0 B12R1.252 c1ccc(cc1)C=CCC(=N)N DA-38990 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 C#CCOCc1ccccc1 DA-31825 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 c1ccc(cc1)OCCCN DA-23258 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.45 CN(C)CCC(c1ccccc1)Cl DA-48389 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.45 CN(C)CCC(c1ccccc1)O DA-42136 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.149 c1cc(nc(c1)N)CCCC(=O)O DA-36604 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.513 CC(=O)NCCc1ccc(cn1)Br DA-45666 [0,1,0,0,0,0|3,0,0]=4 7 B13R1.513 CN(C)CCCc1ccc(cc1)N DA-21389 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.513 CN(C)CCCc1ccc(cc1)O DA-21602 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.513 c1cc(ccc1CNCC(=O)N)Cl DA-28230 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.513 c1cc(ccc1OCCC(=O)O)Br DA-25207 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.718 COC(CCCc1ccccc1)Cl DA-31948 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.718 c1cnccc1CCNC(=O)CCl DA-26374 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.3523 CC(C)(CCCc1ccccc1)N DA-25834 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.3523 CC(C)(COCc1ccccc1)O DA-30713 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.10 c1cc(cnc1)C2COC(=O)N2 DA-22660 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.10 c1ccc(cc1)C2CCC(C2)N DA-23248 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.10 c1ccnc(c1)C2COC(=O)N2 DA-22773 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [0,0,0,0,1,0|2,0,1]=4 19 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.91 c1ccc(cc1)CNC(=O)Cl DA-35039 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 c1cnc(cn1)CCC(=O)O DA-41743 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.91 c1cnccc1C#CC(=O)O DA-25115 [0,0,0,0,1,0|1,0,2]=4 24 B13R1.337 c1ccc(cc1)COCC[N+](=O)[O-] DA-29715 [0,0,0,0,0,1|1,0,1]=3 25 B12R1.1 C=CCOCc1ccc(cc1)O DA-21856 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.8 c1ccc(cc1)CCCCCI DA-31872 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.8 c1ccc(cc1)CNCCCO DA-23282 [1,1,0,0,0,0|0,0,1]=3 28 B12R1.27 CC(CO)OCc1ccccc1 DA-28973 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.27 COC(CCc1ccccc1)Cl DA-32035 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.27 c1ccc(cc1)CCC(CN)O DA-29820 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.28 c1cc(nc(c1)Br)CCCCO DA-36468 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.32 CNCC(Cc1ccccc1)O DA-30606 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.21 CC(=O)CCc1ccc(cc1)Cl DA-22547 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.21 CC(=O)NCc1ccc(cc1)Br DA-40688 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.21 c1cc(ncc1CCC(=O)O)Br DA-25063 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.21 c1cc(ncc1N)CCC(=O)O DA-38033 [0,1,0,0,1,0|1,0,0]=3 37 B12R1.43 CC(=O)C(Cc1ccccc1)Br DA-24004 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br DA-28947 [0,1,0,0,1,0|0,0,0]=2 39 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)Cl DA-26398 [0,1,0,0,1,0|1,0,0]=3 40 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)O DA-26114 [0,1,0,0,1,0|1,0,0]=3 41 B12R1.226 CC(=O)CCc1cccc(=O)[nH]1 DA-48305 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.226 CC(=O)NCc1cccc(c1)Br DA-42742 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.226 CC(=O)NCc1cccc(c1)N DA-43479 [0,1,0,0,1,0|2,0,0]=4 44 B12R1.226 c1cc(cc(c1)O)CCC(=O)Cl DA-23552 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.226 c1cc(nc(c1)Br)CCC(=O)O DA-36467 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.226 c1cc(nc(c1)N)CCC(=O)O DA-36603 [0,1,0,0,1,0|1,0,0]=3 