0 B11R1.53 c1ccc(c(c1)CBr)C(=O)O BC207323 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 c1ccc(c(c1)CCl)C(=O)O BC211063 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.20 CCc1c(nccn1)CC BC210326 [1,0,0,0,0,0|0,0,1]=2 3 B10R1.20 COc1cccnc1C=O BC208209 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.20 c1cc(c(nc1)CN)C=O BC207494 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.61 CC(=O)c1ccccc1Br BC213650 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.61 CC(=O)c1ccccc1F BC227587 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 CC(=O)c1cccnc1Cl BC204454 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.61 CC(=O)c1cccnc1N BC200176 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.61 Cc1c(nccn1)C(=O)C BC210170 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 Cc1ccccc1C(=O)O BC675262 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.61 Cc1cccnc1C(=O)O BC207538 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.61 Cc1cccnc1[N+](=O)[O-] BC219555 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.61 c1cc(c(nc1)C(=O)N)N BC653727 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl BC206498 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.61 c1cc(c(nc1)Cl)C(=O)O BC227088 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.61 c1cc(c(nc1)F)C(=O)O BC214598 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.61 c1cnc(c(n1)C(=O)O)Cl BC686579 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 c1cnc(c(n1)C(=O)O)N BC205346 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.61 c1cnc(c(n1)C(=O)O)O BC205347 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.46 COc1c(cc(cn1)F)C(=O)O BC219213 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.77 COC(=O)c1ccccc1CBr BC204417 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.77 COc1ccccc1C(=O)CBr BC652176 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.261 c1cnc(c(n1)C(=O)O)C(=O)O BC654144 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 BC220805 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.1081 c1cc2c(nc1)C(CCC2)O BC228167 [0,0,0,1,0,0|1,0,2]=4 36 B12R2.1081 c1cc2c(nc1)CCCC2=O BC228644 [0,0,0,1,0,0|1,0,0]=2 37 B12R2.1081 c1cc2c(nc1)CCCC2O BC202819 [0,0,0,1,0,0|1,0,2]=4 38 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 BC208640 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.1081 c1ccc2c(c1)CCNC2=O BC213850 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.1081 c1cncc2c1C(=O)CCC2 BC679513 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1395 c1cc2c(c(c1)C(=O)O)CC2 BC227819 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.15 CCc1c(nccn1)C BC210593 [2,0,0,0,0,0|0,0,0]=2 43 B9R1.15 CCc1c(nccn1)Cl BC210275 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.15 Cc1c(cccn1)C=O BC656201 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.15 Cc1cccnc1C=O BC207525 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 c1cc(c(nc1)Cl)C=O BC225225 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 c1cc(c(nc1)F)C=O BC208207 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 c1cc(c(nc1)N)C=O BC208204 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 c1cnc(c(n1)C=O)Cl BC670991 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 CC(=O)c1ccccc1 BC206207 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 CC(=O)c1cccnc1 BC207736 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.6 CC(=O)c1cncnc1 BC653324 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 c1cnc(cn1)C(=O)Cl BC223499 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.265 COc1c(c(ccn1)I)C=O BC650792 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.156 Cc1ccnc(c1C(=O)O)C BC200557 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.166 Cc1c(ccc(n1)F)C(=O)O BC219214 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br BC655671 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)c1c(cccn1)Br BC273693 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.222 COC(=O)c1c(cccn1)O BC224094 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)c1c(nccn1)N BC210667 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.222 COC(=O)c1cccnc1F BC219216 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.222 Cc1c(cccn1)C(=O)OC BC225552 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.59 COC(=O)c1c(ccs1)CBr BC225983 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.2135 CCc1cccc(c1NC(=O)C)C BC600166 [0,1,0,0,0,1|2,0,0]=4 73 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.20 c1cc2c(nc1)CCCC2 BC207983 [1,0,0,1,0,0|1,0,1]=4 75 B11R2.20 c1cnc2c(n1)CCCC2 BC218761 [1,0,0,1,0,0|0,0,1]=3 76 B13R2.163 c1cc2c(nc1)NC(=O)CNC2 BC600243 [0,0,0,1,0,1|2,0,0]=4 77 B13R2.5179 Cc1ccc2c(n1)NCCC2=O BC256305 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O BC216116 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.5179 c1cc2c(cc1F)CCCC2=O BC216115 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.5179 c1cc2c(cc1N)CCCC2=O BC219855 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.5179 c1cc2c(cc1O)CCCC2=O BC681082 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 BC215484 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.342 c1cc2c(c(c1)O)CCCC2=O BC209777 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.4818 c1cc2c(c(c1)Br)C(=O)CCC2 BC212649 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.41 Cc1c(nco1)C(=O)O BC650836 [1,0,0,0,1,0|2,0,0]=4 86 B9R1.41 Cc1c(ncs1)C(=O)O BC652152 [1,0,0,0,1,0|2,0,0]=4 87 B9R1.41 Cc1c(ocn1)C(=O)O BC689523 [1,0,0,0,1,0|2,0,0]=4 88 B9R1.41 Cc1c(scn1)C(=O)O BC679074 [1,0,0,0,1,0|2,0,0]=4 89 B9R1.41 Cn1c(ccn1)C(=O)O BC649926 [1,0,0,0,1,0|2,0,0]=4