0 B8R0.16 CCN(CC)CC(=O)O 4010142 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.16 COC(CC(=O)O)OC 4049868 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.2 CCC(C)CC(=N)N 4012909 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 CCC(C)CC(=N)N 4088237 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 CCC(C)CC(C)=O 4031282 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.2 CCN(C)CC(=O)O 4026801 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 CCN(C)CC(C)=O 4028374 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 CCN(C)CC(C)=O 4088950 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 CNC(C)CC(=O)O 4035495 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CNC(C)CC(C)C 4027376 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CNC(C)CC(C)C 4089905 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CNC(C)CC(N)=O 4043924 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.41 CCC(CC)C(N)C(=O)O 4040457 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.13 O=C(O)CC1CCCN1 4004817 [0,0,0,1,0,0|3,0,0]=4 14 B7R0.15 CCC(NC)C(N)=O 4029111 [0,0,0,0,1,0|3,0,0]=4 15 B7R0.15 CCC(OC)C(=O)O 4020880 [0,0,0,0,1,0|2,0,0]=3 16 B6R0.1 CNCC(C)OC 4031677 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.1 COC(C)CCN 4043534 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.2 CC(C)CC(=N)N 4012906 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.4 CNCCC(=O)O 4036102 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CNCCC(N)=O 4029061 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 COCCC(C)=O 4022132 [2,0,0,0,0,0|0,0,0]=2 22 B6R0.9 CCC(CC)NC 4027066 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.9 CCC(CC)NC 4090629 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.9 CCC(CN)OC 4031411 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.5 CC(=O)CN(C)CCO 4028287 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.5 COCC(=O)CC(C)=O 4036230 [1,1,0,0,0,0|0,0,2]=4 27 B8R0.19 CCC(C)NC(=O)CCl 4028165 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [1,1,0,0,0,0|2,0,0]=4 32 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.34 O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.42 CC(=O)CC1(C)CC1 4002837 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.2 CCC1CNCCO1 4018983 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.2 COC1CCCNC1 4002969 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.2 COC1CCCNC1 4087774 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.2 COC1CCCNC1 4088818 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.8 CNCC1CCCO1 4018249 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.7 CC(=O)C1CCCC1 4031395 [0,0,0,1,1,0|2,0,0]=4 41 B8R1.7 CC(=O)C1CCCO1 4075977 [0,0,0,1,1,0|1,0,0]=3 42 B10R1.66 O=C(O)CCC1CCCO1 4027244 [0,0,0,1,0,1|2,0,0]=4 43 B10R1.18 O=C(O)CC1CCCOC1 4004917 [0,1,0,1,0,0|2,0,0]=4 44 B10R1.18 O=C(O)CC1CNCCO1 4029903 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.113 CC(C)C1CC(=O)CCO1 4052864 [0,1,0,1,0,0|1,0,0]=3 46 B6R0.3 CNC(C)C(N)=O 4031071 [1,0,0,0,1,0|2,0,0]=4 47 B6R0.3 COC(C)C(=O)O 4020866 [1,0,0,0,1,0|1,0,0]=3 48 B6R0.3 CSC(C)C(=O)O 4034068 [1,0,0,0,1,0|1,1,0]=4