0 B9R0.5 CCCCNC(=O)CNC 4025910 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,1,0,0,0,0|0,0,0]=1 3 B10R1.11 CCNC(=O)C1CCNC1 4030896 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.11 NCCC(=O)N1CCCC1 4031732 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.11 NCCC(=O)N1CCCC1 4091022 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.21 CCCNCC1CCCO1 4000752 [0,0,0,1,0,0|2,0,1]=4 7 B10R1.21 CNCCCC1CCCO1 4018237 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.21 NCCCCC1CCCO1 4018236 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.21 NCCCCC1CCCO1 4090493 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.85 CCNC1CCCCCC1 4024901 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.138 CCOC(=O)\C=C\C1CC1 4069949 [0,0,0,1,0,0|0,0,2]=3 12 B10R1.197 CCC1CCNC(=O)CC1 4042732 [0,0,0,1,0,0|1,0,0]=2 13 B7R0.3 CCC(=O)NCCN 4110359 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.3 CNC(=O)CCCN 4030090 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.3 CNCCC(=O)NC 4030744 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.7 CCNC(=O)CCCl 4027744 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.7 CCOC(=O)CCO 4040900 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.4 CC(=O)NCCCO 4032317 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCCC(=N)N 4012907 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.4 CCCCCC(=N)N 4088605 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 CCCOCC(=O)O 4020861 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.4 CCCSCC(=O)O 4028731 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.4 CCSCCC(=O)O 4028457 [2,0,0,0,0,0|1,0,0]=3 24 B11R0.5 CCCCC(N)CC(=O)OCC 4012460 [0,2,0,0,0,0|0,0,0]=2 25 B11R0.5 CCCCC(N)CC(=O)OCC 4090433 [0,2,0,0,0,0|0,0,0]=2 26 B11R0.1 CCOC(=O)CC(N)CC(C)C 4012459 [0,2,0,0,0,0|0,0,0]=2 27 B11R0.165 CC(C)(C)OC(=O)NCCCN 4036694 [0,2,0,0,0,0|2,0,0]=4 28 B9R1.2 CCN1CCNC(=O)C1 4044495 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.15 CCN1CCCNC1=O 4040526 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.15 CCN1CCNCC1=O 4011544 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.33 NCCN1CCOC1=O 4012055 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.48 CC1CCCCC(=O)N1 4085312 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.49 CC1CCNC(=O)CC1 4041565 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.89 CCC1CCCNCC1 4042576 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.11 CCC(=O)C1CCCC1 4026118 [1,0,0,1,0,0|0,0,0]=2 38 B9R1.11 CNC(=O)C1CCNC1 4108211 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.11 NCC(=O)N1CCCC1 4019877 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.11 NNC(=O)C1CCCC1 3014983 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.132 CN1C(=O)CCC1CI 4110721 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.132 CN1C(=O)CCC1CN 4110762 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.16 CCCC(=O)C1CCNCC1 4026121 [0,1,0,1,0,0|1,0,0]=3 46 B11R1.16 CCOC(=O)C1=CCCOC1 4062622 [0,1,0,1,0,0|0,0,2]=4 47 B11R1.24 NCCCN1CCNC(=O)C1 4029866 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.30 O=C(CCCl)NC1CCCC1 5347863 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.289 CCOC(=O)\C=C\C1CCC1 4069188 [0,1,0,1,0,0|0,0,1]=3 50 B11R1.187 CCN1CC(CNC)CC1=O 4002899 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.90 O=C(O)CCC1CCOC1=O 4034163 [0,1,0,1,0,0|1,0,1]=4 52 B11R1.17 CCCCN1CCNCC1=O 4011547 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.819 CCOC(=O)C1(N)CCCC1 4043341 [0,1,0,1,0,0|0,0,0]=2 54 B11R2.1 O=C1OCC2CNCCN12 4042553 [0,0,0,2,0,0|2,0,0]=4