47 B14R1.148 Cc1cccc(c1)CCCCC(=O)O DA-23325 [0,1,0,0,0,1|0,0,0]=2 48 B14R1.148 c1cc(cc(c1)Br)OCCCC(=O)O DA-43540 [0,1,0,0,0,1|0,0,0]=2 49 B14R1.148 c1cc(cc(c1)Cl)CCCCC(=O)O DA-23730 [0,1,0,0,0,1|0,0,0]=2 50 B14R1.677 CC(=O)NCCCc1ccc(cc1)O DA-42030 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.677 c1cc(ccc1CNCCC(=O)N)Cl DA-25191 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.417 CN(c1ccccc1)C(=O)CC(=O)O DA-24871 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.76 COc1cccc(c1)CCNC(=O)N DA-31175 [0,2,0,0,0,0|2,0,0]=4 54 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl DA-33230 [0,2,0,0,0,0|1,0,0]=3 55 B14R1.5978 CN(Cc1cccc(c1)N)CC(=O)N DA-27627 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.837 COC(=O)CCNc1ccccc1N DA-46479 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.4464 Cc1cc(ncc1NCCC(=O)O)C DA-25229 [0,2,0,0,0,0|2,0,0]=4 58 B14R1.4464 c1cc(c(cc1O)Cl)CCCC(=O)O DA-26569 [0,2,0,0,0,0|0,0,0]=2 59 B14R1.698 CC(Cc1ccc(cc1)Br)NC(=O)C DA-47417 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.698 CC(Cc1ccc(cc1)I)NC(=O)C DA-47797 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 DA-33110 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.756 CC(C(=O)OC)OCc1ccccc1 DA-33127 [0,2,0,0,0,0|1,0,0]=3 63 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl DA-33183 [0,2,0,0,0,0|1,0,0]=3 64 B14R1.13 COC(=O)COCc1ccc(cn1)Br DA-45059 [0,2,0,0,0,0|2,0,0]=4 65 B14R1.131 CC(C)(CCCc1ccc(cc1)Br)O DA-38644 [0,2,0,0,0,0|1,0,1]=4 66 B12R2.2 c1ccc(cc1)C2OCCO2 DA-40371 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1081 c1ccc2c(c1)COCC2O DA-33516 [1,0,0,1,0,0|1,0,1]=4 68 B12R2.1081 c1cncc2c1C(CCC2)O DA-40004 [1,0,0,1,0,0|1,0,1]=4 69 B12R2.24 c1ccc2c(c1)CC(=O)CS2 DA-26187 [0,0,0,1,1,0|2,0,0]=4 70 B12R2.1354 c1c([nH]cn1)C2CC2C(=O)O DA-28801 [0,0,0,1,1,0|2,0,0]=4 71 B12R2.1354 c1c([nH]cn1)C2CC2C(=O)O DA-28802 [0,0,0,1,1,0|2,0,0]=4 72 B14R2.2 c1ccc2c(c1)c(c[nH]2)CC(=O)O DA-29347 [0,0,0,1,0,1|0,0,2]=4 73 B14R2.21 c1ccc(cc1)C2CC(=O)CCS2 DA-41404 [0,0,0,1,0,1|1,0,0]=3 74 B14R2.21 c1ccc(cc1)C2COCC(=O)N2 DA-37026 [0,0,0,1,0,1|1,0,0]=3 75 B14R2.21 c1ccc(cc1)N2CCNC(=O)C2 DA-38992 [0,0,0,1,0,1|2,0,0]=4 76 B14R2.436 c1ccc(cc1)COC2CC(C2)O DA-24981 [0,0,0,1,0,1|1,0,1]=4 77 B14R2.436 c1ccc(cc1)CO[C@H]2C[C@H](C2)O DA-34972 [0,0,0,1,0,1|1,0,1]=4 78 B14R2.31359 c1ccc2c(c1)CCOC2C(=O)O DA-45955 [0,0,0,1,0,1|0,0,0]=2 79 B14R2.22 c1cc(cc(c1)Br)C2CNC(=O)O2 DA-40281 [0,1,0,1,0,0|1,0,0]=3 80 B14R2.4476 c1cc(cc(c1)Cl)C2CC2C(=O)O DA-40580 [0,1,0,1,0,0|0,0,0]=2 81 B14R2.7974 c1cc2c(cc1Br)CCCC(=O)C2 DA-41511 [0,1,0,1,0,0|1,0,0]=3 82 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O DA-35175 [0,1,0,1,0,0|0,0,2]=4 83 B14R2.781 CC(C1CCc2ccccc2C1)O DA-28791 [0,1,0,1,0,0|1,0,1]=4 84 B14R2.781 c1ccc2c(c1)CCN(C2)C(=O)Cl DA-24747 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.5443 c1ccc(c(c1)C2CC2C(=O)O)Br DA-28662 [0,1,0,1,0,0|0,0,0]=2 86 B14R2.5443 c1ccc(c(c1)C2CC2C(=O)O)Cl DA-28646 [0,1,0,1,0,0|0,0,0]=2 87 B14R2.8032 CC(=O)N1CCc2c1cccc2Br DA-31063 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.598 c1ccc(cc1)C2C(=O)OC(=O)O2 DA-37037 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.20 c1cc(ccc1C2CC(=O)NC2)Cl DA-22545 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.4402 c1cc(ccc1C2CC2C(=O)O)Cl DA-28193 [0,1,0,1,0,0|0,0,0]=2 91 B14R2.4402 c1cc(ccc1C2CC2C(=O)O)N DA-28322 [0,1,0,1,0,0|0,0,0]=2 92 B14R2.95 COC(=O)C1CSc2c1cccc2 DA-42532 [0,1,0,1,0,0|1,0,0]=3 93 B14R2.958 CNC(=O)C1CC1c2ccccc2 DA-43332 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [0,0,0,0,2,0|2,0,0]=4 95 B10R1.66 CC(=O)CCc1cccs1 DA-22764 [0,0,0,0,2,0|2,0,0]=4 96 B14R1.422 c1ccc(cc1)COCCCC(=O)Cl DA-22319 [0,0,0,0,0,2|1,0,0]=3