B18R3.834565 Clc1nccc2c1cc(cc2)OC[C@@H]3CO3 7a_200009844553_100000745022 [0,1,0,1,0,0|2,0,0]=4 13750 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CC3 34a_100000091619_100000742324 [0,1,0,1,0,0|0,0,0]=2 13751 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CC3 7a_100000091619_100000742324 [0,1,0,1,0,0|0,0,0]=2 13752 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CO3 34a_100000091619_102125554688 [0,1,0,1,0,0|1,0,0]=3 13753 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CO3 7a_100000091619_102125554688 [0,1,0,1,0,0|1,0,0]=3 13754 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CS3 7a_100000091619_100000031435 [0,1,0,1,0,0|1,0,0]=3 13755 B18R3.834565 Fc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_100000091619_100000745022 [0,1,0,1,0,0|1,0,0]=3 13756 B18R3.834565 Fc1cccc2c1nc(cc2)SCC3CC3 62a_100000756562_100012017632 [0,1,0,1,0,0|1,1,0]=4 13757 B18R3.834565 Nc1cccc2c1cc(cc2)C#CC3CC3 271570a_200009880635_100010090012 [0,1,0,1,0,0|1,0,1]=4 13758 B18R3.834565 Nc1cccc2c1cc(cc2)C=CC3CC3 271570a_100102526188_100010090012 [0,1,0,1,0,0|1,0,1]=4 13759 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CC3 34a_100000034012_100000742324 [0,1,0,1,0,0|0,0,0]=2 13760 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CC3 7a_100000034012_100000742324 [0,1,0,1,0,0|0,0,0]=2 13761 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CO3 34a_100000034012_102125554688 [0,1,0,1,0,0|1,0,0]=3 13762 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CO3 7a_100000034012_102125554688 [0,1,0,1,0,0|1,0,0]=3 13763 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CS3 7a_100000034012_100000031435 [0,1,0,1,0,0|1,0,0]=3 13764 B18R3.834565 Nc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_100000034012_100000745022 [0,1,0,1,0,0|1,0,0]=3 13765 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CC3 62a_100000756562_100010090012 [0,1,0,1,0,0|0,1,0]=3 13766 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CC3 62a_100010090012_100000742324 [0,1,0,1,0,0|0,1,0]=3 13767 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CO3 62a_100010090012_102125554688 [0,1,0,1,0,0|1,1,0]=4 13768 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CO3 62a_102125554688_100010090012 [0,1,0,1,0,0|1,1,0]=4 13769 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CS3 62a_100000031435_100010090012 [0,1,0,1,0,0|1,1,0]=4 13770 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CS3 62a_100010090012_100000031435 [0,1,0,1,0,0|1,1,0]=4 13771 B18R3.834565 Nc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100000745022_100010090012 [0,1,0,1,0,0|1,1,0]=4 13772 B18R3.834565 Nc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100010090012_100000745022 [0,1,0,1,0,0|1,1,0]=4 13773 B18R3.834565 Nc1cccc2c1cc(cn2)SCC3CC3 62a_100000756562_100010264086 [0,1,0,1,0,0|1,1,0]=4 13774 B18R3.834565 Nc1cccc2c1cc(cn2)SCC3CC3 62a_100010264086_100000742324 [0,1,0,1,0,0|1,1,0]=4 13775 B18R3.834565 Nc1ccnc2c1cc(cc2)SCC3CC3 62a_100000756562_100011620571 [0,1,0,1,0,0|1,1,0]=4 13776 B18R3.834565 Nc1ccnc2c1cc(cc2)SCC3CC3 62a_100011620571_100000742324 [0,1,0,1,0,0|1,1,0]=4 13777 B18R3.834565 Nc1nccc2c1cc(cc2)SCC3CC3 62a_100000756562_100012352255 [0,1,0,1,0,0|1,1,0]=4 13778 B18R3.834565 Nc1nccc2c1cc(cc2)SCC3CC3 62a_100012352255_100000742324 [0,1,0,1,0,0|1,1,0]=4 13779 B18R3.834565 O=c1[nH]cnc2c1cc(cc2)OCC3CC3 7a_100011934087_100000742324 [0,1,0,1,0,0|2,0,0]=4 13780 B18R3.834565 O=c1cc[nH]c2c1cc(cc2)SCC3CC3 62a_100000756562_100000746092 [0,1,0,1,0,0|1,1,0]=4 13781 B18R3.834565 O=c1ccoc2c1cc(cc2)NCC3CC3 34a_100000088200_100000742324 [0,1,0,1,0,0|2,0,0]=4 13782 B18R3.834565 O=c1ccoc2c1cc(cc2)SCC3CC3 62a_100000756562_100009813387 [0,1,0,1,0,0|1,1,0]=4 13783 B18R3.834565 Oc1cccc2c1cc(cc2)C#CC3CC3 271570a_200009880635_100010089991 [0,1,0,1,0,0|1,0,1]=4 13784 B18R3.834565 Oc1cccc2c1cc(cc2)C=CC3CC3 271570a_100102526188_100010089991 [0,1,0,1,0,0|1,0,1]=4 13785 B18R3.834565 Oc1cccc2c1cc(cc2)NCC3CC3 34a_100132313934_100000742324 [0,1,0,1,0,0|1,0,0]=3 13786 B18R3.834565 Oc1cccc2c1cc(cc2)NCC3CO3 34a_100132313934_102125554688 [0,1,0,1,0,0|2,0,0]=4 13787 B18R3.834565 Oc1cccc2c1cc(cc2)SCC3CC3 62a_100000756562_100010089991 [0,1,0,1,0,0|0,1,0]=3 13788 B18R3.834565 Oc1cccc2c1cc(cc2)SCC3CO3 62a_102125554688_100010089991 [0,1,0,1,0,0|1,1,0]=4 13789 B18R3.834565 Oc1cccc2c1cc(cc2)SCC3CS3 62a_100000031435_100010089991 [0,1,0,1,0,0|1,1,0]=4 13790 B18R3.834565 Oc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100000745022_100010089991 [0,1,0,1,0,0|1,1,0]=4 13791 B18R3.834565 Oc1cccc2c1cc(cn2)SCC3CC3 62a_100000756562_200010153752 [0,1,0,1,0,0|1,1,0]=4 13792 B18R3.834565 Oc1cccc2c1nc(cc2)NCC3CC3 27a_100000735609_100010153751 [0,1,0,1,0,0|2,0,0]=4 13793 B18R3.834565 Oc1cccc2c1nc(cc2)SCC3CC3 62a_100000756562_100000013812 [0,1,0,1,0,0|1,1,0]=4 13794 B18R3.834565 Oc1cncc2c1cc(cc2)SCC3CC3 62a_100000756562_100010136424 [0,1,0,1,0,0|1,1,0]=4 13795 B18R3.834565 Oc1nccc2c1cc(cc2)SCC3CC3 62a_100000756562_100000010956 [0,1,0,1,0,0|1,1,0]=4 13796 B14R1.68 C=CCNc1ccc(cc1)CC(C)C 2230a_100000687309_100000210623 [0,0,1,0,1,0|1,0,1]=4 13797 B14R1.68 C=CCNc1ccc(cc1)CC(C)C 34a_100000687309_100015514636 [0,0,1,0,1,0|1,0,1]=4 13798 B14R1.68 C=CCNc1ccc(cc1)OC(C)C 2230a_100011194259_100000210623 [0,0,1,0,1,0|1,0,1]=4 13799 B14R1.68 C=CCNc1ccc(cc1)OC(C)C 34a_100011194259_100015514636 [0,0,1,0,1,0|1,0,1]=4 13800 B14R1.68 C=CCOc1ccc(cc1)OC(C)C 34a_100000757185_100015514636 [0,0,1,0,1,0|1,0,1]=4 13801 B14R1.68 C=CCOc1ccc(cc1)OC(C)C 7a_100000757185_100015514636 [0,0,1,0,1,0|1,0,1]=4 13802 B14R1.68 C=CCSc1ccc(cc1)CC(C)C 62a_100000210623_100011221366 [0,0,1,0,1,0|1,0,1]=4 13803 B14R1.68 C=CCSc1ccc(cc1)CC(C)C 62a_100011221366_100000210623 [0,0,1,0,1,0|1,0,1]=4 13804 B14R1.68 C=CCSc1ccc(cc1)OC(C)C 62a_100000169947_100000210623 [0,0,1,0,1,0|1,0,1]=4 13805 B14R1.68 C=CCSc1ccc(cc1)OC(C)C 62a_100000210623_100000169947 [0,0,1,0,1,0|1,0,1]=4 13806 B14R1.68 CC(C)Sc1ccc(cc1)/C=C/C=O 62a_100000210206_100016291818 [0,0,1,0,1,0|1,1,0]=4 13807 B14R1.68 CC(C)Sc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210206 [0,0,1,0,1,0|1,1,0]=4 13808 B14R1.96 C=Cc1ccccc1C=NNC(C)C 4a_100000741168_200011996377 [0,0,1,0,1,0|2,0,0]=4 13809 B14R1.96 C=Cc1ccccc1COCC(C)C 34a_200010883148_100000210624 [0,0,1,0,1,0|0,0,1]=3 13810 B14R1.96 C=Cc1ccccc1COCC(C)C 7a_200010883148_100000210760 [0,0,1,0,1,0|0,0,1]=3 13811 B14R1.96 C=Cc1ccccc1COCC(C)O 34a_200010883148_100011218427 [0,0,1,0,1,0|1,0,1]=4 13812 B14R1.96 C=Cc1ccccc1COCC(C)O 7a_200010883148_100011218427 [0,0,1,0,1,0|1,0,1]=4 13813 B14R1.96 C=Cc1ccccc1COC[C@@H](C)O 34a_200010883148_100009817552 [0,0,1,0,1,0|1,0,1]=4 13814 B14R1.96 C=Cc1ccccc1COC[C@@H](C)O 7a_200010883148_100009817552 [0,0,1,0,1,0|1,0,1]=4 13815 B14R1.96 C=Cc1ccccc1NCCC(C)C 34a_100012022501_100000210312 [0,0,1,0,1,0|1,0,1]=4 13816 B14R1.96 C=Cc1ccccc1NCOC(C)C 34a_100012022501_100000709892 [0,0,1,0,1,0|1,0,1]=4 13817 B14R1.96 C=Cc1ccccc1SCCC(C)C 62a_100000210312_100011218376 [0,0,1,0,1,0|1,0,1]=4 13818 B14R1.96 C=Cc1ccccc1SCCC(C)C 62a_100011218376_100000210312 [0,0,1,0,1,0|1,0,1]=4 13819 B14R1.96 C=Cc1ccccc1SCOC(C)C 62a_100000709892_100011218376 [0,0,1,0,1,0|1,0,1]=4 13820 B14R1.96 C=Cc1ccccc1SCOC(C)C 62a_100011218376_100000709892 [0,0,1,0,1,0|1,0,1]=4 13821 B14R1.96 CC(C)CC=Cc1ccccc1C#N 271570a_100016259101_100000188569 [0,0,1,0,1,0|1,0,1]=4 13822 B14R1.96 CC(C)CC=Cc1ccccc1C=O 271570a_100016259101_100000211189 [0,0,1,0,1,0|1,0,0]=3 13823 B14R1.96 CC(C)CC=Cc1ccccc1CN 271570a_100016259101_100000689332 [0,0,1,0,1,0|1,0,1]=4 13824 B14R1.96 CC(C)CC=Cc1ccccc1CO 271570a_100016259101_100000187465 [0,0,1,0,1,0|1,0,1]=4 13825 B14R1.96 CC(C)CC=Cc1ccccc1NN 271570a_100016259101_100000241748 [0,0,1,0,1,0|2,0,0]=4 13826 B14R1.96 CC(C)CC=Cc1cccnc1C=O 271570a_100016259101_100011934733 [0,0,1,0,1,0|2,0,0]=4 13827 B14R1.96 CC(C)CC=Cc1ccncc1C=O 271570a_100016259101_100000050567 [0,0,1,0,1,0|2,0,0]=4 13828 B14R1.96 CC(C)CC=Cc1cnccc1C=O 271570a_100016259101_100011934409 [0,0,1,0,1,0|2,0,0]=4 13829 B14R1.96 CC(C)CC=Cc1ncccc1C=O 271570a_100016259101_100009816751 [0,0,1,0,1,0|2,0,0]=4 13830 B14R1.96 CC(C)COCc1ccccc1C=O 