0 B8R1.8 C=CCc1cccs1 DA-28564 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CC#Cc1cnco1 DA-38828 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CCCn1cccn1 DA-29084 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.8 CCNc1nncs1 DA-45992 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 COCc1c[nH]nc1 DA-22173 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 c1c(scn1)CCO DA-36994 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 c1cn(nn1)CCCl DA-31425 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 c1csc(n1)CCN DA-25633 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.8 c1csc(n1)CCO DA-25632 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 CCc1cscn1 DA-39415 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.1 COn1ccnc1 DA-29266 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 CSc1cncs1 DA-38363 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 c1c(ocn1)CN DA-38882 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.1 c1cc([nH]c1)CN DA-29370 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.1 c1cnsc1CO DA-33462 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 c1cscc1CCl DA-42947 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 c1nc([nH]n1)CN DA-29366 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 c1nc([nH]n1)CO DA-29372 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 c1nnc(s1)CO DA-42309 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.7 CCCc1cnc(s1)N DA-42553 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.7 CCOc1cnc(s1)C DA-37405 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.7 Cc1cc(n[nH]1)CCN DA-37151 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.7 Cc1csc(n1)CCN DA-39132 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.7 Cn1cc(nc1)CCN DA-29244 [0,1,0,0,0,0|0,0,2]=3 24 B9R1.12 CNCCc1ccco1 DA-44520 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.12 CNCCc1cccs1 DA-41516 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.12 c1c(cn[nH]1)CCCO DA-29342 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.12 c1cc(oc1)CCCBr DA-28480 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.12 c1cc(oc1)CCCO DA-26189 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.12 c1cn(cn1)CCC=O DA-29355 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.12 c1nc([nH]n1)CCCN DA-29365 [0,1,0,0,0,0|1,0,1]=3 31 B9R1.13 CC(Cc1nccs1)N DA-30516 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.13 CC(Cn1cccn1)N DA-31631 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.33 CN1CNC=C1CCN DA-28777 [0,1,0,0,0,0|0,0,2]=3 34 B9R1.33 Cc1c(nc[nH]1)CCO DA-37157 [0,1,0,0,0,0|1,0,2]=4 35 B9R1.33 Cc1c(scn1)CCBr DA-38791 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.33 Cc1cccn1CCN DA-25957 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.33 Cc1ccsc1CCO DA-28107 [0,1,0,0,0,0|3,0,0]=4 38 B9R2.2 c1c([nH]cn1)C2CO2 DA-38756 [0,0,0,1,0,0|1,0,0]=2 39 B9R2.2 c1c(ncs1)C2CC2 DA-23110 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.8 c1c(cncn1)CC#N DA-37016 [0,0,0,0,0,1|0,0,3]=4 41 B9R1.8 c1c(cncn1)CCO DA-40983 [0,0,0,0,0,1|1,0,1]=3 42 B9R1.8 c1ccc(cc1)CNN DA-35038 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.8 c1cnncc1CCN DA-38977 [0,0,0,0,0,1|1,0,0]=2 44 B6R1.2 Cc1ccc[nH]1 DA-25958 [2,0,0,0,0,0|1,0,0]=3 45 B6R1.2 c1c(=O)[nH]sn1 DA-30345 [2,0,0,0,0,0|2,0,0]=4 46 B6R1.2 c1c([nH]nn1)N DA-29375 [2,0,0,0,0,0|1,0,0]=3 47 B6R1.2 c1c(scn1)I DA-37263 [2,0,0,0,0,0|2,0,0]=4 48 B6R1.2 c1c(scn1)O DA-36993 [2,0,0,0,0,0|2,0,0]=4 49 B6R1.2 c1ncn(n1)N DA-29374 [2,0,0,0,0,0|1,0,1]=4 50 B6R1.2 c1nnc(s1)N DA-30299 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.1 CCc1csc(n1)Br DA-26848 [1,1,0,0,0,0|1,0,1]=4 52 B8R1.1 CCn1cc(nc1)Br DA-21447 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.1 CCn1cc(nc1)I DA-29404 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.1 CCn1cc(nc1)N DA-29430 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.1 Cc1[nH]c(cn1)CBr DA-38453 [1,1,0,0,0,0|1,0,0]=3 56 B8R1.7 CC(c1cscn1)Cl DA-23022 [1,1,0,0,0,0|1,0,1]=4 57 B8R1.11 CCc1c(scn1)C DA-39425 [1,1,0,0,0,0|1,0,1]=4 58 B8R1.11 CCn1cncc1I DA-29397 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.11 Cc1c([nH]cn1)CBr DA-38449 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.11 Cc1c(scn1)CBr DA-38448 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.11 Cc1c(scn1)OC DA-37189 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.11 Cn1cccc1SC DA-29221 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.11 Cn1cncc1CCl DA-40666 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.1 Cc1ccc(cn1)CCBr DA-38792 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.1 Cc1ccc(cn1)CCCl DA-38785 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.1 c1cc(ncc1Br)CCN DA-37808 [0,1,0,0,0,1|1,0,1]=4 67 B10R1.1 c1cc(ncc1Cl)CCN DA-38905 [0,1,0,0,0,1|1,0,1]=4 68 B10R1.4 Cc1cccnc1CCN DA-23374 [0,1,0,0,0,1|1,0,1]=4 69 B10R1.10 CCCc1ccnc(c1)N DA-38978 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.17 c1ccnc(c1)NCCN DA-39978 [0,1,0,0,0,1|1,0,1]=4 71 B10R1.130 Cc1c(sc(n1)C)CCO DA-27262 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.11 c1cscc1C(CCN)O DA-24344 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.29 Cc1c(scn1)CCCCl DA-38702 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.66 CC(=O)CCc1cncs1 DA-48319 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.66 CN(C)CCc1cscn1 DA-40712 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.66 c1c([nH]nn1)CCC(=O)O DA-29367 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.281 CC(C)(Cc1cccs1)N DA-25968 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.281 CC(C)(Cc1ccsc1)N DA-25967 [0,2,0,0,0,0|2,0,0]=4 79 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [0,0,0,1,0,1|2,0,0]=4 80 B10R2.7 c1cc2c(nc1)CCN2 DA-27427 [0,0,0,1,0,1|1,0,1]=4 81 B10R2.14 c1c(oc(n1)N)C2CC2 DA-37419 [0,1,0,1,0,0|2,0,0]=4 82 B10R2.32 c1csc2c1C(CC2)N DA-38252 [0,1,0,1,0,0|2,0,0]=4 83 B10R2.16 c1c([nH]cn1)C2(CC2)O DA-31634 [0,1,0,1,0,0|1,0,0]=3