0 B6R0.5 CSCC(C)(C)N D76732 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.5 C[N+](C)(C)CCO C16169 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.4 CC(C)(F)CI AC1604 [1,0,0,0,0,0|3,0,0]=4 3 B5R0.4 CC(C)(F)CN 85780 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.8 C#CCCC(C)(C)O D79338 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.8 CC(C)(N)CCC#N 79588 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.11 CCC(C)(C)CC=O Y14611 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.11 CCC[C@](C)(N)CO D75112 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.11 C[C@@](O)(CO)CCO A11223 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.14 CC(C)(O)[C@@H](F)CN 89813 [0,1,0,0,0,0|3,0,0]=4 10 B7R1.14 C[C@]1(F)CCNC1 P19721 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.14 C[C@]1(F)CCNC1 P19900 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.14 C[C@]1(O)CCNC1 95716 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.16 CC1(O)CC(N)C1 P19045 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.16 C[C@]1(F)C[C@@H](N)C1 91899 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.16 C[C@]1(F)C[C@H](N)C1 91900 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.16 C[C@]1(N)C[C@@H](N)C1 D79664 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.16 C[C@]1(O)C[C@@H](N)C1 P13179 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.16 C[C@]1(O)C[C@H](N)C1 38619 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.21 NC1(CCO)CC1 50078 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.23 OC[C@H]1CC1(F)F D97114 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.23 OC[C@H]1CC1(F)F P18897 [0,0,0,1,0,0|3,0,0]=4 24 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,1,0,0,0,0|0,0,1]=3 26 B6R0.3 CC(C)[C@@H](N)CO Y13602 [1,1,0,0,0,0|1,0,0]=3 27 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.14 CC(C)(C)[C@@H](N)CC#N Y14486 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.34 CC(C)(CN)CC(=O)O C11423 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.26 CC(C)(C)N(CO)CO AC9634 [0,2,0,0,0,0|2,0,0]=4 31 B6R1.2 CN1CCNC1 AC8535 [1,0,0,1,0,0|1,0,1]=4 32 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|1,0,0]=3 33 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [1,0,0,1,0,0|2,0,0]=4 34 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|1,0,0]=3 35 B6R1.9 CC1(C)C[C@@H]1Br P17575 [1,0,0,1,0,0|2,0,0]=4 36 B6R1.7 CC1(CBr)CC1 D96531 [1,0,0,1,0,0|2,0,0]=4 37 B6R1.7 OCC1(Cl)CC1 96433 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.51 CC1(C)C[C@H](O)CN1 P16596 [0,1,0,1,0,0|1,0,0]=3 39 B8R1.53 CC1(C)C[C@H](CN)O1 CS2412 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.55 CC(C)(N)C1COC1 P20035 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.19 CC1(C)CNC[C@@H]1O W16893 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.48 CC1(C)CO[C@H]1CN P15244 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.52 CO[C@@]1(C)CCNC1 C77432 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.52 C[C@]1(CF)CCNC1 73105 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.62 C[C@]1(CO)C[C@@H](N)C1 D97130 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.66 OCCC1(F)COC1 P12174 [0,1,0,1,0,0|2,0,0]=4 47 B8R2.43 CC12CC(N)(C1)C2 57465 [0,0,0,2,0,0|2,0,0]=4 48 B8R2.43 NC12CC(O)(C1)C2 P16024 [0,0,0,2,0,0|2,0,0]=4 49 B8R2.43 OC12CC(O)(C1)C2 P18445 [0,0,0,2,0,0|2,0,0]=4 50 B8R2.53 NC1CC2(CC2)C1 D73463 [0,0,0,2,0,0|2,0,0]=4 51 B8R2.53 OC1CC2(CC2)C1 D95196 [0,0,0,2,0,0|1,0,0]=3