34a_100000210257_200009853537 [0,0,1,0,1,0|1,0,1]=4 13831 B14R1.96 CCc1ccccc1C=CCC(C)C 271570a_100016259101_100011215823 [0,0,1,0,1,0|0,0,2]=4 13832 B14R1.96 CNc1ccccc1C=CCC(C)C 271570a_100016259101_100020606079 [0,0,1,0,1,0|1,0,1]=4 13833 B14R1.96 COc1ccccc1C=CCC(C)C 271570a_100016259101_100000174000 [0,0,1,0,1,0|1,0,1]=4 13834 B14R1.96 CSc1ccccc1C=CCC(C)C 271570a_100016259101_100011217816 [0,0,1,0,1,0|1,0,1]=4 13835 B14R1.439 C=C=Cc1cc(ccc1C)OC(C)C 271570a_100015277604_200010081138 [0,0,1,0,1,0|0,0,2]=4 13836 B14R1.439 CC=Cc1cc(ccc1C)OC(C)C 271570a_100016259895_200010081138 [0,0,1,0,1,0|0,0,2]=4 13837 B14R1.778 C=CCNc1cccc(c1)OC(C)C 2230a_100011194262_100000210623 [0,0,1,0,1,0|1,0,1]=4 13838 B14R1.778 C=CCNc1cccc(c1)OC(C)C 34a_100011194262_100015514636 [0,0,1,0,1,0|1,0,1]=4 13839 B14R1.778 C=CCNc1cccc(c1)OC(C)C 7a_100011194262_100015514636 [0,0,1,0,1,0|1,0,1]=4 13840 B14R1.778 C=CCOc1cccc(c1)OC(C)C 34a_100000753242_100015514636 [0,0,1,0,1,0|1,0,1]=4 13841 B14R1.778 C=CCOc1cccc(c1)OC(C)C 7a_100000753242_100015514636 [0,0,1,0,1,0|1,0,1]=4 13842 B14R1.778 C=CCSc1cccc(c1)CC(C)C 62a_100000210623_100010883412 [0,0,1,0,1,0|1,0,1]=4 13843 B14R1.778 C=CCSc1cccc(c1)CC(C)C 62a_100010883412_100000210623 [0,0,1,0,1,0|1,0,1]=4 13844 B14R1.778 C=CCSc1cccc(c1)OC(C)C 62a_100000170003_100000210623 [0,0,1,0,1,0|1,0,1]=4 13845 B14R1.778 C=CCSc1cccc(c1)OC(C)C 62a_100000210623_100000170003 [0,0,1,0,1,0|1,0,1]=4 13846 B14R1.540 C=CC(=NNC(C)C)c1ccccc1 4a_100000741168_200000750708 [0,0,1,0,1,0|2,0,0]=4 13847 B14R1.540 C=CC(NCC(C)C)c1ccccc1 2230a_100000210953_200000085779 [0,0,1,0,1,0|1,0,1]=4 13848 B14R1.540 C=CC(OCC(C)C)c1ccccc1 34a_100011215659_100000210624 [0,0,1,0,1,0|0,0,1]=3 13849 B14R1.540 C=CC(OCC(C)C)c1ccccc1 7a_100011215659_100000210760 [0,0,1,0,1,0|0,0,1]=3 13850 B14R1.540 C=CC(OCC(C)O)c1ccccc1 34a_100011215659_100011218427 [0,0,1,0,1,0|1,0,1]=4 13851 B14R1.540 C=CC(OCC(C)O)c1ccccc1 7a_100011215659_100011218427 [0,0,1,0,1,0|1,0,1]=4 13852 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 34a_100011215659_100009817552 [0,0,1,0,1,0|1,0,1]=4 13853 B14R1.540 C=CC(OC[C@@H](C)O)c1ccccc1 7a_100011215659_100009817552 [0,0,1,0,1,0|1,0,1]=4 13854 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_100000210624_200000085779 [0,0,1,0,1,0|0,1,1]=4 13855 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_200000085779_100000210760 [0,0,1,0,1,0|0,1,1]=4 13856 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [0,0,1,0,1,0|1,0,0]=3 13857 B14R1.818 CC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000210624 [0,0,1,0,1,0|2,0,0]=4 13858 B14R1.818 CC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000210624 [0,0,1,0,1,0|2,0,0]=4 13859 B14R1.818 CC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000210624 [0,0,1,0,1,0|2,0,0]=4 13860 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [0,0,1,0,1,0|2,0,0]=4 13861 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [0,0,1,0,1,0|2,0,0]=4 13862 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [0,0,1,0,1,0|2,0,0]=4 13863 B14R1.140 C=C=Cc1ccc(cc1F)OC(C)C 271570a_100015277604_200012236954 [0,0,1,0,1,0|1,0,1]=4 13864 B14R1.140 CC=Cc1ccc(cc1F)OC(C)C 271570a_100016259895_200012236954 [0,0,1,0,1,0|1,0,1]=4 13865 B14R1.3651 C=Cc1ccc(cc1C=O)OC(C)C 271570a_100011290941_200012936200 [0,0,1,0,1,0|1,0,0]=3 13866 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,0,1,0|2,0,0]=4 13867 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,0,1,0|2,0,0]=4 13868 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [1,0,0,0,1,0|1,0,0]=3 13869 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [1,0,0,0,1,0|1,0,0]=3 13870 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [1,0,0,0,1,0|1,1,0]=4 13871 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [1,0,0,0,1,0|1,1,0]=4 13872 B14R2.3 CSCOc1csc2c1cccc2 34a_100000077758_100011218213 [1,0,0,0,1,0|2,0,0]=4 13873 B14R2.3 FCCOc1csc2c1cccc2 34a_100000077758_100011217306 [1,0,0,0,1,0|2,0,0]=4 13874 B14R2.3 FCCOc1csc2c1cccc2 7a_100000077758_100011217306 [1,0,0,0,1,0|2,0,0]=4 13875 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [1,0,0,0,1,0|2,0,0]=4 13876 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [1,0,0,0,1,0|2,0,0]=4 13877 B14R2.67 CCCCc1cc2ccccc2[nH]1 271570a_100020621405_100010232065 [1,0,0,0,1,0|2,0,0]=4 13878 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [1,0,0,0,1,0|2,0,0]=4 13879 B14R2.67 CCCCc1cc2ccccc2s1 271570a_100020621405_100009816949 [1,0,0,0,1,0|2,0,0]=4 13880 B14R2.67 CCCSc1cc2ccccc2[nH]1 62a_100000210303_100010232065 [1,0,0,0,1,0|1,1,0]=4 13881 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [1,0,0,0,1,0|1,1,0]=4 13882 B14R2.67 CCCSc1cc2ccccc2s1 62a_100000210303_100009816949 [1,0,0,0,1,0|1,1,0]=4 13883 B14R2.991 CCCCc1ccc2[nH]ccc2c1 271570a_100020621405_100000211741 [1,0,0,0,1,0|2,0,0]=4 13884 B14R2.991 CCCCc1ccc2c(c1)C=CC2 271570a_100020621405_100009814306 [1,0,0,0,1,0|1,0,1]=4 13885 B14R2.991 CCCCc1ccc2c(c1)CC=C2 271570a_100020621405_200009818231 [1,0,0,0,1,0|1,0,1]=4 13886 B14R2.991 CCCCc1ccc2cc[nH]c2c1 271570a_100020621405_100000743809 [1,0,0,0,1,0|2,0,0]=4 13887 B14R2.991 CCCCc1ccc2ccoc2c1 271570a_100020621405_100000759542 [1,0,0,0,1,0|2,0,0]=4 13888 B14R2.991 CCCCc1ccc2ccsc2c1 271570a_100020621405_100009888917 [1,0,0,0,1,0|2,0,0]=4 13889 B14R2.991 CCCCc1ccc2cscc2c1 271570a_100020621405_200010760811 [1,0,0,0,1,0|2,0,0]=4 13890 B14R2.991 CCCCc1ccc2occc2c1 271570a_100020621405_100012343831 [1,0,0,0,1,0|2,0,0]=4 13891 B14R2.991 CCCCc1ccc2sccc2c1 271570a_100020621405_100009814439 [1,0,0,0,1,0|2,0,0]=4 13892 B14R2.991 CCCNc1ccc2ccoc2c1 34a_100000102395_100000210303 [1,0,0,0,1,0|2,0,0]=4 13893 B14R2.991 CCCNc1ccc2occc2c1 34a_106430523501_100000210303 [1,0,0,0,1,0|2,0,0]=4 13894 B14R2.991 CCCNc1ccc2sccc2c1 34a_100000681076_100000210303 [1,0,0,0,1,0|2,0,0]=4 13895 B14R2.991 CCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210303 [1,0,0,0,1,0|1,0,0]=3 13896 B14R2.991 CCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210303 [1,0,0,0,1,0|1,0,0]=3 13897 B14R2.991 CCCOc1ccc2ccoc2c1 34a_100000089557_100000210303 [1,0,0,0,1,0|1,0,0]=3 13898 B14R2.991 CCCOc1ccc2ccoc2c1 7a_100000089557_100000210303 [1,0,0,0,1,0|1,0,0]=3 13899 B14R2.991 CCCOc1ccc2cnoc2c1 34a_100000098417_100000210303 [1,0,0,0,1,0|2,0,0]=4 13900 B14R2.991 CCCOc1ccc2cnoc2c1 7a_100000098417_100000210303 [1,0,0,0,1,0|2,0,0]=4 13901 B14R2.991 CCCOc1ccc2ncsc2c1 34a_100011995850_100000210303 [1,0,0,0,1,0|2,0,0]=4 13902 B14R2.991 CCCOc1ccc2ncsc2c1 7a_100011995850_100000210303 [1,0,0,0,1,0|2,0,0]=4 13903 B14R2.991 CCCOc1ccc2occc2c1 34a_100000070125_100000210303 [1,0,0,0,1,0|1,0,0]=3 13904 B14R2.991 CCCOc1ccc2occc2c1 7a_100000070125_100000210303 [1,0,0,0,1,0|1,0,0]=3 13905 B14R2.991 CCCOc1ccc2sccc2c1 34a_100012180905_100000210303 [1,0,0,0,1,0|1,0,0]=3 13906 B14R2.991 CCCOc1ccc2sccc2c1 7a_100012180905_100000210303 [1,0,0,0,1,0|1,0,0]=3 13907 B14R2.991 CCCOc1ccc2scnc2c1 34a_200009850626_100000210303 [1,0,0,0,1,0|2,0,0]=4 13908 B14R2.991 CCCOc1ccc2scnc2c1 7a_200009850626_100000210303 [1,0,0,0,1,0|2,0,0]=4 13909 B14R2.991 CCCOc1ccn2ccnc2c1 34a_100009863278_100000210303 [1,0,0,0,1,0|2,0,0]=4 13910 B14R2.991 CCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210303 [1,0,0,0,1,0|2,0,0]=4 13911 B14R2.991 CCCSc1ccc2[nH]ccc2c1 62a_100000210303_100000035808 [1,0,0,0,1,0|1,1,0]=4 13912 B14R2.991 CCCSc1ccc2c(c1)C=CC2 62a_100000210303_100009814306 [1,0,0,0,1,0|0,1,1]=4 13913 B14R2.991 CCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210303 [1,0,0,0,1,0|0,1,1]=4 13914 B14R2.991 CCCSc1ccc2c(c1)CC=C2 62a_100000210303_200009818231 [1,0,0,0,1,0|0,1,1]=4 13915 B14R2.991 CCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210303 [1,0,0,0,1,0|0,1,1]=4 13916 B14R2.991 CCCSc1ccc2cc[nH]c2c1 62a_100000210303_100000743809 [1,0,0,0,1,0|1,1,0]=4 13917 B14R2.991 CCCSc1ccc2ccoc2c1 62a_100000210303_100000759542 [1,0,0,0,1,0|1,1,0]=4 13918 B14R2.991 CCCSc1ccc2ccsc2c1 62a_100000210303_100009888917 [1,0,0,0,1,0|1,1,0]=4 13919 B14R2.991 CCCSc1ccc2cscc2c1 62a_100000210303_200010760811 [1,0,0,0,1,0|1,1,0]=4 13920 B14R2.991 CCCSc1ccc2occc2c1 