0 B10R1.15 C#CC(=O)c1ccccc1 ZERO/004572 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.6 CC(c1ccccn1)N ZERO/009554 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.6 c1ccnc(c1)C(=S)N ZERO/009751 [1,0,0,0,0,0|2,1,0]=4 3 B9R1.6 c1cncnc1C(=O)O ZERO/009348 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 c1ccnc(c1)CCBr ZERO/009228 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 c1ccnc(c1)CCCl ZERO/009177 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 c1cnccc1CCN ZERO/008451 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.12 c1cnccc1\C(=C\O)\C=O ZERO/005577 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.22 COC(=O)c1cnc(cn1)O ZERO/008486 [0,1,0,0,0,0|3,0,0]=4 9 B11R2.1 c1ccc2c(c1)c(sn2)N ZERO/009690 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.11 CCC(c1cccs1)N ZERO/009382 [0,0,0,0,1,0|2,0,1]=4 11 B9R1.11 COC(=O)c1cc[nH]n1 ZERO/001713 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.11 COC(=O)c1ccc[nH]1 ZERO/005887 [0,0,0,0,1,0|2,0,0]=3 13 B9R1.11 COC(=O)c1ccno1 ZERO/010001 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.13 c1cc(ncc1C(=O)O)O ZERO/005644 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.61 Cc1ccncc1C(=O)O ZERO/009371 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.61 c1cncc(c1C(=O)O)Br ZERO/008524 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.61 c1cncc(c1N)C(=O)O ZERO/010694 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.113 c1cnc(cc1N)C(=O)O ZERO/010331 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.4 CCOc1cccnc1N ZERO/009270 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.17 c1cc(cnc1)CCCBr ZERO/009226 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.17 c1ccnc(c1)CCCN ZERO/004569 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.11 CCOC(=O)c1cscn1 ZERO/009532 [0,1,0,0,1,0|2,0,0]=4 23 B10R1.14 COC(=O)c1ccc(s1)N ZERO/008433 [0,1,0,0,1,0|2,0,0]=4 24 B12R1.16 CCCC(=O)c1ccc(cc1)O ZERO/000922 [0,2,0,0,0,0|0,0,0]=2 25 B12R1.16 CNCC(=O)c1ccc(cc1)O ZERO/006246 [0,2,0,0,0,0|0,0,0]=2 26 B12R1.16 c1cc(ccc1C(=O)CC#N)I ZERO/010013 [0,2,0,0,0,0|0,0,1]=3 27 B12R1.17 CCOC(=O)c1cc(cnc1)Br ZERO/005646 [0,2,0,0,0,0|1,0,0]=3 28 B12R1.17 CCOC(=O)c1cccc(n1)O ZERO/008535 [0,2,0,0,0,0|1,0,0]=3 29 B12R1.17 CCOC(=O)c1ccnc(c1)Cl ZERO/009957 [0,2,0,0,0,0|1,0,0]=3 30 B12R1.17 c1cc(cc(c1)Br)C(=O)CC#N ZERO/010145 [0,2,0,0,0,0|0,0,1]=3 31 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br ZERO/010169 [0,2,0,0,0,0|0,0,1]=3 32 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl ZERO/010012 [0,2,0,0,0,0|0,0,1]=3 33 B12R1.5 CCC(=O)c1ccc(cc1)C#N ZERO/010864 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.5 COc1ccc(cc1)C(=O)C#C ZERO/010855 [0,2,0,0,0,0|0,0,2]=4 35 B12R1.367 COC(=O)c1ccc(c(c1)Br)N ZERO/004654 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.354 CCC(c1cc(ccc1Cl)Cl)N ZERO/006537 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.354 COC(=O)c1cc(ccc1Cl)N ZERO/004981 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl ZERO/009417 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl ZERO/005498 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.77 CCC(=O)c1ccccc1OC ZERO/010353 [0,2,0,0,0,0|0,0,0]=2 41 B10R1.27 CCC(=O)Cc1ccco1 ZERO/009248 [0,0,1,1,0,0|1,0,1]=4 42 B12R2.18 Cn1c2ccccc2[nH]c1=S ZERO/006462 [0,0,0,1,0,1|1,1,0]=4 43 B12R2.32 c1ccc2c(c1)[nH]c(n2)CCl ZERO/001716 [0,0,0,1,0,1|2,0,0]=4 44 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN ZERO/008136 [0,0,0,1,0,1|2,0,0]=4 45 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO ZERO/006134 [0,0,0,1,0,1|2,0,0]=4 46 B12R2.32 c1ccc2c(c1)nc(o2)CN ZERO/009676 [0,0,0,1,0,1|1,0,1]=4 47 B12R2.2 c1cc(cnc1)C2=NCCN2 ZERO/010076 [0,1,0,1,0,0|2,0,0]=4 48 B12R2.2 c1ccc(cc1)C2CCNC2 ZERO/010603 [0,1,0,1,0,0|1,0,1]=4 49 B12R2.2 c1cnccc1C2=NCCN2 ZERO/010294 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.612 c1cc2c(cc1N)COC2=O ZERO/009021 [0,1,0,1,0,0|1,0,0]=3 51 B12R2.2302 c1cc(ccc1C2CCN2)F ZERO/010389 [0,1,0,1,0,0|1,0,1]=4 52 B12R2.132 c1cc2c(cc1N)C(=O)CO2 ZERO/010877 [0,1,0,1,0,0|1,0,0]=3