0 B12R2.612 Cn1ccc2c1ccc(c2)Cl md017fp13 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 Cc1c[nH]c2c1cccn2 cin105vpfp4 [1,0,0,0,0,0|3,0,0]=4 2 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [1,0,0,0,0,0|1,0,2]=4 3 B11R2.1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 c1cncc2c1c(n[nH]2)N ct051fp2 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.36 Cc1ccc2ccoc2c1 un058de9 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.36 c1cc(cc2c1cc[nH]2)N md003 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.36 c1cc(cc2c1cco2)O un058de10 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.36 c1cc2c(cc[nH]2)cc1Cl md017 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.36 c1cc2c(cco2)cc1Cl un058de6 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.36 c1cn2c(cc1Cl)nnn2 cdp027vp2fp2 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl ct365 [0,0,1,0,0,0|3,0,0]=4 13 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl cdp108de4 [0,0,1,0,0,0|3,0,0]=4 14 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N a094 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.3683 Cc1cnc2cc(ccc2n1)Cl rp017lit7de5 [0,0,0,0,0,1|2,0,1]=4 16 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Cl dna481 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O dna114 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.3683 c1cc(cc2c1cc(cc2)I)O dna327 [0,0,0,0,0,1|2,1,0]=4 19 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N a095 [0,0,0,0,0,1|2,1,0]=4 20 B13R2.5179 Cc1ccc2c(c1)cccc2O dna051 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.5179 Cc1cccc2c1ccc(c2)Cl dna009 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.5179 c1cc(nc2c1c(ccn2)O)Cl cdp194fp2vp3 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.5179 c1cc2c(cc1Cl)[nH]cnc2=O f008ade1 [0,0,0,0,0,1|0,0,1]=2 24 B13R2.5179 c1cc2c(cc1N)ncnc2N f008afp1 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.5179 c1cc2c(cc1N)ncnc2O f008 [0,0,0,0,0,1|1,0,1]=3 26 B13R2.5179 c1cc2cc(ccc2c(c1)N)Cl dna127 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.5179 c1cc2cc(ccc2c(c1)O)Br dna314 [0,0,0,0,0,1|2,1,0]=4 28 B13R2.5179 c1cc2cc(ccc2c(c1)O)Cl dna156 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.5179 c1cc2cc(ccc2c(c1)O)F dna476 [0,0,0,0,0,1|2,1,0]=4 30 B13R2.5179 c1cc2cc(ccc2c(c1)O)I dna383 [0,0,0,0,0,1|2,1,0]=4 31 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [1,0,1,0,0,0|1,0,0]=3 32 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [1,0,1,0,0,0|0,1,0]=3 33 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [1,0,1,0,0,0|0,0,0]=2 34 B10R1.1 c1cc(ccc1\C=N\N)F un310 [1,0,1,0,0,0|0,1,0]=3 35 B10R1.1 c1cc(ccc1\C=N\N)N un314 [1,0,1,0,0,0|1,0,0]=3 36 B10R1.1 c1cc(ccc1\C=N\N)O un315 [1,0,1,0,0,0|1,0,0]=3 37 B10R1.13 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 [1,0,1,0,0,0|1,0,1]=4 38 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.10 c1cc(cc(c1)Cl)\C=N\O jmc046 [1,0,1,0,0,0|1,0,0]=3 40 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.61 c1cncc(c1C(=O)O)N f002a [1,0,1,0,0,0|2,0,0]=4 42 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [1,0,1,0,0,0|2,0,0]=4 43 B10R2.7 c1c[nH]c2c1ccnc2 md013 [2,0,0,0,0,0|2,0,0]=4 44 B10R2.7 c1cc2c(cc[nH]2)nc1 md008 [2,0,0,0,0,0|2,0,0]=4 45 B10R2.7 c1ccc2cscc2c1 hs2-b024lit9 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Br md017fp06 [1,1,0,0,0,0|2,0,0]=4 47 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Cl md017fp12 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)I md017fp07 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O a165 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.246 c1c[nH]c2c1c(cc(c2)Br)I un307 [1,1,0,0,0,0|1,1,0]=4 51 B14R2.2332 COc1ccc2cc(ccc2c1)Cl dna226 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl hw004 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.8239 c1cc2c(cc1Cl)cc(c(n2)O)F qn055lit5 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.29369 c1cc(c(c2c1NC(=NC2)N)Cl)Cl jg094 [0,1,0,0,0,1|2,0,0]=4