62a_100000210303_100000691453 [1,0,0,0,1,0|1,1,0]=4 13921 B14R2.991 CCCSc1ccc2sccc2c1 62a_100000210303_100009814439 [1,0,0,0,1,0|1,1,0]=4 13922 B14R2.991 CSCOc1ccc2[nH]ccc2c1 34a_100000756620_100011218213 [1,0,0,0,1,0|2,0,0]=4 13923 B14R2.991 CSCOc1ccc2cc[nH]c2c1 34a_100000036713_100011218213 [1,0,0,0,1,0|2,0,0]=4 13924 B14R2.991 CSCOc1ccc2ccoc2c1 34a_100000089557_100011218213 [1,0,0,0,1,0|2,0,0]=4 13925 B14R2.991 CSCOc1ccc2occc2c1 34a_100000070125_100011218213 [1,0,0,0,1,0|2,0,0]=4 13926 B14R2.991 CSCOc1ccc2sccc2c1 34a_100012180905_100011218213 [1,0,0,0,1,0|2,0,0]=4 13927 B14R2.991 FCCOc1ccc2[nH]ccc2c1 34a_100000756620_100011217306 [1,0,0,0,1,0|2,0,0]=4 13928 B14R2.991 FCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011217306 [1,0,0,0,1,0|2,0,0]=4 13929 B14R2.991 FCCOc1ccc2ccoc2c1 34a_100000089557_100011217306 [1,0,0,0,1,0|2,0,0]=4 13930 B14R2.991 FCCOc1ccc2ccoc2c1 7a_100000089557_100011217306 [1,0,0,0,1,0|2,0,0]=4 13931 B14R2.991 FCCOc1ccc2occc2c1 34a_100000070125_100011217306 [1,0,0,0,1,0|2,0,0]=4 13932 B14R2.991 FCCOc1ccc2occc2c1 7a_100000070125_100011217306 [1,0,0,0,1,0|2,0,0]=4 13933 B14R2.991 FCCOc1ccc2sccc2c1 34a_100012180905_100011217306 [1,0,0,0,1,0|2,0,0]=4 13934 B14R2.991 FCCOc1ccc2sccc2c1 7a_100012180905_100011217306 [1,0,0,0,1,0|2,0,0]=4 13935 B14R2.991 OCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000211926 [1,0,0,0,1,0|2,0,0]=4 13936 B14R2.991 OCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000211926 [1,0,0,0,1,0|2,0,0]=4 13937 B14R2.991 OCCOc1ccc2ccoc2c1 34a_100000089557_100000211926 [1,0,0,0,1,0|2,0,0]=4 13938 B14R2.991 OCCOc1ccc2ccoc2c1 7a_100000089557_100000211926 [1,0,0,0,1,0|2,0,0]=4 13939 B14R2.991 OCCOc1ccc2occc2c1 34a_100000070125_100000211926 [1,0,0,0,1,0|2,0,0]=4 13940 B14R2.991 OCCOc1ccc2occc2c1 7a_100000070125_100000211926 [1,0,0,0,1,0|2,0,0]=4 13941 B14R2.991 OCCOc1ccc2sccc2c1 34a_100012180905_100000211926 [1,0,0,0,1,0|2,0,0]=4 13942 B14R2.991 OCCOc1ccc2sccc2c1 7a_100012180905_100000211926 [1,0,0,0,1,0|2,0,0]=4 13943 B14R2.2 CC(C)Oc1csc2c1cccc2 34a_100000077758_100000210206 [0,0,0,0,2,0|1,0,0]=3 13944 B14R2.2 CC(C)Oc1csc2c1cccc2 7a_100000077758_100000210206 [0,0,0,0,2,0|1,0,0]=3 13945 B14R2.2 CC(C)Sc1coc2c1cccc2 62a_100000210206_100009812202 [0,0,0,0,2,0|1,1,0]=4 13946 B14R2.2 CC(C)Sc1csc2c1cccc2 62a_100000210206_100009813928 [0,0,0,0,2,0|1,1,0]=4 13947 B14R2.2 CN(C)Cc1coc2c1cccc2 270004a_100102631434_100000688544 [0,0,0,0,2,0|2,0,0]=4 13948 B14R2.2 CN(C)Cc1csc2c1cccc2 2230a_100102631434_200000742921 [0,0,0,0,2,0|2,0,0]=4 13949 B14R2.2 CN(C)Cc1csc2c1cccc2 269982a_100102631434_200000742921 [0,0,0,0,2,0|2,0,0]=4 13950 B14R2.2 CN(C)Cc1csc2c1cccc2 270004a_100102631434_100000239721 [0,0,0,0,2,0|2,0,0]=4 13951 B14R2.768 CC(C)Sc1cc2ccccc2[nH]1 62a_100000210206_100010232065 [0,0,0,0,2,0|1,1,0]=4 13952 B14R2.768 CC(C)Sc1cc2ccccc2o1 62a_100000210206_100010159458 [0,0,0,0,2,0|1,1,0]=4 13953 B14R2.768 CC(C)Sc1cc2ccccc2s1 62a_100000210206_100009816949 [0,0,0,0,2,0|1,1,0]=4 13954 B14R2.768 CN(C)Cc1cc2ccccc2[nH]1 2230a_100000685833_200000210301 [0,0,0,0,2,0|2,0,0]=4 13955 B14R2.768 CN(C)Cc1cc2ccccc2[nH]1 269982a_100000685833_200000210301 [0,0,0,0,2,0|2,0,0]=4 13956 B14R2.768 CN(C)Cc1cc2ccccc2[nH]1 270004a_100102631434_100000051030 [0,0,0,0,2,0|2,0,0]=4 13957 B14R2.768 CN(C)Cc1cc2ccccc2o1 270004a_100102631434_100000229944 [0,0,0,0,2,0|2,0,0]=4 13958 B14R2.768 CN(C)Cc1cc2ccccc2s1 2230a_100015183267_200000210301 [0,0,0,0,2,0|2,0,0]=4 13959 B14R2.768 CN(C)Cc1cc2ccccc2s1 269982a_100015183267_200000210301 [0,0,0,0,2,0|2,0,0]=4 13960 B14R2.768 CN(C)Cc1cc2ccccc2s1 270004a_100102631434_100000686906 [0,0,0,0,2,0|2,0,0]=4 13961 B14R2.768 CN([13CH3])Cc1cc2ccccc2[nH]1 2230a_100000685833_200025704644 [0,0,0,0,2,0|2,0,0]=4 13962 B14R2.768 CN([13CH3])Cc1cc2ccccc2[nH]1 269982a_100000685833_200025704644 [0,0,0,0,2,0|2,0,0]=4 13963 B14R2.768 CN([13CH3])Cc1cc2ccccc2s1 2230a_100015183267_200025704644 [0,0,0,0,2,0|2,0,0]=4 13964 B14R2.768 CN([13CH3])Cc1cc2ccccc2s1 269982a_100015183267_200025704644 [0,0,0,0,2,0|2,0,0]=4 13965 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,0,0,0,2,0|0,0,2]=4 13966 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,0,0,0,2,0|1,0,1]=4 13967 B14R2.781 CN(C)c1ccc2ccccc2c1 2230a_100000181211_200000210301 [0,0,0,0,2,0|1,0,0]=3 13968 B14R2.781 CN(C)c1ccc2ccccc2c1 269982a_100000181211_200000210301 [0,0,0,0,2,0|1,0,0]=3 13969 B14R2.781 CN(C)c1ccc2ccccc2c1 34a_100000181211_200000210301 [0,0,0,0,2,0|1,0,0]=3 13970 B14R2.781 CN(C)c1ccc2ccccc2n1 27a_100102631434_100011291633 [0,0,0,0,2,0|2,0,0]=4 13971 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 2230a_100000181211_200025704644 [0,0,0,0,2,0|1,0,0]=3 13972 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 269982a_100000181211_200025704644 [0,0,0,0,2,0|1,0,0]=3 13973 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 34a_100000181211_200025704644 [0,0,0,0,2,0|1,0,0]=3 13974 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,0,0,0,2,0|1,0,1]=4 13975 B14R2.1008 CC(C)Nc1ccc2ccoc2c1 34a_100000102395_100000210206 [0,0,0,0,2,0|2,0,0]=4 13976 B14R2.1008 CC(C)Nc1ccc2occc2c1 34a_106430523501_100000210206 [0,0,0,0,2,0|2,0,0]=4 13977 B14R2.1008 CC(C)Nc1ccc2sccc2c1 34a_100000681076_100000210206 [0,0,0,0,2,0|2,0,0]=4 13978 B14R2.1008 CC(C)Oc1ccc2[nH]ccc2c1 34a_100000756620_100000210206 [0,0,0,0,2,0|1,0,0]=3 13979 B14R2.1008 CC(C)Oc1ccc2cc[nH]c2c1 34a_100000036713_100000210206 [0,0,0,0,2,0|1,0,0]=3 13980 B14R2.1008 CC(C)Oc1ccc2ccoc2c1 34a_100000089557_100000210206 [0,0,0,0,2,0|1,0,0]=3 13981 B14R2.1008 CC(C)Oc1ccc2ccoc2c1 7a_100000089557_100000210206 [0,0,0,0,2,0|1,0,0]=3 13982 B14R2.1008 CC(C)Oc1ccc2cnoc2c1 34a_100000098417_100000210206 [0,0,0,0,2,0|2,0,0]=4 13983 B14R2.1008 CC(C)Oc1ccc2cnoc2c1 7a_100000098417_100000210206 [0,0,0,0,2,0|2,0,0]=4 13984 B14R2.1008 CC(C)Oc1ccc2ncsc2c1 34a_100011995850_100000210206 [0,0,0,0,2,0|2,0,0]=4 13985 B14R2.1008 CC(C)Oc1ccc2ncsc2c1 7a_100011995850_100000210206 [0,0,0,0,2,0|2,0,0]=4 13986 B14R2.1008 CC(C)Oc1ccc2occc2c1 34a_100000070125_100000210206 [0,0,0,0,2,0|1,0,0]=3 13987 B14R2.1008 CC(C)Oc1ccc2occc2c1 7a_100000070125_100000210206 [0,0,0,0,2,0|1,0,0]=3 13988 B14R2.1008 CC(C)Oc1ccc2sccc2c1 34a_100012180905_100000210206 [0,0,0,0,2,0|1,0,0]=3 13989 B14R2.1008 CC(C)Oc1ccc2sccc2c1 7a_100012180905_100000210206 [0,0,0,0,2,0|1,0,0]=3 13990 B14R2.1008 CC(C)Oc1ccc2scnc2c1 34a_200009850626_100000210206 [0,0,0,0,2,0|2,0,0]=4 13991 B14R2.1008 CC(C)Oc1ccc2scnc2c1 7a_200009850626_100000210206 [0,0,0,0,2,0|2,0,0]=4 13992 B14R2.1008 CC(C)Oc1ccn2ccnc2c1 34a_100009863278_100000210206 [0,0,0,0,2,0|2,0,0]=4 13993 B14R2.1008 CC(C)Oc1cnc2[nH]ccc2c1 34a_100000087691_100000210206 [0,0,0,0,2,0|2,0,0]=4 13994 B14R2.1008 CC(C)Sc1ccc2[nH]ccc2c1 62a_100000210206_100000035808 [0,0,0,0,2,0|1,1,0]=4 13995 B14R2.1008 CC(C)Sc1ccc2c(c1)C=CC2 62a_100000210206_100009814306 [0,0,0,0,2,0|0,1,1]=4 13996 B14R2.1008 CC(C)Sc1ccc2c(c1)C=CC2 62a_100009814306_100000210206 [0,0,0,0,2,0|0,1,1]=4 13997 B14R2.1008 CC(C)Sc1ccc2c(c1)CC=C2 62a_100000210206_200009818231 [0,0,0,0,2,0|0,1,1]=4 13998 B14R2.1008 CC(C)Sc1ccc2c(c1)CC=C2 62a_200009818231_100000210206 [0,0,0,0,2,0|0,1,1]=4 13999 B14R2.1008 CC(C)Sc1ccc2cc[nH]c2c1 62a_100000210206_100000743809 [0,0,0,0,2,0|1,1,0]=4 14000 B14R2.1008 CC(C)Sc1ccc2ccoc2c1 62a_100000210206_100000759542 [0,0,0,0,2,0|1,1,0]=4 14001 B14R2.1008 CC(C)Sc1ccc2ccsc2c1 62a_100000210206_100009888917 [0,0,0,0,2,0|1,1,0]=4 14002 B14R2.1008 CC(C)Sc1ccc2cscc2c1 62a_100000210206_200010760811 [0,0,0,0,2,0|1,1,0]=4 14003 B14R2.1008 CC(C)Sc1ccc2occc2c1 62a_100000210206_100000691453 [0,0,0,0,2,0|1,1,0]=4 14004 B14R2.1008 CC(C)Sc1ccc2sccc2c1 62a_100000210206_100009814439 [0,0,0,0,2,0|1,1,0]=4 14005 B14R2.1008 CN(C)Cc1ccc2[nH]ccc2c1 2230a_100011912550_200000210301 [0,0,0,0,2,0|2,0,0]=4 14006 B14R2.1008 CN(C)Cc1ccc2[nH]ccc2c1 269982a_100011912550_200000210301 [0,0,0,0,2,0|2,0,0]=4 14007 B14R2.1008 CN(C)Cc1ccc2[nH]ccc2c1 270004a_100102631434_100011197475 [0,0,0,0,2,0|2,0,0]=4 14008 B14R2.1008 CN(C)Cc1ccc2cc[nH]c2c1 270004a_100102631434_100011218920 [0,0,0,0,2,0|2,0,0]=4 14009 B14R2.1008 CN(C)Cc1ccc2ccsc2c1 