0 B13R1.464 CCOC(=O)c1cccnc1CBr DA-34429 [1,0,0,0,0,0|2,0,1]=4 1 B13R1.547 CC(C)c1ccccc1C(=O)OC DA-32954 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.572 CCCNc1cnccc1C(=O)O DA-24851 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.572 CCCOc1cccnc1C(=O)O DA-23244 [1,0,0,0,0,0|3,0,0]=4 4 B15R1.1239 CCCOC(=O)c1ccccc1[N+](=O)[O-] DA-42808 [0,1,0,0,0,0|1,0,1]=3 5 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])Br DA-33904 [0,1,0,0,0,0|1,0,1]=3 6 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])C DA-33857 [0,1,0,0,0,0|1,0,1]=3 7 B15R2.4382 CCOc1c2ccccc2c(nn1)Cl DA-29548 [0,0,0,1,0,0|3,0,0]=4 8 B15R2.4382 CCOc1cnc(c2c1cccc2)Cl DA-29549 [0,0,0,1,0,0|3,0,0]=4 9 B15R2.9803 Cc1cn(c2c1c(ccc2)C(=O)O)C DA-30255 [0,0,0,1,0,0|3,0,0]=4 10 B15R2.19973 CCn1c(=O)c2ccccc2c(n1)Cl DA-39699 [0,0,0,1,0,0|3,0,0]=4 11 B15R1.1274 CCOC(=O)Cc1c(cccn1)[N+](=O)[O-] DA-34528 [0,0,0,0,0,1|2,0,1]=4 12 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)C DA-34365 [0,0,0,0,0,1|1,0,0]=2 13 B12R1.77 COC(=O)c1c(cccn1)C=C DA-32655 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.308 CCCC(=O)c1ccccc1Br DA-31450 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.308 CCOC(=O)c1c[nH]ccc1=O DA-33849 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.308 CCOC(=O)c1ccc[nH]c1=O DA-34260 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.308 CCOC(=O)c1cccnc1I DA-34286 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.308 CCOC(=O)c1cnccc1Cl DA-33889 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.261 CC(=O)c1cccnc1C(=O)O DA-24371 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.261 CS(=O)c1ccccc1C(=O)O DA-27648 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.283 c1ccc(c(c1)CCO)C(=O)O DA-28621 [2,0,0,0,0,0|1,0,1]=4 22 B14R1.263 CCOC(=O)c1ccccc1CCBr DA-29008 [1,1,0,0,0,0|1,0,1]=4 23 B14R1.840 CC(C)OC(=O)c1ccccc1C=O DA-33491 [1,1,0,0,0,0|0,0,0]=2 24 B14R1.7233 CCOC(=O)c1ccc(cc1CBr)Br DA-33913 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.7233 CCOC(=O)c1ccc(cc1OC)C DA-39980 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.7276 CCOC(=O)c1c(ccnc1C=O)Cl DA-33895 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.7276 CCOC(=O)c1c(cncc1Cl)C=O DA-34096 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.317 CCC(C)(C)c1ccccc1C(=O)O DA-25636 [1,1,0,0,0,0|1,0,1]=4 29 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])O DA-32304 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.707 Cc1ccc(c(n1)C(=O)OC)C(=O)O DA-45812 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])O DA-32451 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.1153 COC(=O)c1cccc(c1C(=O)O)F DA-46650 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])Cl DA-42467 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.1164 COC(=O)c1c(cccc1Cl)[N+](=O)[O-] DA-41320 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.1164 COC(=O)c1c(cccc1F)C(=O)Cl DA-46649 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.760 CCCNc1cc(ccc1C(=O)O)N DA-21475 [1,1,0,0,0,0|2,0,0]=4 37 B16R1.12517 CC(OC(=O)c1ccccc1OC(=O)C)Cl DA-29507 [0,1,0,0,0,1|1,0,0]=3 38 B16R1.12463 CC(C)CC(=O)Nc1c(cccn1)C(=O)O DA-28411 [0,1,0,0,0,1|2,0,0]=4 39 B16R1.12463 CC(C)OC(=O)Cc1c(cccn1)C(=O)O DA-28614 [0,1,0,0,0,1|1,0,0]=3 40 B16R1.13671 CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])Cl DA-34493 [0,1,0,0,0,1|1,0,1]=4 41 B16R1.11392 Cc1ccc(c(n1)C(=O)OC(C)C)C(=O)O DA-27668 [0,2,0,0,0,0|1,0,0]=3 42 B16R1.70674 CCOC(=O)c1c(cnc(c1O)C)C(=O)O DA-22217 [0,2,0,0,0,0|1,0,0]=3 43 B16R1.15444 CCOC(=O)c1c(cccc1[N+](=O)[O-])CBr DA-34431 [0,2,0,0,0,0|1,0,1]=4 44 B14R2.31359 c1cc2c(c(c1)C(=O)O)CNCC2 DA-30373 [1,0,0,1,0,0|1,0,1]=4 45 B14R2.31359 c1cc2c(c(c1)C(=O)O)NCCC2 DA-30375 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.8053 c1c(c2c([nH]1)CCCC2=O)C(=O)O DA-22019 [0,0,0,1,1,0|2,0,0]=4 47 B14R2.8053 c1c(c2c([nH]1)CCNC2=O)C(=O)O DA-22018 [0,0,0,1,1,0|2,0,0]=4 48 B16R2.3033 c1ccc(c(c1)C(=O)O)N2CCCC2=O DA-28569 [0,0,0,1,0,1|1,0,0]=3 49 B16R2.2838 Cc1nnc(o1)c2ccccc2C(=O)O DA-40713 [0,1,0,1,0,0|1,0,1]=4 50 B14R1.965 CCOC(=O)Nc1c(cccn1)C=O DA-40849 [1,0,0,0,0,1|1,0,0]=3 51 B14R1.617 CCNC(=O)c1cccc(c1)C(=O)O DA-24516 [0,0,0,0,1,1|1,0,0]=3 52 B16R1.4440 CCOC(=O)CCc1ccccc1[N+](=O)[O-] DA-34219 [0,0,0,0,0,2|1,0,1]=4 53 B16R1.4440 CCOC(=O)CNc1ccccc1C(=O)N DA-34578 [0,0,0,0,0,2|1,0,0]=3