0 B7R0.4 CC(C)NCCCN 3020450 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 COCCNC(=N)N 4090647 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 CCCCC(=N)N 4090419 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.4 CNCCC(=O)O 4088781 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.4 CNCCC(N)=O 4090391 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.6 C=CCNCCC 4088685 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.1 CCC1CCC(=O)N1 4027451 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.1 CCC1CNC(=O)C1 4026756 [0,0,0,1,0,0|1,0,0]=2 9 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 CC1CNCC(=O)N1 4049339 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.7 CC(N)C1CCCC1 4090794 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.35 CC(C)NCC1CC1 4090465 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.72 CC1(N)CCCCC1 4090363 [0,0,0,1,0,0|2,0,1]=4 18 B5R0.2 COCCNN 4050590 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.2 COCCNN 4089703 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.2 CC[C@@H](N)CN(C)C 4066349 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.2 CC[C@H](N)CN(C)C 4069075 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.2 CNC(C)CC(=O)O 4090195 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.3 CCC(=O)NCCN 4028425 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.3 CCCOC(C)CN 4089733 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.3 CNC(=O)CCCN 4089383 [1,1,0,0,0,0|1,0,0]=3 26 B7R0.3 CNCCC(=O)NC 4088709 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.5 CNCC(C)C(=O)O 4088272 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.6 CC(N)CCN(C)C 4033886 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.7 CCCC(C)NCC 4090739 [1,1,0,0,0,0|1,0,1]=4 30 B7R1.14 CC1(N)CCCC1 4088523 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.1 CNC1CCOC1 4003583 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.4 NC1CCNC1=O 4019954 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.4 N[C@@H]1CCNC1=O 4101224 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.4 N[C@H]1CCNC1=O 4107612 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.6 CNCC1CCC1 4089393 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.13 O=C(O)CC1CCCN1 4090243 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.66 CC1(C)CCNC(=O)C1 4036163 [0,1,0,1,0,0|1,0,0]=3 47 B9R1.11 CNC(=O)C1CCCN1 4018265 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.11 CNC(=O)C1CCNC1 4029785 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.11 CNC(=O)[C@@H]1CCCN1 4088702 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.11 CNC(=O)[C@H]1CCCN1 4090109 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.11 NCC(=O)N1CCCC1 4088472 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|1,0,0]=3 54 B9R1.132 CN1C(=O)CCC1CN 4088603 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.132 CN1C(=O)CCC1CN 4111538 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.6 O=C(O)C1COCCO1 4016984 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.23 CN1CC(CN)CC1=O 4091208 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.147 CC1(CCC(=O)O)CC1 4012703 [0,1,0,1,0,0|2,0,0]=4 59 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,2,0,0|2,0,0]=4