270004a_100102631434_100000112508 [0,0,0,0,2,0|2,0,0]=4 14010 B14R2.1008 CN(C)Cc1ccc2occc2c1 270004a_100102631434_100000040644 [0,0,0,0,2,0|2,0,0]=4 14011 B14R2.1008 CN(C)Cc1ccc2sccc2c1 270004a_100102631434_100000050658 [0,0,0,0,2,0|2,0,0]=4 14012 B14R2.1008 CN([13CH3])Cc1ccc2[nH]ccc2c1 2230a_100011912550_200025704644 [0,0,0,0,2,0|2,0,0]=4 14013 B14R2.1008 CN([13CH3])Cc1ccc2[nH]ccc2c1 269982a_100011912550_200025704644 [0,0,0,0,2,0|2,0,0]=4 14014 B16R1.70 CC(C)CCSc1ccc(cc1)/C=C/C=O 62a_100000210312_100016291818 [0,0,1,0,0,1|1,1,0]=4 14015 B16R1.70 CC(C)CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210312 [0,0,1,0,0,1|1,1,0]=4 14016 B16R1.70 CC(C)OCSc1ccc(cc1)/C=C/C=O 62a_100000709892_100016291818 [0,0,1,0,0,1|1,1,0]=4 14017 B16R1.70 CC(C)OCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000709892 [0,0,1,0,0,1|1,1,0]=4 14018 B16R1.1234 C=CCNc1cccc(c1)OCCC(C)C 34a_100000745618_100015514636 [0,0,1,0,0,1|1,0,1]=4 14019 B16R1.1234 C=CCNc1cccc(c1)OCCC(C)C 7a_100000745618_100015514636 [0,0,1,0,0,1|1,0,1]=4 14020 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,0,1,0,0,1|2,0,0]=4 14021 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,0,1,0,0,1|2,0,0]=4 14022 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,0,1,0,0,1|2,0,0]=4 14023 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccc1 22a_100000696102_100000210462 [0,0,1,0,0,1|2,0,0]=4 14024 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211751 [0,0,1,0,0,1|2,0,0]=4 14025 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730970 [0,0,1,0,0,1|2,0,0]=4 14026 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000181311_100016265936 [0,0,1,0,0,1|2,0,0]=4 14027 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210312 [0,0,1,0,0,1|2,0,0]=4 14028 B16R1.18213 CC(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210312 [0,0,1,0,0,1|2,0,0]=4 14029 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 11a_100000210953_100011219626 [0,0,1,0,0,1|2,0,0]=4 14030 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000210953_100011219626 [0,0,1,0,0,1|2,0,0]=4 14031 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000210953_100011219626 [0,0,1,0,0,1|2,0,0]=4 14032 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 11a_100000210953_100016262050 [0,0,1,0,0,1|2,0,0]=4 14033 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 1626a_100000210953_100016262050 [0,0,1,0,0,1|2,0,0]=4 14034 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 240690a_100000210953_100016262050 [0,0,1,0,0,1|2,0,0]=4 14035 B16R2.27160 CC(=CCOc1ccc2[nH]ccc2c1)C 34a_100000756620_100000761012 [0,0,0,0,1,1|1,0,1]=4 14036 B16R2.27160 CC(=CCOc1ccc2cc[nH]c2c1)C 34a_100000036713_100000761012 [0,0,0,0,1,1|1,0,1]=4 14037 B16R2.27160 CC(=CCOc1ccc2ccoc2c1)C 34a_100000089557_100000761012 [0,0,0,0,1,1|1,0,1]=4 14038 B16R2.27160 CC(=CCOc1ccc2ccoc2c1)C 7a_100000089557_100000761012 [0,0,0,0,1,1|1,0,1]=4 14039 B16R2.27160 CC(=CCOc1ccc2occc2c1)C 34a_100000070125_100000761012 [0,0,0,0,1,1|1,0,1]=4 14040 B16R2.27160 CC(=CCOc1ccc2occc2c1)C 7a_100000070125_100000761012 [0,0,0,0,1,1|1,0,1]=4 14041 B16R2.27160 CC(=CCOc1ccc2sccc2c1)C 34a_100012180905_100000761012 [0,0,0,0,1,1|1,0,1]=4 14042 B16R2.27160 CC(=CCOc1ccc2sccc2c1)C 7a_100012180905_100000761012 [0,0,0,0,1,1|1,0,1]=4 14043 B16R2.27160 CC(C)CC=Cc1ccc2[nH]ccc2c1 271570a_100016259101_100000211741 [0,0,0,0,1,1|2,0,0]=4 14044 B16R2.27160 CC(C)CC=Cc1ccc2c(c1)C=CC2 271570a_100016259101_100009814306 [0,0,0,0,1,1|1,0,1]=4 14045 B16R2.27160 CC(C)CC=Cc1ccc2c(c1)CC=C2 271570a_100016259101_200009818231 [0,0,0,0,1,1|1,0,1]=4 14046 B16R2.27160 CC(C)CC=Cc1ccc2cc[nH]c2c1 271570a_100016259101_100000743809 [0,0,0,0,1,1|2,0,0]=4 14047 B16R2.27160 CC(C)CC=Cc1ccc2ccoc2c1 271570a_100016259101_100000759542 [0,0,0,0,1,1|2,0,0]=4 14048 B16R2.27160 CC(C)CC=Cc1ccc2ccsc2c1 271570a_100016259101_100009888917 [0,0,0,0,1,1|2,0,0]=4 14049 B16R2.27160 CC(C)CC=Cc1ccc2cscc2c1 271570a_100016259101_200010760811 [0,0,0,0,1,1|2,0,0]=4 14050 B16R2.27160 CC(C)CC=Cc1ccc2occc2c1 271570a_100016259101_100012343831 [0,0,0,0,1,1|2,0,0]=4 14051 B16R2.27160 CC(C)CC=Cc1ccc2sccc2c1 271570a_100016259101_100009814439 [0,0,0,0,1,1|2,0,0]=4 14052 B16R2.27160 CC(C)CCNc1ccc2ccoc2c1 34a_100000102395_100000210312 [0,0,0,0,1,1|2,0,0]=4 14053 B16R2.27160 CC(C)CCNc1ccc2occc2c1 34a_106430523501_100000210312 [0,0,0,0,1,1|2,0,0]=4 14054 B16R2.27160 CC(C)CCNc1ccc2sccc2c1 34a_100000681076_100000210312 [0,0,0,0,1,1|2,0,0]=4 14055 B16R2.27160 CC(C)CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210312 [0,0,0,0,1,1|1,0,0]=3 14056 B16R2.27160 CC(C)CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210312 [0,0,0,0,1,1|1,0,0]=3 14057 B16R2.27160 CC(C)CCOc1ccc2ccoc2c1 34a_100000089557_100000210312 [0,0,0,0,1,1|1,0,0]=3 14058 B16R2.27160 CC(C)CCOc1ccc2ccoc2c1 7a_100000089557_100000210626 [0,0,0,0,1,1|1,0,0]=3 14059 B16R2.27160 CC(C)CCOc1ccc2cnoc2c1 34a_100000098417_100000210312 [0,0,0,0,1,1|2,0,0]=4 14060 B16R2.27160 CC(C)CCOc1ccc2cnoc2c1 7a_100000098417_100000210626 [0,0,0,0,1,1|2,0,0]=4 14061 B16R2.27160 CC(C)CCOc1ccc2ncsc2c1 34a_100011995850_100000210312 [0,0,0,0,1,1|2,0,0]=4 14062 B16R2.27160 CC(C)CCOc1ccc2ncsc2c1 7a_100011995850_100000210626 [0,0,0,0,1,1|2,0,0]=4 14063 B16R2.27160 CC(C)CCOc1ccc2occc2c1 34a_100000070125_100000210312 [0,0,0,0,1,1|1,0,0]=3 14064 B16R2.27160 CC(C)CCOc1ccc2occc2c1 7a_100000070125_100000210626 [0,0,0,0,1,1|1,0,0]=3 14065 B16R2.27160 CC(C)CCOc1ccc2sccc2c1 34a_100012180905_100000210312 [0,0,0,0,1,1|1,0,0]=3 14066 B16R2.27160 CC(C)CCOc1ccc2sccc2c1 7a_100012180905_100000210626 [0,0,0,0,1,1|1,0,0]=3 14067 B16R2.27160 CC(C)CCOc1ccc2scnc2c1 34a_200009850626_100000210312 [0,0,0,0,1,1|2,0,0]=4 14068 B16R2.27160 CC(C)CCOc1ccc2scnc2c1 7a_200009850626_100000210626 [0,0,0,0,1,1|2,0,0]=4 14069 B16R2.27160 CC(C)CCOc1ccn2ccnc2c1 34a_100009863278_100000210312 [0,0,0,0,1,1|2,0,0]=4 14070 B16R2.27160 CC(C)CCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210312 [0,0,0,0,1,1|2,0,0]=4 14071 B16R2.27160 CC(C)CCSc1ccc2[nH]ccc2c1 62a_100000210312_100000035808 [0,0,0,0,1,1|1,1,0]=4 14072 B16R2.27160 CC(C)CCSc1ccc2c(c1)C=CC2 62a_100000210312_100009814306 [0,0,0,0,1,1|0,1,1]=4 14073 B16R2.27160 CC(C)CCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210312 [0,0,0,0,1,1|0,1,1]=4 14074 B16R2.27160 CC(C)CCSc1ccc2c(c1)CC=C2 62a_100000210312_200009818231 [0,0,0,0,1,1|0,1,1]=4 14075 B16R2.27160 CC(C)CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210312 [0,0,0,0,1,1|0,1,1]=4 14076 B16R2.27160 CC(C)CCSc1ccc2cc[nH]c2c1 62a_100000210312_100000743809 [0,0,0,0,1,1|1,1,0]=4 14077 B16R2.27160 CC(C)CCSc1ccc2ccoc2c1 62a_100000210312_100000759542 [0,0,0,0,1,1|1,1,0]=4 14078 B16R2.27160 CC(C)CCSc1ccc2occc2c1 62a_100000210312_100000691453 [0,0,0,0,1,1|1,1,0]=4 14079 B16R2.27160 CC(C)CNCc1ccc2[nH]ccc2c1 207a_100000210953_100011197475 [0,0,0,0,1,1|2,0,0]=4 14080 B16R2.27160 CC(C)CNCc1ccc2[nH]ccc2c1 270004a_100000210953_100011197475 [0,0,0,0,1,1|2,0,0]=4 14081 B16R2.27160 CC(C)CNCc1ccc2[nH]ccc2c1 270004a_100011837653_100000210432 [0,0,0,0,1,1|2,0,0]=4 14082 B16R2.27160 CC(C)CNCc1ccc2cc[nH]c2c1 207a_100000210953_100011218920 [0,0,0,0,1,1|2,0,0]=4 14083 B16R2.27160 CC(C)CNCc1ccc2cc[nH]c2c1 270004a_100000210953_100011218920 [0,0,0,0,1,1|2,0,0]=4 14084 B16R2.27160 CC(C)CNCc1ccc2cc[nH]c2c1 270004a_100011912548_100000210432 [0,0,0,0,1,1|2,0,0]=4 14085 B16R2.27160 CC(C)CNCc1ccc2ccsc2c1 207a_100000210953_100000112508 [0,0,0,0,1,1|2,0,0]=4 14086 B16R2.27160 CC(C)CNCc1ccc2ccsc2c1 270004a_100000210953_100000112508 [0,0,0,0,1,1|2,0,0]=4 14087 B16R2.27160 CC(C)CNCc1ccc2occc2c1 207a_100000210953_100000040644 [0,0,0,0,1,1|2,0,0]=4 14088 B16R2.27160 CC(C)CNCc1ccc2occc2c1 2230a_100020591328_100000210760 [0,0,0,0,1,1|2,0,0]=4 14089 B16R2.27160 CC(C)CNCc1ccc2occc2c1 26a_100000210953_100000070125 [0,0,0,0,1,1|2,0,0]=4 14090 B16R2.27160 CC(C)CNCc1ccc2occc2c1 270004a_100000210953_100000040644 [0,0,0,0,1,1|2,0,0]=4 14091 B16R2.27160 CC(C)CNCc1ccc2occc2c1 270004a_100020591328_100000210432 [0,0,0,0,1,1|2,0,0]=4 14092 B16R2.27160 CC(C)CNCc1ccc2occc2c1 34a_100020591328_100000210624 [0,0,0,0,1,1|2,0,0]=4 14093 