0 B5R0.2 C#CCCCBr 4079721 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCCN 4063954 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCCCN 4075680 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 C=CCCNC 4110731 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CNCCSC 4036386 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 COCCNN 4108243 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.2 NNCCCO 4085333 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 C=CCC(O)CN 4080175 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 CCC(O)CNN 4030953 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 CNCC(C)OC 4031677 [0,1,0,0,0,0|2,1,0]=4 15 B6R0.1 COC(C)CCN 4043534 [0,1,0,0,0,0|1,1,1]=4 16 B6R0.1 COCC(N)CO 4030437 [0,1,0,0,0,0|0,1,2]=4 17 B6R0.1 COCC(O)CN 4001723 [0,1,0,0,0,0|1,1,1]=4 18 B6R0.1 CSC\C(N)=N\O 4042689 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.4 C=CCNC(C)C 4026873 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.4 C=CCNC(C)C 4090944 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.4 CCCCC(=N)N 4012905 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.4 CCOCC(=N)N 4018504 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.4 CCOCC(=N)N 4088124 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 CNCCC(=O)O 4036102 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.4 CNCCC(N)=O 4029061 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.4 COCCC(C)=O 4022132 [0,1,0,0,0,0|0,1,0]=2 27 B6R0.4 CSCCC(=N)N 4042665 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.4 NC(=O)CCCCl 4028442 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.6 C#CCNCC=C 4013089 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.6 C#CCNCC=C 7355693 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.6 C=CCCCCN 4067494 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.6 C=CCNCCC 4031693 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.6 CCCSCCN 4033597 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCSCCN 4089004 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.6 CCOCCNC 4030249 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.6 CNCCCOC 4021520 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.6 COCCN=C=O 4027817 [0,1,0,0,0,0|0,1,1]=3 38 B6R0.6 FCCCCCBr 4041608 [0,1,0,0,0,0|2,0,1]=4 39 B6R1.1 C1=CCONC1 4044151 [0,0,0,1,0,0|2,1,0]=4 40 B6R1.1 C1CCONC1 4013260 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 NC1CCOC1 4003522 [0,0,0,1,0,0|1,1,1]=4 42 B6R1.3 CNCC1CC1 4033531 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.6 NCC1CCC1 4003518 [0,0,0,1,0,0|2,0,1]=4 44 B5R0.1 C#CCC(=O)O 4035749 [1,1,0,0,0,0|0,0,2]=4 45 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|0,0,2]=4 46 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 COCC(=N)N 4018503 [1,1,0,0,0,0|1,1,0]=4 49 B5R0.1 NC(=O)CCO 4070037 [1,1,0,0,0,0|0,1,0]=3 50 B5R0.1 NCCC(N)=O 4034723 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.3 CC[C@@H](O)CN 4036900 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.3 CNC(C)CO 4028640 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.3 COC(C)CN 4031070 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.3 COC(C)CO 4045600 [1,1,0,0,0,0|0,1,1]=4 55 B7R0.2 CCC(C)CC(=N)N 4012909 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.2 CCC(C)CC(=N)N 4088237 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.2 CCN(C)CC(=O)O 4026801 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.2 CCN(C)CC(C)=O 4028374 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.2 CCN(C)CC(C)=O 4088950 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.2 CNC(C)CC(=O)O 4035495 [0,2,0,0,0,0|1,0,0]=3 63 B7R0.2 CNC(C)CC(N)=O 4043924 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.3 CCOCC(=O)NN 4024074 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.3 CCOCC(=O)NN 4089996 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.3 CNC(=O)CCCN 4030090 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.3 CNCCC(=O)NC 4030744 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.3 COCC\C(N)=N/O 4035623 [0,2,0,0,0,0|0,1,1]=4 69 B7R0.5 CCNC(C)C(N)=O 4030069 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.5 CCNC(C)C(N)=O 4089759 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.5 CCOC(C)C(=O)O 4020873 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.5 CCSC(C)C(=O)O 4028492 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.5 CNCC(C)C(=O)O 4043069 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.4 C=CCNCC(C)C 4029119 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.4 C=CCSCC(=O)O 4026839 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.4 CC(=O)NCCCO 4032317 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.4 CCCCCC(=N)N 4012907 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.4 CCCCCC(=N)N 4088605 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.4 CCCOCC(=O)O 4020861 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.4 CCCSCC(=O)O 4028731 [0,2,0,0,0,0|1,0,0]=3 81 B7R0.4 CCSCCC(=O)O 4028457 [0,2,0,0,0,0|0,0,0]=2 82 B7R0.4 COCCNC(=N)N 4018285 [0,2,0,0,0,0|1,1,0]=4 83 B7R0.6 CC(=O)CCN(C)C 4090669 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.6 CC(=O)CCN(C)C 5108147 [0,2,0,0,0,0|1,0,0]=3 85 B7R0.6 CC(C)CCC(=N)N 4012910 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.6 CC(C)CCC(=N)N 4091144 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.6 CC(C)NCC(=O)O 4028411 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.6 CC(C)OCC(=O)O 4020858 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.6 CC(C)SCC(=O)O 4028613 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.6 CN(C)CCC(=N)N 4033502 [0,2,0,0,0,0|2,0,0]=4 91 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|1,0,1]=4 92 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,1]=4 93 B5R1.2 FC1CNC1 4108317 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|0,0,2]=4 95 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|1,0,1]=4 96 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|0,0,1]=3 97 B7R1.1 C=CC1CCNC1 4051562 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.1 CCC1C=CCN1 4030606 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.2 CC1CNC(=O)O1 4043936 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.2 CC1COC(=O)N1 4045335 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,1,0,0|0,0,0]=2 104 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,1,0,0|1,0,0]=3 105 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.25 CC1(CO)CSC1 4048667 [0,1,0,1,0,0|0,0,2]=4 108 B7R1.20 CC(=O)CC1CC1 4002838 [0,1,0,1,0,0|1,0,0]=3