0 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,0,0,0,0|2,1,0]=3 2 B6R0.4 CC(C)OCCS AT13760 [1,0,0,0,0,0|2,1,0]=4 3 B6R0.4 CCNC[C@H](C)O 91070 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,1,0,0,0,0|3,0,0]=4 5 B8R0.9 CCC(C)CCC(C)N C14677 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 CC(C)[C@@H](N)CN(C)C C78255 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.23 CC(C)[C@@H](N)CN(C)C C78460 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.23 CC(C)[C@@H](N)CN(C)C C78501 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.29 CC(C)CCC(C)(C)C T72348 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.29 CN(C)CCC(C)(C)N Y10201 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.3 CC1CNC(C)CN1 AC2834 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.3 CC1CNC(C)CN1 AT23784 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.3 CC1COC(C)CN1 F12415 [0,0,0,1,0,0|2,1,0]=4 16 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,0,0,1,0,0|2,1,0]=4 19 B8R1.23 CC(C)N1CC(O)C1 P11847 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.35 CC(C)CNC1CC1 AC5587 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,0|2,0,1]=4 22 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,0,0,1,0|2,0,0]=3 23 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,0,0,0,1,0|3,0,0]=4 24 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,1,0|3,0,0]=4 25 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,1,0|3,0,0]=4 26 B8R0.28 CC(C)CNCC(C)C A11894 [0,0,0,0,0,1|2,0,0]=3 27 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CONC(C)C AT24926 [2,0,0,0,0,0|1,1,0]=4 30 B5R0.1 CSC[C@H](C)N AT10784 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 C\C=C/C(C)C T72834 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.3 CCSC[C@H](C)NN D88052 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.4 CC(C)CSCCN AT25570 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.5 CCOC(=N)C(C)C W12825 [1,1,0,0,0,0|1,1,0]=4 35 B7R0.8 CC(C)(C)SCCBr AT13957 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.8 CC(C)(C)SCCI AT13958 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.8 CC(C)(C)SCCO AT13948 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.8 CC(C)(C)SCCS AT13955 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.8 CCCNC(C)(C)C AT13992 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.8 CC\C=C/C(C)(C)C T71234 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.16 CC(C)C(C)C(C)C T72628 [0,1,0,0,1,0|1,0,0]=3 42 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,1,0,0,0,1|2,0,0]=4 43 B7R1.2 CC1CNC(C)C1 83923 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.3 C[C@H]1CNCCS1 AT10751 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 C[C@H]1CNCCS1 AT25278 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 C[C@H]1CSCCN1 AT10756 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.3 C[C@H]1CSCCN1 AT10759 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.20 CC(C)NC1CC1 AT12484 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.66 CC1(C)C[C@@H](N)CCS1 89937 [0,0,0,1,0,1|2,0,0]=4 53 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,0,0,1,0,1|2,0,0]=4 54 B9R1.1 CC1CCC(CBr)CC1 72498 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.1 CC1CCC(CCl)CC1 AC2846 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.10 C[C@H]1CNC(C)(C)CN1 P16872 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.95 CC(C)N1CC(CN)C1 P13011 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12516 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.133 CC1(C)C[C@H](CO)CN1 83588 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.133 CC1(C)C[C@H](CO)CO1 54908 [0,1,0,1,0,0|1,1,0]=4 62 B9R1.138 CC1NCC(C)(C)C1O 94945 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.36 C[C@H]1CC(C)(C)NC1=O AT26047 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.112 CC(C)[C@H](C)NC1CC1 78461 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.153 CC1(C)NC(=O)C1(C)C AT19039 [0,1,0,1,0,0|2,0,0]=4 67 B9R2.49 C1CC2CCC1CN2 P11101 [0,0,0,2,0,0|2,0,0]=4 68 B5R0.5 CC(C)C(I)I AC2721 [0,0,0,0,2,0|2,0,0]=4 69 B5R0.5 CC(C)[C@H](C)Br AT23713 [0,0,0,0,2,0|1,0,0]=3 70 B5R0.5 CC(C)[C@H](C)N A12293 [0,0,0,0,2,0|1,0,0]=3 71 B5R0.5 CC(N)C(C)N AT12970 [0,0,0,0,2,0|2,0,0]=4 72 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [0,0,0,0,2,0|2,0,0]=4