B16R2.27160 CC(C)CNCc1ccc2sccc2c1 207a_100000210953_100000050658 [0,0,0,0,1,1|2,0,0]=4 14094 B16R2.27160 CC(C)CNCc1ccc2sccc2c1 2230a_100000732457_100000210760 [0,0,0,0,1,1|2,0,0]=4 14095 B16R2.27160 CC(C)CNCc1ccc2sccc2c1 270004a_100000210953_100000050658 [0,0,0,0,1,1|2,0,0]=4 14096 B16R2.27160 CC(C)CNCc1ccc2sccc2c1 270004a_100000732457_100000210432 [0,0,0,0,1,1|2,0,0]=4 14097 B16R2.27160 CC(C)CNCc1ccc2sccc2c1 34a_100000732457_100000210624 [0,0,0,0,1,1|2,0,0]=4 14098 B16R2.27160 CC(C)COCc1ccc2ccoc2c1 34a_200009859634_100000210624 [0,0,0,0,1,1|1,0,0]=3 14099 B16R2.27160 CC(C)COCc1ccc2ccoc2c1 7a_200009859634_100000210760 [0,0,0,0,1,1|1,0,0]=3 14100 B16R2.27160 CC(C)COCc1ccc2ccsc2c1 34a_100010262773_100000210624 [0,0,0,0,1,1|1,0,0]=3 14101 B16R2.27160 CC(C)COCc1ccc2ccsc2c1 7a_100010262773_100000210760 [0,0,0,0,1,1|1,0,0]=3 14102 B16R2.27160 CC(C)COCc1ccc2cn[nH]c2c1 34a_100000210257_100020605281 [0,0,0,0,1,1|2,0,0]=4 14103 B16R2.27160 CC(C)COCc1ccc2ncoc2c1 34a_100000210257_106359897996 [0,0,0,0,1,1|2,0,0]=4 14104 B16R2.27160 CC(C)COCc1ccc2ncsc2c1 34a_100000210257_100009847474 [0,0,0,0,1,1|2,0,0]=4 14105 B16R2.27160 CC(C)COCc1ccc2occc2c1 34a_100000067418_100000210624 [0,0,0,0,1,1|1,0,0]=3 14106 B16R2.27160 CC(C)COCc1ccc2occc2c1 7a_100000067418_100000210760 [0,0,0,0,1,1|1,0,0]=3 14107 B16R2.27160 CC(C)COCc1ccc2ocnc2c1 34a_100000210257_200010203175 [0,0,0,0,1,1|2,0,0]=4 14108 B16R2.27160 CC(C)COCc1ccc2sccc2c1 34a_100000068000_100000210624 [0,0,0,0,1,1|1,0,0]=3 14109 B16R2.27160 CC(C)COCc1ccc2sccc2c1 7a_100000068000_100000210760 [0,0,0,0,1,1|1,0,0]=3 14110 B16R2.27160 CC(C)COCc1ccc2scnc2c1 34a_100009883289_100000210624 [0,0,0,0,1,1|2,0,0]=4 14111 B16R2.27160 CC(C)OCCc1ccc2sccc2c1 34a_100000087132_100000210206 [0,0,0,0,1,1|2,0,0]=4 14112 B16R2.27160 CC(C)OCCc1ccc2sccc2c1 7a_100000087132_100000210206 [0,0,0,0,1,1|2,0,0]=4 14113 B16R2.27160 CC(C)OCNc1ccc2ccoc2c1 34a_100000102395_100000709892 [0,0,0,0,1,1|2,0,0]=4 14114 B16R2.27160 CC(C)OCNc1ccc2occc2c1 34a_106430523501_100000709892 [0,0,0,0,1,1|2,0,0]=4 14115 B16R2.27160 CC(C)OCNc1ccc2sccc2c1 34a_100000681076_100000709892 [0,0,0,0,1,1|2,0,0]=4 14116 B16R2.27160 CC(C)OCOc1ccc2[nH]ccc2c1 34a_100000756620_100000709892 [0,0,0,0,1,1|1,0,0]=3 14117 B16R2.27160 CC(C)OCOc1ccc2cc[nH]c2c1 34a_100000036713_100000709892 [0,0,0,0,1,1|1,0,0]=3 14118 B16R2.27160 CC(C)OCOc1ccc2ccoc2c1 34a_100000089557_100000709892 [0,0,0,0,1,1|1,0,0]=3 14119 B16R2.27160 CC(C)OCOc1ccc2cnoc2c1 34a_100000098417_100000709892 [0,0,0,0,1,1|2,0,0]=4 14120 B16R2.27160 CC(C)OCOc1ccc2ncsc2c1 34a_100011995850_100000709892 [0,0,0,0,1,1|2,0,0]=4 14121 B16R2.27160 CC(C)OCOc1ccc2occc2c1 34a_100000070125_100000709892 [0,0,0,0,1,1|1,0,0]=3 14122 B16R2.27160 CC(C)OCOc1ccc2sccc2c1 34a_100012180905_100000709892 [0,0,0,0,1,1|1,0,0]=3 14123 B16R2.27160 CC(C)OCOc1ccc2scnc2c1 34a_200009850626_100000709892 [0,0,0,0,1,1|2,0,0]=4 14124 B16R2.27160 CC(C)OCOc1ccn2ccnc2c1 34a_100009863278_100000709892 [0,0,0,0,1,1|2,0,0]=4 14125 B16R2.27160 CC(C)OCOc1cnc2[nH]ccc2c1 34a_100000087691_100000709892 [0,0,0,0,1,1|2,0,0]=4 14126 B16R2.27160 CC(C)OCSc1ccc2[nH]ccc2c1 62a_100000709892_100000035808 [0,0,0,0,1,1|1,1,0]=4 14127 B16R2.27160 CC(C)OCSc1ccc2c(c1)C=CC2 62a_100000709892_100009814306 [0,0,0,0,1,1|0,1,1]=4 14128 B16R2.27160 CC(C)OCSc1ccc2c(c1)C=CC2 62a_100009814306_100000709892 [0,0,0,0,1,1|0,1,1]=4 14129 B16R2.27160 CC(C)OCSc1ccc2c(c1)CC=C2 62a_100000709892_200009818231 [0,0,0,0,1,1|0,1,1]=4 14130 B16R2.27160 CC(C)OCSc1ccc2c(c1)CC=C2 62a_200009818231_100000709892 [0,0,0,0,1,1|0,1,1]=4 14131 B16R2.27160 CC(C)OCSc1ccc2cc[nH]c2c1 62a_100000709892_100000743809 [0,0,0,0,1,1|1,1,0]=4 14132 B16R2.27160 CC(C)OCSc1ccc2ccoc2c1 62a_100000709892_100000759542 [0,0,0,0,1,1|1,1,0]=4 14133 B16R2.27160 CC(C)OCSc1ccc2ccsc2c1 62a_100000709892_100009888917 [0,0,0,0,1,1|1,1,0]=4 14134 B16R2.27160 CC(C)OCSc1ccc2cscc2c1 62a_100000709892_200010760811 [0,0,0,0,1,1|1,1,0]=4 14135 B16R2.27160 CC(C)OCSc1ccc2occc2c1 62a_100000709892_100000691453 [0,0,0,0,1,1|1,1,0]=4 14136 B16R2.27160 CC(C)OCSc1ccc2sccc2c1 62a_100000709892_100009814439 [0,0,0,0,1,1|1,1,0]=4 14137 B16R2.27160 CC(O)CCOc1ccc2[nH]ccc2c1 34a_100000756620_100012276601 [0,0,0,0,1,1|2,0,0]=4 14138 B16R2.27160 CC(O)CCOc1ccc2cc[nH]c2c1 34a_100000036713_100012276601 [0,0,0,0,1,1|2,0,0]=4 14139 B16R2.27160 CC(O)CCOc1ccc2ccoc2c1 34a_100000089557_100012276601 [0,0,0,0,1,1|2,0,0]=4 14140 B16R2.27160 CC(O)CCOc1ccc2ccoc2c1 7a_100000089557_100012276601 [0,0,0,0,1,1|2,0,0]=4 14141 B16R2.27160 CC(O)CCOc1ccc2occc2c1 34a_100000070125_100012276601 [0,0,0,0,1,1|2,0,0]=4 14142 B16R2.27160 CC(O)CCOc1ccc2occc2c1 7a_100000070125_100012276601 [0,0,0,0,1,1|2,0,0]=4 14143 B16R2.27160 CC(O)CCOc1ccc2sccc2c1 34a_100012180905_100012276601 [0,0,0,0,1,1|2,0,0]=4 14144 B16R2.27160 CC(O)CCOc1ccc2sccc2c1 7a_100012180905_100012276601 [0,0,0,0,1,1|2,0,0]=4 14145 B16R2.27160 CC(O)COCc1ccc2ccoc2c1 34a_200009859634_100011218427 [0,0,0,0,1,1|2,0,0]=4 14146 B16R2.27160 CC(O)COCc1ccc2ccoc2c1 7a_200009859634_100011218427 [0,0,0,0,1,1|2,0,0]=4 14147 B16R2.27160 CC(O)COCc1ccc2ccsc2c1 34a_100010262773_100011218427 [0,0,0,0,1,1|2,0,0]=4 14148 B16R2.27160 CC(O)COCc1ccc2ccsc2c1 7a_100010262773_100011218427 [0,0,0,0,1,1|2,0,0]=4 14149 B16R2.27160 CC(O)COCc1ccc2occc2c1 34a_100000067418_100011218427 [0,0,0,0,1,1|2,0,0]=4 14150 B16R2.27160 CC(O)COCc1ccc2occc2c1 7a_100000067418_100011218427 [0,0,0,0,1,1|2,0,0]=4 14151 B16R2.27160 CC(O)COCc1ccc2sccc2c1 34a_100000068000_100011218427 [0,0,0,0,1,1|2,0,0]=4 14152 B16R2.27160 CC(O)COCc1ccc2sccc2c1 7a_100000068000_100011218427 [0,0,0,0,1,1|2,0,0]=4 14153 B16R2.27160 CN(C)CCOc1ccc2ccoc2c1 7a_100000089557_100000755713 [0,0,0,0,1,1|2,0,0]=4 14154 B16R2.27160 CN(C)CCOc1ccc2occc2c1 7a_100000070125_100000755713 [0,0,0,0,1,1|2,0,0]=4 14155 B16R2.27160 CN(C)CCOc1ccc2sccc2c1 7a_100012180905_100000755713 [0,0,0,0,1,1|2,0,0]=4 14156 B16R2.27160 C[C@@H](O)COCc1ccc2ccoc2c1 34a_200009859634_100009817552 [0,0,0,0,1,1|2,0,0]=4 14157 B16R2.27160 C[C@@H](O)COCc1ccc2ccoc2c1 7a_200009859634_100009817552 [0,0,0,0,1,1|2,0,0]=4 14158 B16R2.27160 C[C@@H](O)COCc1ccc2ccsc2c1 34a_100010262773_100009817552 [0,0,0,0,1,1|2,0,0]=4 14159 B16R2.27160 C[C@@H](O)COCc1ccc2ccsc2c1 7a_100010262773_100009817552 [0,0,0,0,1,1|2,0,0]=4 14160 B16R2.27160 C[C@@H](O)COCc1ccc2occc2c1 34a_100000067418_100009817552 [0,0,0,0,1,1|2,0,0]=4 14161 B16R2.27160 C[C@@H](O)COCc1ccc2occc2c1 7a_100000067418_100009817552 [0,0,0,0,1,1|2,0,0]=4 14162 B16R2.27160 C[C@@H](O)COCc1ccc2sccc2c1 34a_100000068000_100009817552 [0,0,0,0,1,1|2,0,0]=4 14163 B16R2.27160 C[C@@H](O)COCc1ccc2sccc2c1 7a_100000068000_100009817552 [0,0,0,0,1,1|2,0,0]=4 14164 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2c1 34a_100000764851_100011216711 [0,0,0,0,0,2|0,0,2]=4 14165 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2c1 34a_100011215330_100000730704 [0,0,0,0,0,2|0,0,2]=4 14166 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000730704 [0,0,0,0,0,2|0,0,2]=4 14167 B18R2.9909 C=C(C)COCCc1ccc2ccccc2c1 34a_100000755654_100000748629 [0,0,0,0,0,2|0,0,2]=4 14168 B18R2.9909 C=C(C)COCCc1ccc2ccccc2c1 7a_100000755654_100000748629 [0,0,0,0,0,2|0,0,2]=4 14169 B18R2.9909 CC(=CCCNc1ccc2ccccc2c1)C 34a_100000211940_100011217483 [0,0,0,0,0,2|1,0,1]=4 14170 B18R2.9909 CC(=CCCNc1ccc2ccccc2c1)C 7a_100000211940_100011217483 [0,0,0,0,0,2|1,0,1]=4 14171 B18R2.9909 CC(=CCCOc1ccc2ccccc2c1)C 34a_100000185828_100011217483 [0,0,0,0,0,2|0,0,1]=3 14172 B18R2.9909 CC(=CCCOc1ccc2ccccc2c1)C 7a_100000185828_100011217483 [0,0,0,0,0,2|0,0,1]=3 14173 B18R2.9909 CC(=CCCOc1ccc2cccnc2c1)C 34a_100011216045_100011217483 [0,0,0,0,0,2|1,0,1]=4 14174 B18R2.9909 CC(=CCCOc1ccc2ccncc2c1)C 7a_100000752006_100011217483 [0,0,0,0,0,2|1,0,1]=4 14175 B18R2.9909 CC(=CCCOc1ccc2cnccc2c1)C 34a_100000046372_100011217483 [0,0,0,0,0,2|1,0,1]=4 14176 B18R2.9909 CC(=CCCOc1ccc2cnccc2c1)C 7a_100000046372_100011217483 [0,0,0,0,0,2|1,0,1]=4 14177 B18R2.9909 CC(=CCCOc1ccc2ncccc2c1)C 34a_100011215586_100011217483 [0,0,0,0,0,2|1,0,1]=4 14178 B18R2.9909 CC(=CCCOc1ccc2ncccc2c1)C 7a_100011215586_100011217483 [0,0,0,0,0,2|1,0,1]=4 14179 B18R2.9909 