0 B5R0.3 C=C[C@@H](N)CC 68012 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C=C[C@H](C)N N11431 [1,0,0,0,0,0|2,0,1]=4 2 B4R0.1 C[C@H](N)C#N 96735 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 C[C@H](N)CF AC1331 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.2 CNCCF AC6046 [1,0,0,0,0,0|3,0,0]=4 5 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [0,0,0,1,0,0|3,0,0]=4 6 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [0,0,0,1,0,0|3,0,0]=4 7 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [0,0,0,1,0,0|3,0,0]=4 8 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [0,0,0,1,0,0|3,0,0]=4 9 B6R1.6 C#CC1CCC1 P19139 [0,0,0,1,0,0|2,0,1]=4 10 B6R1.6 N#CC1CCN1 AT24531 [0,0,0,1,0,0|3,0,0]=4 11 B6R1.6 NC[C@H]1CCO1 P21081 [0,0,0,1,0,0|2,0,0]=3 12 B6R1.7 CC1(CBr)CC1 D96531 [0,0,0,1,0,0|3,0,0]=4 13 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [0,0,0,1,0,0|2,0,0]=3 14 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [0,0,0,1,0,0|2,0,0]=3 15 B6R1.8 CO[C@H]1C[C@H]1N P20154 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.8 CO[C@H]1C[C@H]1N P20156 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [0,0,0,1,0,0|3,0,0]=4 18 B5R0.4 CC(C)(F)CI AC1604 [1,1,0,0,0,0|2,0,0]=4 19 B5R0.4 CC(C)(F)CN 85780 [1,1,0,0,0,0|2,0,0]=4 20 B5R0.5 CC(N)C(C)O Y13729 [1,1,0,0,0,0|1,0,0]=3 21 B5R0.5 C[C@H](N)[C@H](C)O F16993 [1,1,0,0,0,0|1,0,0]=3 22 B5R0.2 CSCCCCl Y14621 [1,1,0,0,0,0|1,1,0]=4 23 B5R0.2 NOCCON D72368 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.10 C=C(OC)C(=O)OC 78623 [0,2,0,0,0,0|0,0,2]=4 25 B7R0.18 COP(=O)(OC)SC C11947 [0,2,0,0,0,0|1,0,0]=3 26 B5R1.4 N[C@H]1C[C@@H]1O C93527 [1,0,0,1,0,0|2,0,0]=4 27 B5R1.5 NC1(O)CC1 92034 [1,0,0,1,0,0|2,0,0]=4 28 B7R1.1 C#C[C@H]1CCOC1 38451 [0,1,0,1,0,0|1,0,1]=4 29 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,1,0,1,0,0|2,0,0]=4 30 B7R1.1 CC[C@H]1CCNC1 P14868 [0,1,0,1,0,0|2,0,0]=4 31 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,1,0,0|2,0,0]=4 32 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,1,0,1,0,0|2,0,0]=4 33 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,1,0,1,0,0|2,0,0]=4 34 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,1,0,0|2,0,0]=4 36 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,1,0,0|2,0,0]=4 38 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,1,0,0|1,0,0]=3 39 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,1,0,1,0,0|1,0,0]=3 42 B7R1.6 ICC[C@H]1CCO1 D79155 [0,1,0,1,0,0|1,0,0]=3 43 B7R1.6 NCC[C@H]1CCO1 D79157 [0,1,0,1,0,0|1,0,0]=3 44 B7R1.6 NCC[C@H]1CCO1 P17247 [0,1,0,1,0,0|1,0,0]=3 45 B7R1.6 OCC[C@H]1CCO1 D84844 [0,1,0,1,0,0|1,0,0]=3 46 B7R1.6 OCC[C@H]1CCO1 P19429 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.8 CN1CC[C@@H]1CN P13166 [0,1,0,1,0,0|2,0,0]=4 48 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,1,0,1,0,0|1,0,0]=3 49 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [0,1,0,1,0,0|1,0,0]=3 51 B7R1.25 C[C@]1(CO)CCO1 CS1015 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.18 C[C@H](N)C1CCC1 P15298 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,1,0,1,0,0|2,0,0]=4 55 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,1,0,1,0,0|2,0,0]=4 56 B7R2.16 C1CC2(C1)CO2 AC8443 [0,0,0,2,0,0|1,0,0]=3 57 B7R2.16 C1OCC12CO2 AT11436 [0,0,0,2,0,0|2,0,0]=4