0 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CC[C@H](S)CCO D84734 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.3 CC[C@H](C)CN 88665 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.3 CC[C@H](N)C#N 98383 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.3 CN[C@@H](C)CO C77593 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.3 CN[C@@H](C)CO D80042 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.3 CN[C@@H](C)CO D80344 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.3 CN[C@@H](C)CO D82586 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.3 CO[C@@H](C)CN 91001 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 CO[C@@H](C)CO 91002 [1,0,0,0,0,0|1,1,1]=4 13 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,0,0,0,0|1,1,1]=4 15 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,0,0,0,0|1,1,1]=4 16 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,0,0,0,0|1,1,1]=4 17 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,0,0,0,0|1,1,1]=4 19 B7R0.11 CCC(C)(C)CCCl F50555 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,1,0,0|0,1,2]=4 24 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,1,0,0|0,1,2]=4 25 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|1,1,1]=4 35 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|1,1,1]=4 36 B7R1.21 CC1(CCO)CC1 P14058 [0,0,0,1,0,0|1,1,1]=4 37 B7R1.25 CCC1(C)CNC1 D79218 [0,0,0,1,0,0|3,0,0]=4 38 B4R0.1 CC(C)CBr P19652 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 CC[C@H](C)N 74047 [2,0,0,0,0,0|0,0,1]=3 40 B4R0.1 C[C@H](Br)CN F11189 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 C[C@H](Br)CO W17591 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 C[C@H](Cl)CN Y14715 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.1 C[C@H](N)CF AC1136 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 C[C@H](N)CF AC6177 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.8 CC[C@](C)(N)C#N 25874 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.9 CCC(C#N)CC AC1599 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.9 CCC(CBr)CBr W17735 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.9 CC[C@@H](CN)CO Y13480 [1,1,0,0,0,0|0,1,1]=4 50 B8R0.3 COC(=O)[C@H](C)N=C=O T72257 [0,2,0,0,0,0|0,1,1]=4 51 B6R1.7 CC1(CN)CC1 W10016 [1,0,0,1,0,0|1,0,1]=4 52 B6R1.7 CC1(CO)N=N1 F18398 [1,0,0,1,0,0|2,0,0]=4