CC(=CCCOc1cnc2ccccc2c1)C 34a_100011934006_100011217483 [0,0,0,0,0,2|1,0,1]=4 14180 B18R2.9909 CC(=CCCOc1cnc2ccccc2c1)C 7a_100011934006_100011217483 [0,0,0,0,0,2|1,0,1]=4 14181 B18R2.9909 CC(=CCNCc1ccc2ccccc2c1)C 2230a_100000739491_100000761012 [0,0,0,0,0,2|1,0,1]=4 14182 B18R2.9909 CC(=CCNCc1ccc2ccccc2c1)C 270004a_100000718196_100000211584 [0,0,0,0,0,2|1,0,1]=4 14183 B18R2.9909 CC(=CCNCc1ccc2ccccc2c1)C 34a_100000718196_100011216711 [0,0,0,0,0,2|1,0,1]=4 14184 B18R2.9909 CC(=CCNCc1ccc2ccccc2c1)C 34a_100000739491_100000761012 [0,0,0,0,0,2|1,0,1]=4 14185 B18R2.9909 CC(=CCOCc1cc2ccccc2cn1)C 34a_100000753907_100009869231 [0,0,0,0,0,2|1,0,1]=4 14186 B18R2.9909 CC(=CCOCc1ccc2ccccc2c1)C 34a_100000753907_100011216711 [0,0,0,0,0,2|0,0,1]=3 14187 B18R2.9909 CC(=CCOCc1ccc2ccccc2c1)C 34a_100011215330_100000761012 [0,0,0,0,0,2|0,0,1]=3 14188 B18R2.9909 CC(=CCOCc1ccc2ccccc2c1)C 7a_100011215330_100000761012 [0,0,0,0,0,2|0,0,1]=3 14189 B18R2.9909 CC(=CCOCc1ccc2ccccc2n1)C 34a_100000753907_100000737579 [0,0,0,0,0,2|1,0,1]=4 14190 B18R2.9909 CC(=CCOCc1ccc2cnccc2c1)C 34a_100000753907_100020605334 [0,0,0,0,0,2|1,0,1]=4 14191 B18R2.9909 CC(=CCOCc1ccc2ncccc2c1)C 34a_100000753907_100000703657 [0,0,0,0,0,2|1,0,1]=4 14192 B18R2.9909 CC(=CCOCc1ccc2ncccc2c1)C 34a_100011315636_100000761012 [0,0,0,0,0,2|1,0,1]=4 14193 B18R2.9909 CC(=CCOCc1cnc2ccccc2c1)C 34a_100011258773_100000761012 [0,0,0,0,0,2|1,0,1]=4 14194 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 1458a_100000070787_100000750887 [0,0,0,0,0,2|1,0,1]=4 14195 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 34a_100000185828_100000685027 [0,0,0,0,0,2|1,0,1]=4 14196 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 7a_100000185828_100011215641 [0,0,0,0,0,2|1,0,1]=4 14197 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 34a_100000759926_100011216711 [0,0,0,0,0,2|1,0,1]=4 14198 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 7a_100000759926_100011216711 [0,0,0,0,0,2|1,0,1]=4 14199 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 7a_100011215330_100000053229 [0,0,0,0,0,2|1,0,1]=4 14200 B18R2.9909 CC(=O)NCCOc1ccc2ccccc2c1 7a_100000185828_100000189650 [0,0,0,0,0,2|1,0,1]=4 14201 B18R2.9909 CC(=O)OCCOc1ccc2ccccc2c1 34a_100000185828_100009814007 [0,0,0,0,0,2|1,0,1]=4 14202 B18R2.9909 CC(=O)OCCOc1ccc2ccccc2c1 7a_100000185828_100009814007 [0,0,0,0,0,2|1,0,1]=4 14203 B18R2.9909 CC(=O)OCOCc1ccc2ccccc2c1 34a_100011215330_100009813279 [0,0,0,0,0,2|1,0,1]=4 14204 B18R2.9909 CC(Br)CCOCc1cc2ccccc2cn1 34a_100009893172_100009869231 [0,0,0,0,0,2|2,0,0]=4 14205 B18R2.9909 CC(Br)CCOCc1ccc2ccccc2c1 34a_100009893172_100011216711 [0,0,0,0,0,2|1,0,0]=3 14206 B18R2.9909 CC(Br)CCOCc1ccc2ccccc2n1 34a_100009893172_100000737579 [0,0,0,0,0,2|2,0,0]=4 14207 B18R2.9909 CC(Br)CCOCc1ccc2cnccc2c1 34a_100009893172_100020605334 [0,0,0,0,0,2|2,0,0]=4 14208 B18R2.9909 CC(Br)CCOCc1ccc2ncccc2c1 34a_100009893172_100000703657 [0,0,0,0,0,2|2,0,0]=4 14209 B18R2.9909 CC(C)CC=NNc1ccc2ccccc2c1 4a_100016987534_100000185833 [0,0,0,0,0,2|1,0,0]=3 14210 B18R2.9909 CC(C)CC=NNc1ccc2ccccc2n1 4a_100000212036_100000185833 [0,0,0,0,0,2|2,0,0]=4 14211 B18R2.9909 CC(C)CC=NNc1ccc2cccnc2c1 4a_200016991157_100000185833 [0,0,0,0,0,2|2,0,0]=4 14212 B18R2.9909 CC(C)CC=NNc1ccc2ncccc2c1 4a_100025741853_100000185833 [0,0,0,0,0,2|2,0,0]=4 14213 B18R2.9909 CC(C)CCCNc1ccc2ccccc2c1 34a_100000211940_100011214892 [0,0,0,0,0,2|1,0,0]=3 14214 B18R2.9909 CC(C)CCCNc1ccc2ccccc2c1 7a_100000211940_100011214892 [0,0,0,0,0,2|1,0,0]=3 14215 B18R2.9909 CC(C)CCCNc1ccc2ccccc2n1 27a_200000737386_100011291633 [0,0,0,0,0,2|2,0,0]=4 14216 B18R2.9909 CC(C)CCCNc1ccc2cccnc2c1 34a_100102887122_100011214892 [0,0,0,0,0,2|2,0,0]=4 14217 B18R2.9909 CC(C)CCCNc1ccc2cnccc2c1 34a_100000039641_100011214892 [0,0,0,0,0,2|2,0,0]=4 14218 B18R2.9909 CC(C)CCCNc1ccc2ncccc2c1 34a_100011198106_100011214892 [0,0,0,0,0,2|2,0,0]=4 14219 B18R2.9909 CC(C)CCCOc1ccc2ccccc2c1 34a_100000185828_100011214892 [0,0,0,0,0,2|0,0,0]=2 14220 B18R2.9909 CC(C)CCCOc1ccc2ccccc2c1 7a_100000185828_100011214892 [0,0,0,0,0,2|0,0,0]=2 14221 B18R2.9909 CC(C)CCCOc1ccc2cccnc2c1 34a_100011216045_100011214892 [0,0,0,0,0,2|1,0,0]=3 14222 B18R2.9909 CC(C)CCCOc1ccc2ccncc2c1 7a_100000752006_100011214892 [0,0,0,0,0,2|1,0,0]=3 14223 B18R2.9909 CC(C)CCCOc1ccc2cnccc2c1 34a_100000046372_100011214892 [0,0,0,0,0,2|1,0,0]=3 14224 B18R2.9909 CC(C)CCCOc1ccc2cnccc2c1 7a_100000046372_100011214892 [0,0,0,0,0,2|1,0,0]=3 14225 B18R2.9909 CC(C)CCCOc1ccc2ncccc2c1 34a_100011215586_100011214892 [0,0,0,0,0,2|1,0,0]=3 14226 B18R2.9909 CC(C)CCCOc1ccc2ncccc2c1 7a_100011215586_100011214892 [0,0,0,0,0,2|1,0,0]=3 14227 B18R2.9909 CC(C)CCCOc1ccc2nccnc2c1 34a_100000694412_100011214892 [0,0,0,0,0,2|2,0,0]=4 14228 B18R2.9909 CC(C)CCCOc1cnc2ccccc2c1 34a_100011934006_100011214892 [0,0,0,0,0,2|1,0,0]=3 14229 B18R2.9909 CC(C)CCCOc1cnc2ccccc2c1 7a_100011934006_100011214892 [0,0,0,0,0,2|1,0,0]=3 14230 B18R2.9909 CC(C)CCCSc1cc2ccccc2cn1 62a_100009816522_100011214892 [0,0,0,0,0,2|1,1,0]=4 14231 B18R2.9909 CC(C)CCCSc1cc2ccccc2cn1 62a_100011214892_100000047361 [0,0,0,0,0,2|1,1,0]=4 14232 B18R2.9909 CC(C)CCCSc1ccc2ccccc2n1 62a_100011214892_100011291633 [0,0,0,0,0,2|1,1,0]=4 14233 B18R2.9909 CC(C)CCCSc1ccc2ccccc2n1 62a_100011291633_100011214892 [0,0,0,0,0,2|1,1,0]=4 14234 B18R2.9909 CC(C)CCCSc1ccc2cccnc2c1 62a_100011214892_100009816655 [0,0,0,0,0,2|1,1,0]=4 14235 B18R2.9909 CC(C)CCCSc1ccc2ccncc2c1 62a_100000686496_100011214892 [0,0,0,0,0,2|1,1,0]=4 14236 B18R2.9909 CC(C)CCCSc1ccc2ccncc2c1 62a_100011214892_100000686496 [0,0,0,0,0,2|1,1,0]=4 14237 B18R2.9909 CC(C)CCCSc1ccc2cnccc2c1 62a_100009816743_100011214892 [0,0,0,0,0,2|1,1,0]=4 14238 B18R2.9909 CC(C)CCCSc1ccc2cnccc2c1 62a_100011214892_100009816743 [0,0,0,0,0,2|1,1,0]=4 14239 B18R2.9909 CC(C)CCCSc1ccc2ncccc2c1 62a_100011214892_100011215947 [0,0,0,0,0,2|1,1,0]=4 14240 B18R2.9909 CC(C)CCCSc1ccc2ncccc2c1 62a_100011215947_100011214892 [0,0,0,0,0,2|1,1,0]=4 14241 B18R2.9909 CC(C)CCCSc1cnc2ccccc2c1 62a_100011214892_100000737414 [0,0,0,0,0,2|1,1,0]=4 14242 B18R2.9909 CC(C)CCNCc1cc2ccccc2cn1 207a_100000210545_100000059776 [0,0,0,0,0,2|2,0,0]=4 14243 B18R2.9909 CC(C)CCNCc1cc2ccccc2cn1 270004a_100000210545_100000059776 [0,0,0,0,0,2|2,0,0]=4 14244 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 207a_100000210545_100000211584 [0,0,0,0,0,2|1,0,0]=3 14245 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210312 [0,0,0,0,0,2|1,0,0]=3 14246 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 269862a_100000739491_100000185833 [0,0,0,0,0,2|1,0,0]=3 14247 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 270004a_100000210545_100000211584 [0,0,0,0,0,2|1,0,0]=3 14248 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 34a_100000739491_100000210312 [0,0,0,0,0,2|1,0,0]=3 14249 B18R2.9909 CC(C)CCNCc1ccc2ccccc2n1 207a_100000210545_100000759686 [0,0,0,0,0,2|2,0,0]=4 14250 B18R2.9909 CC(C)CCNCc1ccc2ccccc2n1 270004a_100000210545_100000759686 [0,0,0,0,0,2|2,0,0]=4 14251 B18R2.9909 CC(C)CCNCc1ccc2cccnc2c1 207a_100000210545_100011784159 [0,0,0,0,0,2|2,0,0]=4 14252 B18R2.9909 CC(C)CCNCc1ccc2cccnc2c1 270004a_100000210545_100011784159 [0,0,0,0,0,2|2,0,0]=4 14253 B18R2.9909 CC(C)CCNCc1ccc2cnccc2c1 207a_100000210545_100000068276 [0,0,0,0,0,2|2,0,0]=4 14254 B18R2.9909 CC(C)CCNCc1ccc2cnccc2c1 270004a_100000210545_100000068276 [0,0,0,0,0,2|2,0,0]=4 14255 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 207a_100000210545_100000211315 [0,0,0,0,0,2|2,0,0]=4 14256 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 269862a_100000238500_100000185833 [0,0,0,0,0,2|2,0,0]=4 14257 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 270004a_100000210545_100000211315 [0,0,0,0,0,2|2,0,0]=4 14258 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 34a_100000238500_100000210312 [0,0,0,0,0,2|2,0,0]=4 14259 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 207a_100000210545_100000750898 [0,0,0,0,0,2|2,0,0]=4 14260 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 269862a_100000742225_100000185833 [0,0,0,0,0,2|2,0,0]=4 14261 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 270004a_100000210545_100000750898 [0,0,0,0,0,2|2,0,0]=4 14262 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 34a_100000742225_100000210312 [0,0,0,0,0,2|2,0,0]=4 14263 B18R2.9909 CC(C)CCOCc1cc2ccccc2cn1 34a_100000210254_100009869231 [0,0,0,0,0,2|1,0,0]=3 14264 B18R2.9909 CC(C)CCOCc1cc2ccccc2cn1 7a_100000210254_100009869231 [0,0,0,0,0,2|1,0,0]=3 14265 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 34a_100000210254_100011216711 [0,0,0,0,0,2|0,0,0]=2 14266 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 34a_100011215330_100000210312 [0,0,0,0,0,2|0,0,0]=2 14267 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 7a_100000210254_100011216711 [0,0,0,0,0,2|0,0,0]=2 14268 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000210626 [0,0,0,0,0,2|0,0,0]=2 14269 B18R2.9909 CC(C)CCOCc1ccc2ccccc2n1 34a_100000210254_100000737579 [0,0,0,0,0,2|1,0,0]=3 14270 B18R2.9909 CC(C)CCOCc1ccc2ccccc2n1 7a_100000210254_100000737579 [0,0,0,0,0,2|1,0,0]=3 14271 B18R2.9909 CC(C)CCOCc1ccc2cnccc2c1 34a_100000210254_100020605334 [0,0,0,0,0,2|1,0,0]=3 14272 B18R2.9909 CC(C)CCOCc1ccc2cnccc2c1 7a_100000210254_100020605334 [0,0,0,0,0,2|1,0,0]=3 14273 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 34a_100000210254_100000703657 [0,0,0,0,0,2|1,0,0]=3 14274 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 34a_100011315636_100000210312 [0,0,0,0,0,2|1,0,0]=3 14275 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 7a_100000210254_100000703657 [0,0,0,0,0,2|1,0,0]=3 14276 B18R2.9909 CC(C)CCOCc1ccc2nccnc2c1 7a_100000210254_200011762199 [0,0,0,0,0,2|2,0,0]=4 14277 B18R2.9909 CC(C)CCOCc1cnc2ccccc2c1 34a_100011258773_100000210312 [0,0,0,0,0,2|1,0,0]=3 14278 B18R2.9909 CC(C)CCOCc1cnc2ccccc2n1 7a_100000210254_200000751123 [0,0,0,0,0,2|2,0,0]=4 14279 B18R2.9909 CC(C)CCOCc1ncc2ccccc2n1 34a_100000210254_100009868571 [0,0,0,0,0,2|2,0,0]=4 14280 B18R2.9909 CC(C)CCOCc1ncc2ccccc2n1 7a_100000210254_100009868571 [0,0,0,0,0,2|2,0,0]=4 14281 B18R2.9909 CC(C)CCSCc1cc2ccccc2cn1 62a_100000210312_100009869231 [0,0,0,0,0,2|1,1,0]=4 14282 B18R2.9909 CC(C)CCSCc1cc2ccccc2cn1 62a_100009869231_100000210312 [0,0,0,0,0,2|1,1,0]=4 14283 B18R2.9909 CC(C)CCSCc1ccc2ccccc2n1 62a_100000210312_100000737579 [0,0,0,0,0,2|1,1,0]=4 14284 B18R2.9909 CC(C)CCSCc1ccc2ccccc2n1 62a_100000737579_100000210312 [0,0,0,0,0,2|1,1,0]=4 14285 B18R2.9909 CC(C)CCSCc1ccc2cnccc2c1 62a_100000210312_100020605334 [0,0,0,0,0,2|1,1,0]=4 14286 B18R2.9909 CC(C)CCSCc1ccc2cnccc2c1 62a_100020605334_100000210312 [0,0,0,0,0,2|1,1,0]=4 14287 B18R2.9909 CC(C)CCSCc1ccc2ncccc2c1 62a_100000210312_100000703657 [0,0,0,0,0,2|1,1,0]=4 14288 B18R2.9909 CC(C)CCSCc1ccc2ncccc2c1 62a_100000703657_100000210312 [0,0,0,0,0,2|1,1,0]=4 14289 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 2230a_100000746582_100000210760 [0,0,0,0,0,2|1,0,0]=3 14290 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 270004a_100000746582_100000210432 [0,0,0,0,0,2|1,0,0]=3 14291 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 34a_100000746582_100000210624 [0,0,0,0,0,2|1,0,0]=3 14292 B18R2.9909 CC(C)CNCCc1ccc2ccccc2n1 270004a_100011238595_100000210432 [0,0,0,0,0,2|2,0,0]=4 14293 B18R2.9909 CC(C)COCCc1ccc2ccccc2c1 34a_100000755654_100000210624 [0,0,0,0,0,2|0,0,0]=2 14294 B18R2.9909 CC(C)COCCc1ccc2ccccc2c1 7a_100000755654_100000210760 [0,0,0,0,0,2|0,0,0]=2 14295 B18R2.9909 CC(C)COCCc1ccc2ccccc2n1 34a_100011996444_100000210624 [0,0,0,0,0,2|1,0,0]=3 14296 B18R2.9909 CC(C)OCCNc1ccc2ccccc2c1 34a_100000211940_100000211751 [0,0,0,0,0,2|1,0,0]=3 14297 B18R2.9909 CC(C)OCCNc1ccc2ccccc2c1 7a_100000211940_100000211751 [0,0,0,0,0,2|1,0,0]=3 14298 B18R2.9909 CC(C)OCCNc1ccc2ccccc2n1 27a_100000701111_100011291633 [0,0,0,0,0,2|2,0,0]=4 14299 B18R2.9909 CC(C)OCCNc1ccc2cccnc2c1 34a_100102887122_100000211751 [0,0,0,0,0,2|2,0,0]=4 14300 B18R2.9909 CC(C)OCCNc1ccc2cnccc2c1 34a_100000039641_100000211751 [0,0,0,0,0,2|2,0,0]=4 14301 B18R2.9909 CC(C)OCCNc1ccc2ncccc2c1 34a_100011198106_100000211751 [0,0,0,0,0,2|2,0,0]=4 14302 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 34a_100000185828_100000211751 [0,0,0,0,0,2|0,0,0]=2 14303 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 34a_200011219602_100000210206 [0,0,0,0,0,2|0,0,0]=2 14304 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 7a_100000185828_100000211751 [0,0,0,0,0,2|0,0,0]=2 14305 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 7a_200011219602_100000210206 [0,0,0,0,0,2|0,0,0]=2 14306 B18R2.9909 CC(C)OCCOc1ccc2cccnc2c1 34a_100011216045_100000211751 [0,0,0,0,0,2|1,0,0]=3 14307 B18R2.9909 CC(C)OCCOc1ccc2ccncc2c1 7a_100000752006_100000211751 [0,0,0,0,0,2|1,0,0]=3 14308 B18R2.9909 CC(C)OCCOc1ccc2cnccc2c1 34a_100000046372_100000211751 [0,0,0,0,0,2|1,0,0]=3 14309 B18R2.9909 CC(C)OCCOc1ccc2cnccc2c1 7a_100000046372_100000211751 [0,0,0,0,0,2|1,0,0]=3 14310 B18R2.9909 CC(C)OCCOc1ccc2ncccc2c1 34a_100011215586_100000211751 [0,0,0,0,0,2|1,0,0]=3 14311 B18R2.9909 CC(C)OCCOc1ccc2ncccc2c1 7a_100011215586_100000211751 [0,0,0,0,0,2|1,0,0]=3 14312 B18R2.9909 CC(C)OCCOc1ccc2nccnc2c1 34a_100000694412_100000211751 [0,0,0,0,0,2|2,0,0]=4 14313 B18R2.9909 CC(C)OCCOc1cnc2ccccc2c1 34a_100011934006_100000211751 [0,0,0,0,0,2|1,0,0]=3 14314 B18R2.9909 CC(C)OCCOc1cnc2ccccc2c1 7a_100011934006_100000211751 [0,0,0,0,0,2|1,0,0]=3 14315 B18R2.9909 CC(C)OCCSc1cc2ccccc2cn1 62a_100000211751_100000047361 [0,0,0,0,0,2|1,1,0]=4 14316 B18R2.9909 CC(C)OCCSc1cc2ccccc2cn1 62a_100009816522_100000211751 [0,0,0,0,0,2|1,1,0]=4 14317 B18R2.9909 CC(C)OCCSc1ccc2ccccc2c1 62a_100000211751_100000233703 [0,0,0,0,0,2|0,1,0]=3 14318 B18R2.9909 CC(C)OCCSc1ccc2ccccc2n1 62a_100000211751_100011291633 [0,0,0,0,0,2|1,1,0]=4 14319 B18R2.9909 CC(C)OCCSc1ccc2ccccc2n1 62a_100011291633_100000211751 [0,0,0,0,0,2|1,1,0]=4 14320 B18R2.9909 CC(C)OCCSc1ccc2cccnc2c1 62a_100000211751_100009816655 [0,0,0,0,0,2|1,1,0]=4 14321 B18R2.9909 CC(C)OCCSc1ccc2ccncc2c1 62a_100000211751_100000686496 [0,0,0,0,0,2|1,1,0]=4 14322 B18R2.9909 CC(C)OCCSc1ccc2ccncc2c1 62a_100000686496_100000211751 [0,0,0,0,0,2|1,1,0]=4 14323 B18R2.9909 CC(C)OCCSc1ccc2cnccc2c1 62a_100000211751_100009816743 [0,0,0,0,0,2|1,1,0]=4 14324 B18R2.9909 CC(C)OCCSc1ccc2cnccc2c1 62a_100009816743_100000211751 [0,0,0,0,0,2|1,1,0]=4 14325 B18R2.9909 CC(C)OCCSc1ccc2ncccc2c1 62a_100000211751_100011215947 [0,0,0,0,0,2|1,1,0]=4 14326 B18R2.9909 CC(C)OCCSc1ccc2ncccc2c1 62a_100011215947_100000211751 [0,0,0,0,0,2|1,1,0]=4 14327 B18R2.9909 CC(C)OCCSc1cnc2ccccc2c1 62a_100000211751_100000737414 [0,0,0,0,0,2|1,1,0]=4 14328 B18R2.9909 CC(C)OCNCc1ccc2ccccc2c1 2230a_100000739491_100000709892 [0,0,0,0,0,2|1,0,0]=3 14329 B18R2.9909 CC(C)OCNCc1ccc2ccccc2c1 34a_100000739491_100000709892 [0,0,0,0,0,2|1,0,0]=3 14330 B18R2.9909 CC(C)OCNCc1ccc2ncccc2c1 34a_100000238500_100000709892 [0,0,0,0,0,2|2,0,0]=4 14331 B18R2.9909 CC(C)OCNCc1cnc2ccccc2c1 34a_100000742225_100000709892 [0,0,0,0,0,2|2,0,0]=4 14332 B18R2.9909 CC(C)OCOCc1ccc2ccccc2c1 34a_100011215330_100000709892 [0,0,0,0,0,2|0,0,0]=2 14333 B18R2.9909 CC(C)OCOCc1ccc2ncccc2c1 34a_100011315636_100000709892 [0,0,0,0,0,2|1,0,0]=3 14334 B18R2.9909 CC(C)OCOCc1cnc2ccccc2c1 34a_100011258773_100000709892 [0,0,0,0,0,2|1,0,0]=3 14335 B18R2.9909 CC(C)OCSCc1cc2ccccc2cn1 62a_100000709892_100009869231 [0,0,0,0,0,2|1,1,0]=4 14336 B18R2.9909 CC(C)OCSCc1cc2ccccc2cn1 62a_100009869231_100000709892 [0,0,0,0,0,2|1,1,0]=4 14337 B18R2.9909 CC(C)OCSCc1ccc2ccccc2c1 62a_100000709892_100011216711 [0,0,0,0,0,2|0,1,0]=3 14338 B18R2.9909 CC(C)OCSCc1ccc2ccccc2c1 62a_100011216711_100000709892 [0,0,0,0,0,2|0,1,0]=3 14339 B18R2.9909 CC(C)OCSCc1ccc2ccccc2n1 62a_100000709892_100000737579 [0,0,0,0,0,2|1,1,0]=4 14340 B18R2.9909 CC(C)OCSCc1ccc2ccccc2n1 62a_100000737579_100000709892 [0,0,0,0,0,2|1,1,0]=4 14341 B18R2.9909 CC(C)OCSCc1ccc2cnccc2c1 62a_100000709892_100020605334 [0,0,0,0,0,2|1,1,0]=4 14342 B18R2.9909 CC(C)OCSCc1ccc2cnccc2c1 62a_100020605334_100000709892 [0,0,0,0,0,2|1,1,0]=4 14343 B18R2.9909 CC(C)OCSCc1ccc2ncccc2c1 62a_100000703657_100000709892 [0,0,0,0,0,2|1,1,0]=4 14344 B18R2.9909 CC(C)OCSCc1ccc2ncccc2c1 62a_100000709892_100000703657 [0,0,0,0,0,2|1,1,0]=4 14345 B18R2.9909 CC(C)SCCNc1ccc2ccccc2c1 