0 B10R1.119 CC1=C(C(=O)C=CC1=O)C fpzz0112fp1 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.119 Cc1c(c(c(cn1)I)O)I cdp100fp2 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.119 Cc1c(c(ccc1O)Br)C fpzz0112fp3 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.119 Cc1c(c(ccc1O)I)C fpzz0112fp2 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.3 Cc1c(c(=O)nc[nH]1)Cl ct360fp2 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 Cc1c(c(=O)nc[nH]1)I ct360fp1 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.3 Cc1c(c(ccn1)Br)Cl cdp316fp9de1 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.3 Cc1c(c(ccn1)Cl)Cl rp298 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.3 Cc1c(c(ccn1)Cl)F cdp106de3fp1 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.3 Cc1c(c(ccn1)N)Br cdp316fp6 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.3 Cc1c(c(ccn1)N)Cl cdp316fp2 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.3 Cc1c(c(ccn1)N)I cdp316fp4 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.3 Cc1c(c(ccn1)N)N dap33 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.3 Cc1c(c(ccn1)O)I cdp100fp1 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.3 Cc1c(nccc1Cl)C ll017 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.3 Cc1ccnc(c1Br)C pb044vp1 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.3 Cc1ccnc(c1Br)O cdp236vp3de3 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.3 Cc1ccnc(c1C)O a006de12 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.3 Cc1cncc(c1Br)O a005de2 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.3 Cc1cncc(c1C)Br pb052vp1 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.3 Cc1cncc(c1C)C rp191 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.3 Cc1cncc(c1C)O cdp254de4 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.3 Cc1cncc(c1Cl)O a004de2 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.3 c1cnc(c(c1Br)O)Br rp278 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.3 c1cnc(c(c1I)O)I rp074 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.69 Cc1c(ccc(=O)[nH]1)O f011de1 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 Cc1cc(=O)[nH]cc1O f011de3 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 Cc1cc(c(nc1)C)O cdp254de3 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 Cc1cc(c(nc1)N)O cdp244fp3 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 Cc1cc(cc[n+]1[O-])Br cdp107fp16 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.69 Cc1cc(cc[n+]1[O-])Cl cdp080fp1 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.69 Cc1cc(cnc1C)Br pb051vp1 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 Cc1cc(cnc1C)O cdp254de1 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.69 Cc1cc(ncc1C)O a006de10 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.69 Cc1ccc(c(c1)S)O jmc070 [1,0,0,0,0,0|1,1,1]=4 35 B9R1.69 Cc1ccc(nc1C)N rp261 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 Cc1ccc(nc1O)C a006de15 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 Cn1ccc(nc1=O)N dn044 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 c1cc(c(cc1O)O)S bio027 [1,0,0,0,0,0|2,1,0]=4 39 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C fpzz0112fp1de1 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.32 Cc1c(=O)[nH]c(=O)n(c1F)C dn048 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.32 Cc1c(c(c(cc1Br)Br)O)C fpzz0112fp4 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.32 Cc1cn(c(=O)n(c1=O)C)C dn031 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.278 CCn1ccc(=O)c(c1C)O un337 [0,1,0,0,0,0|0,0,0]=1 44 B8R1.4 Cc1cc(ccn1)Br cdp107 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.4 Cc1cc(ccn1)Cl cdp080 [2,0,0,0,0,0|1,0,1]=4 46 B8R1.4 Cc1cc(ccn1)F cdp075 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.4 Cc1cc(ccn1)I cdp316fp1 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.4 Cc1cc(ccn1)O cdp100 [2,0,0,0,0,0|0,0,2]=4 49 B8R1.4 Cc1cc(cnc1)O cdp244 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 Cc1cccc(n1)O cdp208 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.4 c1c[nH]c(=O)cc1Br a007 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 c1c[nH]c(=O)oc1=O nh008 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.5 Cc1c(cccn1)F un146 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.5 Cc1c(cccn1)I cdp062fp1 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.5 Cc1c(cncn1)O ct360de5 [2,0,0,0,0,0|1,0,1]=4 56 B8R1.5 Cc1ccncc1O cdp254 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.5 Cc1cnccc1O cdp287 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 c1cc(c(nc1)F)O cdp005 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.5 c1cc(c(nc1)O)O cdp021 [2,0,0,0,0,0|1,0,1]=4 60 B8R1.5 c1cncc(c1Cl)O a004 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.5 c1cncc(c1F)O un190 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.5 c1cncc(c1N)O un005 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.5 c1cncc(c1O)O cdp271 [2,0,0,0,0,0|0,0,2]=4 64 B10R1.2 Cc1c(nccc1CO)C cia036lit3de6 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.2 Cc1cccc(c1C)CN a059 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.22 Cc1c(c(cc(n1)Br)Br)O rp179 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.22 Cc1cc(nc(c1O)C)C cdp254de5 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.25 Cc1cc(ccc1CN)N dn093 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.25 Cc1ccc(c(c1)C)CI cic036 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.30 CCC1=CC(=O)C=CC1=O a286 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.30 Cc1ccc(cc1CN)N dn094 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.30 Cc1ccc(cc1OC)N a069 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.176 CCn1ccc(=O)c(c1)O un340 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.3795 Cc1c(c(=O)n(c(=O)n1C)C)Br dn055 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.893 Cc1ccc(c(c1C)O)[N+](=O)[O-] fpzz0112fp6 [0,2,0,0,0,0|1,0,0]=3