0 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|0,0,3]=4 2 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.1 C\C(=N/C#N)\OC LS41000 [0,1,0,0,0,0|2,0,1]=4 4 B6R0.2 CC(=O)NC(=N)N LS40272 [0,1,0,0,0,0|3,0,0]=4 5 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.5 CC(C)(C)CC=O LS40274 [0,1,0,0,0,0|0,0,2]=3 9 B6R0.5 C[Si](C)(C)CC=C LS40348 [0,1,0,0,0,0|1,1,1]=4 10 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 Cc1[nH]ccn1 LS20670 [0,0,0,1,0,0|3,0,0]=4 12 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|2,0,0]=3 14 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,1,0,0|1,0,2]=4 16 B6R1.2 Cn1cccn1 LS20706 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 Cn1ccnc1 LS20202 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 c1c[nH]nc1N LS20237 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 c1cc(sc1)Br LS20644 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 c1cc(sc1)Cl LS21132 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 c1cc(sc1)S LS21100 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.2 c1cnsc1N LS20872 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 c1cocc1Br LS20289 [0,0,0,1,0,0|1,0,2]=4 24 B6R1.2 c1conc1N LS20282 [0,0,0,1,0,0|2,0,1]=4 25 B6R1.2 c1cscc1Br LS20645 [0,0,0,1,0,0|1,1,1]=4 26 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 27 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|2,0,0]=4 28 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|1,0,0]=3 32 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 33 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|1,0,1]=4 59 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 60 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,1,0,0|2,0,0]=4 61 B5R1.1 c1cnoc1 LS21145 [1,0,0,1,0,0|1,0,1]=4 62 B5R1.1 c1cnsc1 LS21251 [1,0,0,1,0,0|1,1,0]=4 63 B7R1.1 c1cc(sc1)CO LS20642 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.2 Cc1cc(cs1)Br LS20656 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.2 Cc1cc(no1)N LS21146 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 Cc1ccc(s1)Br LS20655 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.2 Cc1ccn(n1)C LS20249 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 Cc1cnc(s1)N LS20937 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.4 Cc1ccsc1Br LS20654 [0,1,0,1,0,0|0,1,1]=4 76 B7R1.4 Cc1ccsc1Cl LS20652 [0,1,0,1,0,0|0,1,1]=4 77 B7R1.4 Cn1c(ccn1)N LS20177 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.6 C1C(=CC#N)CO1 LS41148 [0,1,0,1,0,0|1,0,1]=4