34a_100000211940_100000730970 [0,0,0,0,0,2|1,0,0]=3 14346 B18R2.9909 CC(C)SCCNc1ccc2ccccc2c1 7a_100000211940_100000730970 [0,0,0,0,0,2|1,0,0]=3 14347 B18R2.9909 CC(C)SCCNc1ccc2ccccc2n1 27a_100000731138_100011291633 [0,0,0,0,0,2|2,0,0]=4 14348 B18R2.9909 CC(C)SCCNc1ccc2cccnc2c1 34a_100102887122_100000730970 [0,0,0,0,0,2|2,0,0]=4 14349 B18R2.9909 CC(C)SCCNc1ccc2cnccc2c1 34a_100000039641_100000730970 [0,0,0,0,0,2|2,0,0]=4 14350 B18R2.9909 CC(C)SCCNc1ccc2ncccc2c1 34a_100011198106_100000730970 [0,0,0,0,0,2|2,0,0]=4 14351 B18R2.9909 CC(C)SCCOc1ccc2ccccc2c1 34a_100000185828_100000730970 [0,0,0,0,0,2|0,0,0]=2 14352 B18R2.9909 CC(C)SCCOc1ccc2ccccc2c1 7a_100000185828_100000730970 [0,0,0,0,0,2|0,0,0]=2 14353 B18R2.9909 CC(C)SCCOc1ccc2cccnc2c1 34a_100011216045_100000730970 [0,0,0,0,0,2|1,0,0]=3 14354 B18R2.9909 CC(C)SCCOc1ccc2ccncc2c1 7a_100000752006_100000730970 [0,0,0,0,0,2|1,0,0]=3 14355 B18R2.9909 CC(C)SCCOc1ccc2cnccc2c1 34a_100000046372_100000730970 [0,0,0,0,0,2|1,0,0]=3 14356 B18R2.9909 CC(C)SCCOc1ccc2cnccc2c1 7a_100000046372_100000730970 [0,0,0,0,0,2|1,0,0]=3 14357 B18R2.9909 CC(C)SCCOc1ccc2ncccc2c1 34a_100011215586_100000730970 [0,0,0,0,0,2|1,0,0]=3 14358 B18R2.9909 CC(C)SCCOc1ccc2ncccc2c1 7a_100011215586_100000730970 [0,0,0,0,0,2|1,0,0]=3 14359 B18R2.9909 CC(C)SCCOc1ccc2nccnc2c1 34a_100000694412_100000730970 [0,0,0,0,0,2|2,0,0]=4 14360 B18R2.9909 CC(C)SCCOc1cnc2ccccc2c1 34a_100011934006_100000730970 [0,0,0,0,0,2|1,0,0]=3 14361 B18R2.9909 CC(C)SCCOc1cnc2ccccc2c1 7a_100011934006_100000730970 [0,0,0,0,0,2|1,0,0]=3 14362 B18R2.9909 CC(C)SCCSc1cc2ccccc2cn1 62a_100000730970_100000047361 [0,0,0,0,0,2|1,1,0]=4 14363 B18R2.9909 CC(C)SCCSc1cc2ccccc2cn1 62a_100009816522_100000730970 [0,0,0,0,0,2|1,1,0]=4 14364 B18R2.9909 CC(C)SCCSc1ccc2ccccc2n1 62a_100000730970_100011291633 [0,0,0,0,0,2|1,1,0]=4 14365 B18R2.9909 CC(C)SCCSc1ccc2ccccc2n1 62a_100011291633_100000730970 [0,0,0,0,0,2|1,1,0]=4 14366 B18R2.9909 CC(C)SCCSc1ccc2cccnc2c1 62a_100000730970_100009816655 [0,0,0,0,0,2|1,1,0]=4 14367 B18R2.9909 CC(C)SCCSc1ccc2ccncc2c1 62a_100000686496_100000730970 [0,0,0,0,0,2|1,1,0]=4 14368 B18R2.9909 CC(C)SCCSc1ccc2ccncc2c1 62a_100000730970_100000686496 [0,0,0,0,0,2|1,1,0]=4 14369 B18R2.9909 CC(C)SCCSc1ccc2cnccc2c1 62a_100000730970_100009816743 [0,0,0,0,0,2|1,1,0]=4 14370 B18R2.9909 CC(C)SCCSc1ccc2cnccc2c1 62a_100009816743_100000730970 [0,0,0,0,0,2|1,1,0]=4 14371 B18R2.9909 CC(C)SCCSc1ccc2ncccc2c1 62a_100000730970_100011215947 [0,0,0,0,0,2|1,1,0]=4 14372 B18R2.9909 CC(C)SCCSc1ccc2ncccc2c1 62a_100011215947_100000730970 [0,0,0,0,0,2|1,1,0]=4 14373 B18R2.9909 CC(C)SCCSc1cnc2ccccc2c1 62a_100000730970_100000737414 [0,0,0,0,0,2|1,1,0]=4 14374 B18R2.9909 CC(O)CCCNc1ccc2ccccc2c1 34a_100000211940_200000718107 [0,0,0,0,0,2|2,0,0]=4 14375 B18R2.9909 CC(O)CCCNc1ccc2ccccc2c1 7a_100000211940_200000718107 [0,0,0,0,0,2|2,0,0]=4 14376 B18R2.9909 CC(O)CCCOc1ccc2ccccc2c1 34a_100000185828_200000718107 [0,0,0,0,0,2|1,0,0]=3 14377 B18R2.9909 CC(O)CCCOc1ccc2ccccc2c1 7a_100000185828_200000718107 [0,0,0,0,0,2|1,0,0]=3 14378 B18R2.9909 CC(O)CCCOc1ccc2cccnc2c1 34a_100011216045_200000718107 [0,0,0,0,0,2|2,0,0]=4 14379 B18R2.9909 CC(O)CCCOc1ccc2ccncc2c1 7a_100000752006_200000718107 [0,0,0,0,0,2|2,0,0]=4 14380 B18R2.9909 CC(O)CCCOc1ccc2cnccc2c1 34a_100000046372_200000718107 [0,0,0,0,0,2|2,0,0]=4 14381 B18R2.9909 CC(O)CCCOc1ccc2cnccc2c1 7a_100000046372_200000718107 [0,0,0,0,0,2|2,0,0]=4 14382 B18R2.9909 CC(O)CCCOc1ccc2ncccc2c1 34a_100011215586_200000718107 [0,0,0,0,0,2|2,0,0]=4 14383 B18R2.9909 CC(O)CCCOc1ccc2ncccc2c1 7a_100011215586_200000718107 [0,0,0,0,0,2|2,0,0]=4 14384 B18R2.9909 CC(O)CCCOc1cnc2ccccc2c1 34a_100011934006_200000718107 [0,0,0,0,0,2|2,0,0]=4 14385 B18R2.9909 CC(O)CCCOc1cnc2ccccc2c1 7a_100011934006_200000718107 [0,0,0,0,0,2|2,0,0]=4 14386 B18R2.9909 CC(O)CCCSc1ccc2ccccc2c1 62a_200000718107_100000233703 [0,0,0,0,0,2|1,1,0]=4 14387 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 207a_200000755665_100000211584 [0,0,0,0,0,2|2,0,0]=4 14388 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 2230a_100000739491_100012276601 [0,0,0,0,0,2|2,0,0]=4 14389 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 2230a_200000755665_100011216711 [0,0,0,0,0,2|2,0,0]=4 14390 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 270004a_200000755665_100000211584 [0,0,0,0,0,2|2,0,0]=4 14391 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 34a_100000739491_100012276601 [0,0,0,0,0,2|2,0,0]=4 14392 B18R2.9909 CC(O)CCOCc1ccc2ccccc2c1 34a_100011215330_100012276601 [0,0,0,0,0,2|1,0,0]=3 14393 B18R2.9909 CC(O)CCOCc1ccc2ccccc2c1 7a_100011215330_100012276601 [0,0,0,0,0,2|1,0,0]=3 14394 B18R2.9909 CC(O)CCOCc1ccc2ncccc2c1 34a_100011315636_100012276601 [0,0,0,0,0,2|2,0,0]=4 14395 B18R2.9909 CC(O)CCOCc1cnc2ccccc2c1 34a_100011258773_100012276601 [0,0,0,0,0,2|2,0,0]=4 14396 B18R2.9909 CC(O)CCSCc1ccc2ccccc2c1 62a_100011216711_100012276601 [0,0,0,0,0,2|1,1,0]=4 14397 B18R2.9909 CC(O)CCSCc1ccc2ccccc2c1 62a_100012276601_100011216711 [0,0,0,0,0,2|1,1,0]=4 14398 B18R2.9909 CC(O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100011218427 [0,0,0,0,0,2|2,0,0]=4 14399 B18R2.9909 CC(O)CNCCc1ccc2ccccc2c1 34a_100000746582_100011218427 [0,0,0,0,0,2|2,0,0]=4 14400 B18R2.9909 CC(O)CNN=Cc1ccc2ccccc2c1 4a_200000730056_100000211584 [0,0,0,0,0,2|2,0,0]=4 14401 B18R2.9909 CC(O)COCCc1ccc2ccccc2c1 34a_100000755654_100011218427 [0,0,0,0,0,2|1,0,0]=3 14402 B18R2.9909 CC(O)COCCc1ccc2ccccc2c1 7a_100000755654_100011218427 [0,0,0,0,0,2|1,0,0]=3 14403 B18R2.9909 CC(O)COCCc1ccc2ccccc2n1 34a_100011996444_100011218427 [0,0,0,0,0,2|2,0,0]=4 14404 B18R2.9909 CN(C)CCCNc1ccc2ccccc2c1 7a_100000211940_100000757444 [0,0,0,0,0,2|2,0,0]=4 14405 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 2230a_100102631434_100000750887 [0,0,0,0,0,2|1,0,0]=3 14406 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 269982a_100102631434_100000750887 [0,0,0,0,0,2|1,0,0]=3 14407 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 7a_100000185828_100000757444 [0,0,0,0,0,2|1,0,0]=3 14408 B18R2.9909 CN(C)CCCOc1ccc2ccncc2c1 7a_100000752006_100000757444 [0,0,0,0,0,2|2,0,0]=4 14409 B18R2.9909 CN(C)CCCOc1ccc2cnccc2c1 7a_100000046372_100000757444 [0,0,0,0,0,2|2,0,0]=4 14410 B18R2.9909 CN(C)CCCOc1ccc2ncccc2c1 7a_100011215586_100000757444 [0,0,0,0,0,2|2,0,0]=4 14411 B18R2.9909 CN(C)CCCOc1cnc2ccccc2c1 7a_100011934006_100000757444 [0,0,0,0,0,2|2,0,0]=4 14412 B18R2.9909 CN(C)CCNCc1ccc2ccccc2c1 207a_100000210585_100000211584 [0,0,0,0,0,2|2,0,0]=4 14413 B18R2.9909 CN(C)CCNCc1ccc2ccccc2c1 270004a_100000210585_100000211584 [0,0,0,0,0,2|2,0,0]=4 14414 B18R2.9909 CN(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000755713 [0,0,0,0,0,2|1,0,0]=3 14415 B18R2.9909 CN(C)CCSCc1ccc2ccccc2c1 62a_100011216711_100000755713 [0,0,0,0,0,2|1,1,0]=4 14416 B18R2.9909 C[C@@H](N)CCOCc1cc2ccccc2cn1 34a_100000706166_100009869231 [0,0,0,0,0,2|2,0,0]=4 14417 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2c1 34a_100000706166_100011216711 [0,0,0,0,0,2|1,0,0]=3 14418 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2n1 34a_100000706166_100000737579 [0,0,0,0,0,2|2,0,0]=4 14419 B18R2.9909 C[C@@H](N)CCOCc1ccc2cnccc2c1 34a_100000706166_100020605334 [0,0,0,0,0,2|2,0,0]=4 14420 B18R2.9909 C[C@@H](N)CCOCc1ccc2ncccc2c1 34a_100000706166_100000703657 [0,0,0,0,0,2|2,0,0]=4 14421 B18R2.9909 C[C@@H](O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100009817552 [0,0,0,0,0,2|2,0,0]=4 14422 B18R2.9909 C[C@@H](O)CNCCc1ccc2ccccc2c1 34a_100000746582_100009817552 [0,0,0,0,0,2|2,0,0]=4 14423 B18R2.9909 C[C@@H](O)COCCc1ccc2ccccc2c1 34a_100000755654_100009817552 [0,0,0,0,0,2|1,0,0]=3 14424 B18R2.9909 C[C@@H](O)COCCc1ccc2ccccc2c1 7a_100000755654_100009817552 [0,0,0,0,0,2|1,0,0]=3 14425 B18R2.9909 C[C@@H](O)COCCc1ccc2ccccc2n1 34a_100011996444_100009817552 [0,0,0,0,0,2|2,0,0]=4 14426 B18R2.9909 FC(F)CCOCc1ccc2ccccc2c1 34a_100103093639_100011216711 [0,0,0,0,0,2|2,0,0]=4 14427 B18R2.9909 FC(F)COCCc1ccc2ccccc2c1 34a_100000755654_100011934356 [0,0,0,0,0,2|2,0,0]=4 14428 B18R2.9909 FC(F)COCCc1ccc2ccccc2c1 7a_100000755654_100011934356 [0,0,0,0,0,2|2,0,0]=4