0 B11R1.12 COC(c1ccccc1)OC BC214177 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.12 c1ccc(cc1)C(C#N)C#N BC677798 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 C#CC(c1ccccc1)O BC218343 [1,0,0,0,0,0|1,0,1]=3 3 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 COC(=O)c1ccncc1 BC205546 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.12 CCN(CC)c1ccc(cc1)N BC631691 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.2 c1ccc(cc1)C2CCCN2 BC220765 [0,0,0,1,0,0|2,0,0]=3 10 B12R2.2 c1ccc(cc1)C2CCNC2 BC206377 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.2 c1ccc(cc1)C2CCNC2 BC681902 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.2 c1ccc(cc1)[C@@H]2CCCN2 BC227897 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 BC630674 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 BC227898 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.2 c1cnccc1C2CCCN2 BC201198 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.6 B(c1ccccc1)(O)O BC207007 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.6 B(c1ccccn1)(O)O BC210694 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 B(c1cccnc1)(O)O BC210695 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 B(c1ccncc1)(O)O BC208313 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.6 CC(=O)c1ccccc1 BC206207 [2,0,0,0,0,0|0,0,2]=4 21 B9R1.6 CN(C)c1ccncc1 BC206167 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.6 CN(c1ccccc1)N BC677890 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.6 C[C@H](c1ccccc1)N BC226220 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 c1ccc(cc1)CC=O BC250050 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 c1ccc(cc1)CCBr BC203736 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 c1ccc(cc1)CCO BC213746 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 c1ccc(cc1)CNN BC652179 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.8 c1ccc(cc1)CNN BC676720 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.16 COCC(=O)c1ccccc1 BC644213 [1,1,0,0,0,0|0,0,2]=4 31 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.22 COC(=O)c1ccc(cc1)Br BC215377 [1,1,0,0,0,0|0,0,2]=4 36 B11R1.22 COC(=O)c1ccc(cc1)I BC213654 [1,1,0,0,0,0|0,0,2]=4 37 B11R1.22 COC(=O)c1ccc(cc1)[O-] BC209217 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.23 COC(=O)c1cccc(c1)O BC220614 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.23 Cc1cccc(c1)C(=O)OC BC219811 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.23 c1cc(cc(c1)Cl)C(CN)O BC210180 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.36 CC(C)[C@@H](c1ccccc1)N BC687879 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [1,1,0,0,0,0|2,0,0]=4 46 B11R2.1 CC1=CCc2c1cccc2 BC600789 [1,0,0,1,0,0|1,0,1]=4 47 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [1,0,0,1,0,0|1,0,1]=4 48 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.3 c1ccc(cc1)C2CCNCC2 BC208602 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.3 c1ccc(cc1)C2CNCCN2 BC223469 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.3 c1ccc(cc1)C2COCCN2 BC600020 [0,1,0,1,0,0|1,0,0]=3 54 B13R2.3 c1ccc(cc1)[C@@H]2COCCN2 BC665893 [0,1,0,1,0,0|1,0,0]=3 55 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 BC267258 [0,1,0,1,0,0|1,0,0]=3 56 B13R2.12 c1cc(ccc1C2CCCN2)Br BC221178 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.12 c1cc(ccc1C2CCCN2)Cl BC221173 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.12 c1cc(ccc1C2CCCN2)F BC201195 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.12 c1cc(ccc1[C@@H]2CCCN2)Cl BC227887 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.12 c1cc(ccc1[C@H]2CCCN2)Cl BC227888 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.12 c1cc(ccc1[C@H]2CCCN2)F BC227894 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.13 c1cc(cc(c1)Br)C2CCCN2 BC221179 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.13 c1cc(cc(c1)F)C2CCCN2 BC201194 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.13 c1cc(cc(c1)F)[C@@H]2CCCN2 BC227895 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.13 c1cc(cc(c1)F)[C@H]2CCCN2 BC227896 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.13 c1cc(cc(c1)N)C2CCCN2 BC657175 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.18 c1ccc(c(c1)C2CCCN2)Cl BC227875 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.18 c1ccc(c(c1)C2CCCN2)F BC201193 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.18 c1ccc(c(c1)C2OCCO2)Br BC214392 [0,1,0,1,0,0|0,0,0]=2