0 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.22 OC1CCCNCC1 4088463 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.24 C1CNCCOC1 4036691 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.24 C1CNCCOC1 4088544 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,1,0,0,0,0|1,0,2]=4 7 B9R1.48 CC1CN(C)CCCN1 4089141 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.48 C[C@@H]1CN(C)CCCN1 4072236 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.48 C[C@H]1CN(C)CCCN1 4081265 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.89 CNC1CCCCCC1 4089903 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.148 CC1(N)CCCCCC1 4089106 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.3 CCC(=O)NCCN 4028425 [0,0,1,0,0,0|1,0,0]=2 15 B7R0.3 CNC(=O)CCCN 4089383 [0,0,1,0,0,0|1,0,0]=2 16 B7R0.3 CNCCC(=O)NC 4088709 [0,0,1,0,0,0|1,0,0]=2 17 B7R0.4 CC(C)NCCCN 3020450 [0,0,1,0,0,0|2,0,1]=4 18 B7R0.4 COCCNC(=N)N 4090647 [0,0,1,0,0,0|3,0,0]=4 19 B7R0.7 CCCC(C)NCC 4090739 [0,0,1,0,0,0|1,0,1]=3 20 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.3 CC1COCCN1 4037925 [0,0,0,0,1,0|2,0,1]=4 22 B7R1.3 NC1CCOCC1 4003544 [0,0,0,0,1,0|2,0,1]=4 23 B7R1.3 NC1CCOCC1 4089666 [0,0,0,0,1,0|2,0,1]=4 24 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,0,0,0,1,0|2,0,1]=4 25 B7R1.3 N[C@H]1CCCOC1 4105155 [0,0,0,0,1,0|2,0,1]=4 26 B6R0.6 C=CCNCCC 4088685 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.6 CCOCCNC 4089681 [1,0,1,0,0,0|1,0,1]=4 28 B6R0.4 CCCCC(=N)N 4090419 [1,0,1,0,0,0|1,0,0]=3 29 B6R0.4 CNCCC(=O)O 4088781 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.4 CNCCC(N)=O 4090391 [1,0,1,0,0,0|1,0,0]=3 31 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,1,1,0,0,0|2,0,0]=4 32 B8R0.8 CC(C)C(=O)NCCN 4090894 [0,1,1,0,0,0|1,0,0]=3 33 B8R0.8 CN(C)C(=O)CCCN 4089531 [0,1,1,0,0,0|1,0,0]=3 34 B8R0.8 CNCCC(=O)N(C)C 4034649 [0,1,1,0,0,0|1,0,0]=3 35 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,0,1,0|1,0,1]=4 36 B8R1.3 CC1CCC(N)CC1 3002871 [0,1,0,0,1,0|1,0,1]=4 37 B8R1.3 CC1CNC(=O)CN1 4045852 [0,1,0,0,1,0|1,0,0]=3 38 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,1,0,0,1,0|1,0,0]=3 39 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,1,0,0,1,0|1,0,1]=4 40 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,1,0,0,1,0|1,0,0]=3 41 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,1,0,0,1,0|0,0,0]=2 42 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,0,1,0|1,0,0]=3 43 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,0,1,0|1,0,0]=3 44 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,1,0,0,1,0|0,0,2]=4 45 B8R1.4 O=C1CNCC(=O)N1 4090724 [0,1,0,0,1,0|1,0,1]=4 46 B8R1.5 CN1CCNCC1=O 4090061 [0,1,0,0,1,0|1,0,0]=3 47 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,0,1,0|0,0,0]=2 48 B8R1.5 O=C1CCCNC1=O 4038506 [0,1,0,0,1,0|0,0,1]=3 49 B8R1.72 CC1(N)CCCCC1 4090363 [0,1,0,0,1,0|1,0,1]=4 50 B8R1.72 O=S1(=O)CCNCC1 4089409 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.72 O=S1(=O)COCCN1 4039479 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,2,0,0,0,0|0,0,1]=3 53 B8R1.8 CCNC1CCCC1 4088683 [0,0,1,1,0,0|1,0,1]=4 54 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [0,0,1,1,0,0|1,0,1]=4 55 B8R1.11 CN1CCCC1CN 4090027 [0,0,1,1,0,0|2,0,0]=4 56 B8R1.11 CN1CCC[C@@H]1CN 4055531 [0,0,1,1,0,0|2,0,0]=4 57 B8R1.11 CN1CCC[C@H]1CN 4076302 [0,0,1,1,0,0|2,0,0]=4 58 B8R1.1 CCC1CCC(=O)N1 4027451 [0,0,1,1,0,0|0,0,0]=2 59 B8R1.1 CCC1CNC(=O)C1 4026756 [0,0,1,1,0,0|0,0,0]=2 60 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,1,1,0,0|1,0,0]=3 61 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,1,1,0,0|2,0,0]=4 62 B8R1.40 NCC(=O)NC1CC1 4088865 [0,0,1,1,0,0|1,0,0]=3 63 B8R1.7 CC(N)C1CCCC1 4090794 [0,0,1,1,0,0|1,0,1]=4 64 B8R1.35 CC(C)NCC1CC1 4090465 [0,0,1,1,0,0|1,0,1]=4 65 B8R2.22 C1C[C@H]2CN[C@H]2C1 4042340 [1,0,0,1,0,0|0,0,1]=3 66 B8R2.34 C12CCC(CC1)N2 4097327 [0,0,0,1,1,0|1,0,1]=4 67 B10R2.2 O=C1C[C@H]2CNC[C@H]2N1 4110412 [0,0,0,1,0,1|0,0,0]=2 68 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 4089880 [0,0,0,1,0,1|1,0,1]=4 69 B6R1.1 C1CCONC1 4089921 [1,0,0,0,1,0|1,0,0]=3