0 B5R0.4 CC(C)(F)CI AC1604 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.4 CC(C)(F)CN 85780 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C=C[C@H](C)N N11431 [1,0,0,0,0,0|1,0,0]=2 3 B4R0.1 C[C@H](N)C#N 96735 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 C[C@H](N)CF AC1331 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.5 CSCC(C)(C)N D76732 [0,1,0,0,0,0|1,0,2]=4 6 B6R0.8 CC(C)(C#N)CBr AC8195 [0,1,0,0,0,0|2,0,1]=4 7 B6R1.7 C=CC1(O)CC1 F53569 [0,0,0,1,0,0|0,0,0]=1 8 B6R1.7 CC1(CBr)CC1 D96531 [0,0,0,1,0,0|2,0,1]=4 9 B6R1.7 NCC1(F)CC1 P18486 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.7 OCC1(Cl)CC1 96433 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.9 CC1(C)C[C@@H]1Br P17575 [0,0,0,1,0,0|2,0,1]=4 12 B5R0.1 C=CC[C@H](C)N D84793 [1,1,0,0,0,0|1,0,0]=3 13 B5R0.1 CN(C)NC=O 20013 [1,1,0,0,0,0|2,0,0]=4 14 B5R0.3 C=C[C@@H](N)CC 68012 [1,1,0,0,0,0|1,0,0]=3 15 B5R0.3 C=C[C@@H](N)CO Y14326 [1,1,0,0,0,0|1,0,0]=3 16 B5R0.5 CC(N)C(C)O Y13729 [1,1,0,0,0,0|0,0,2]=4 17 B5R0.5 C[C@H](N)[C@H](C)O F16993 [1,1,0,0,0,0|0,0,2]=4 18 B7R0.8 C#CCCC(C)(C)O D79338 [0,2,0,0,0,0|0,0,2]=4 19 B7R0.11 CCC(C)(C)CC=O Y14611 [0,2,0,0,0,0|1,0,1]=4 20 B7R0.11 C[C@@](O)(CO)CCO A11223 [0,2,0,0,0,0|0,0,2]=4 21 B7R0.14 CC(C)(O)[C@@H](F)CN 89813 [0,2,0,0,0,0|0,0,2]=4 22 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [0,2,0,0,0,0|2,0,0]=4 23 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|1,0,1]=4 24 B7R1.14 C[C@]1(O)CCNC1 95716 [0,1,0,1,0,0|0,0,2]=4 25 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,1,0,1,0,0|0,0,2]=4 26 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,1,0,1,0,0|0,0,2]=4 27 B7R1.16 CC1(O)CC(N)C1 P19045 [0,1,0,1,0,0|0,0,2]=4 28 B7R1.16 C[C@]1(O)C[C@@H](N)C1 P13179 [0,1,0,1,0,0|0,0,2]=4 29 B7R1.16 C[C@]1(O)C[C@H](N)C1 38619 [0,1,0,1,0,0|0,0,2]=4 30 B7R1.17 CC1(C)CC[C@@H]1O P17222 [0,1,0,1,0,0|0,0,2]=4 31 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|0,0,2]=4 32 B7R1.25 C#CC1(O)CCC1 D96869 [0,1,0,1,0,0|0,0,2]=4 33 B7R1.25 C[C@]1(CO)CCO1 CS1015 [0,1,0,1,0,0|0,0,2]=4 34 B7R1.25 OCC1(O)CNC1 P14885 [0,1,0,1,0,0|1,0,1]=4 35 B7R1.25 OCC1(O)COC1 P16013 [0,1,0,1,0,0|1,0,1]=4 36 B7R1.29 C#CC1(CO)CC1 P15770 [0,1,0,1,0,0|0,0,2]=4 37 B7R1.29 O=CC1(CF)CC1 32102 [0,1,0,1,0,0|2,0,0]=4 38 B7R2.16 C1CC2(C1)CO2 AC8443 [0,0,0,2,0,0|0,0,2]=4 39 B7R2.16 C1OCC12CO2 AT11436 [0,0,0,2,0,0|1,0,1]=4