0 B5R0.3 CCC(C)NN WX684015 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CC[C@H](C)C#C WXC02726 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 CC(C)NN WX684009 [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 CCC(=N)N WX619910 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.2 C(=C\N)/C=O WXC00375 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.3 CNC(=O)C(=O)O WXC01945 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.3 COC(=O)C(=N)N WX619922 [0,1,0,0,0,0|3,0,0]=4 7 B6R1.2 c1c(cn[nH]1)Br WX637010 [0,0,0,1,0,0|3,0,0]=4 8 B6R1.2 c1c(cn[nH]1)F WX639012 [0,0,0,1,0,0|3,0,0]=4 9 B6R1.2 c1c(cn[nH]1)N WX609205 [0,0,0,1,0,0|3,0,0]=4 10 B5R0.1 C(CF)C(=O)O WX610266 [1,1,0,0,0,0|1,0,1]=4 11 B5R0.1 CC(=O)CNC WX600212 [1,1,0,0,0,0|0,0,1]=3 12 B5R0.1 CC(=O)\C=N\O WX690228 [1,1,0,0,0,0|1,0,0]=3 13 B5R0.5 CN(C)C(=N)N WX619912 [1,1,0,0,0,0|2,0,0]=4 14 B5R0.5 CN(C)C(=N)N WX619935 [1,1,0,0,0,0|2,0,0]=4 15 B5R0.2 CCO\C=C/Br WX630081 [1,1,0,0,0,0|1,0,1]=4 16 B7R0.10 CCN(C)C(=O)CBr WX630206 [0,2,0,0,0,0|1,0,1]=4 17 B5R1.2 C1C(=O)CN1 WXC03556 [1,0,0,1,0,0|1,0,1]=4 18 B5R1.2 C1C(=O)CO1 WX625042 [1,0,0,1,0,0|1,0,1]=4 19 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,1,0,0|1,0,1]=4 20 B7R1.1 CCc1c[nH]nc1 WX690051 [0,1,0,1,0,0|2,0,0]=4 21 B7R1.1 CSc1c[nH]nc1 WXC00643 [0,1,0,1,0,0|2,0,0]=4 22 B7R1.1 c1c(cn[nH]1)C=O WX624203 [0,1,0,1,0,0|1,0,1]=4 23 B7R1.1 c1c(cn[nH]1)CO WX640336 [0,1,0,1,0,0|2,0,0]=4 24 B7R1.1 c1c(nc[nH]1)C=O WX624178 [0,1,0,1,0,0|1,0,1]=4 25 B7R1.1 c1c(scn1)C=O WX624055 [0,1,0,1,0,0|1,0,1]=4 26 B7R1.1 c1c[nH]nc1C=O WX624059 [0,1,0,1,0,0|1,0,1]=4 27 B7R1.1 c1conc1C=O WX624030 [0,1,0,1,0,0|1,0,1]=4 28 B7R1.1 c1csc(n1)C=O WX624188 [0,1,0,1,0,0|1,0,1]=4 29 B7R1.2 Cc1[nH]cc(n1)Br WX637072 [0,1,0,1,0,0|2,0,0]=4 30 B7R1.2 Cc1[nH]cc(n1)I WXC02628 [0,1,0,1,0,0|2,0,0]=4 31 B7R1.2 Cc1cn(cn1)C WX690226 [0,1,0,1,0,0|2,0,0]=4 32 B7R1.2 Cc1cnc([nH]1)I WX638055 [0,1,0,1,0,0|2,0,0]=4 33 B7R1.2 Cc1cnc(o1)N WX606013 [0,1,0,1,0,0|2,0,0]=4 34 B7R1.2 Cc1cnc(s1)Br WX637317 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.2 Cc1cnc(s1)N WX609460 [0,1,0,1,0,0|2,0,0]=4 36 B7R1.2 Cc1coc(n1)N WX609465 [0,1,0,1,0,0|1,0,1]=4 37 B7R1.2 Cc1csc(n1)Br WX637318 [0,1,0,1,0,0|1,1,0]=4 38 B7R1.2 Cc1csc(n1)Cl WX636051 [0,1,0,1,0,0|1,1,0]=4 39 B7R1.2 Cc1csc(n1)N WX609462 [0,1,0,1,0,0|1,1,0]=4 40 B7R1.2 Cn1cc(cn1)I WX638028 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.2 Cn1cc(cn1)N WX609216 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.2 Cn1cc(cn1)N WX609487 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.2 Cn1cc[n+](c1)C WXC04172 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.4 Cc1c(nc[nH]1)Br WX637071 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.4 Cc1c[nH]nc1Br WX637002 [0,1,0,1,0,0|2,0,0]=4 46 B7R1.4 Cc1c[nH]nc1I WX638015 [0,1,0,1,0,0|2,0,0]=4 47 B7R1.4 Cc1c[nH]nc1N WX609470 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.4 Cc1cn[nH]c1I WX638024 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.4 Cc1conc1N WX609211 [0,1,0,1,0,0|1,0,1]=4 50 B7R1.12 CC1CC1C(=O)O WX610273 [0,1,0,1,0,0|0,0,2]=4 51 B7R1.12 C[C@H]1C[C@@H]1C(=O)O WX611005 [0,1,0,1,0,0|0,0,2]=4 52 B7R1.19 CC1(CC1)C(=O)O WX610274 [0,1,0,1,0,0|0,0,2]=4