0 B12R1.2345 CCC1(C(=O)C=CNC1=O)CC MCULE-7842760182 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.2345 CCC1(C(=O)CCNC1=O)CC MCULE-4323898488 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.404 CCC1(CNCCS1=O)CC MCULE-1059087675 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.404 CCC1(CNCCS1=O)CC MCULE-9318146328 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.11471 CCC1(C(=N)NC(=N)NC1=O)CC MCULE-2001690876 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.11471 CCC1(C(=N)NC(=O)NC1=O)CC MCULE-6246825970 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.11471 CCC1(C(=N)NC(=S)NC1=O)CC MCULE-8481020350 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.11471 CCC1(C(=O)N=C(NC1=O)[O-])CC MCULE-5459943840 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.11471 CCC1(C(=O)NC(=N)NC1=O)CC MCULE-1709172161 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.11471 CCC1(C(=O)NC(=O)NC1=O)CC MCULE-2107172999 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.11471 CCC1(C(=O)NC(=S)NC1=O)CC MCULE-4001144475 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.11471 CCC1(C(=O)NC(=S)NC1=S)CC MCULE-8221567061 [0,1,0,0,0,0|1,1,1]=4 12 B11R0.157 CCC(CC)C(=O)NCCCCl MCULE-5409443811 [0,0,1,0,0,0|1,0,1]=3 13 B11R0.252 CCOC(=O)C(C#N)(CC)CC MCULE-8331818209 [0,0,1,0,0,0|2,0,1]=4 14 B11R0.252 CCOC(=O)C(CC)(CC)CN MCULE-5951054900 [0,0,1,0,0,0|2,0,1]=4 15 B11R0.252 CCOC(=O)C(CC)(CC)CO MCULE-5240394892 [0,0,1,0,0,0|1,0,2]=4 16 B11R0.252 CCOC(=O)C(CC)(CC)NC MCULE-1469092658 [0,0,1,0,0,0|3,0,0]=4 17 B11R0.266 CCC(CC)(C(=O)OC)N(C)C MCULE-6034898543 [0,0,1,0,0,0|3,0,0]=4 18 B10R0.21 C#CCNC(=O)C(CC)CC MCULE-7540795592 [1,0,1,0,0,0|0,0,2]=4 19 B10R0.21 CCCCC(=O)C(CC)CC MCULE-5683152673 [1,0,1,0,0,0|1,0,1]=4 20 B10R0.130 CCOC(=O)C(Br)(CC)CC MCULE-3786588041 [1,0,1,0,0,0|2,0,0]=4 21 B10R0.130 CCOC(=O)C(C)(CC)CC MCULE-7144549692 [1,0,1,0,0,0|1,0,1]=4 22 B10R0.130 CCOC(=O)C(N)(CC)CC MCULE-3919107693 [1,0,1,0,0,0|2,0,0]=4 23 B10R0.130 CCOC(=O)C(N)(CC)CC MCULE-6541016156 [1,0,1,0,0,0|2,0,0]=4 24 B10R0.136 CCC(CC)(NC)C(=O)OC MCULE-4335583670 [1,0,1,0,0,0|2,0,0]=4 25 B10R0.159 CCC(CC)(C(=O)N)N(C)C MCULE-4703951151 [1,0,1,0,0,0|2,0,0]=4 26 B10R0.159 CCC(CC)(C(=O)O)C(=O)O MCULE-5203614790 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.230 CCC1(NCCNC1=O)C MCULE-4962115248 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.487 CCC1(CCCNC1)CC MCULE-7681480663 [2,0,0,0,0,0|0,0,2]=4 29 B10R1.487 CCC1(CCCNC1)CC MCULE-7718873713 [2,0,0,0,0,0|0,0,2]=4 30 B10R1.487 CCC1(CNCCO1)CC MCULE-2016762512 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.487 CCC1(CNCCS1)CC MCULE-4624029055 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.114 CC1(C(=O)CCCC1=O)C MCULE-4343136214 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.114 CN1CCNC(=O)C1(C)C MCULE-2751590867 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.245 CCC1C(=O)CCCC1=O MCULE-2763743652 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.245 N#CC1C(=O)CCNC1=O MCULE-5177321264 [2,0,0,0,0,0|1,0,1]=4 36 B12R0.677 CCN(CC)C(=O)CCCC(=O)O MCULE-9920931126 [0,1,1,0,0,0|2,0,0]=4 37 B12R0.365 CCOC(=O)C(CC)(CC)C(=O)C MCULE-3869719997 [0,1,1,0,0,0|1,0,0]=3 38 B12R0.490 CCC(CC)(C(=O)CBr)C(=O)OC MCULE-8211078698 [0,1,1,0,0,0|1,0,0]=3 39 B12R0.490 CCC(CC)(C(=O)OC)C(=O)OC MCULE-9754098495 [0,1,1,0,0,0|1,0,0]=3 40 B12R0.1035 CCN(CC)C(CC)(CC)C(=O)N MCULE-8781333789 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.2410 CCC1(CNCCS1(=O)=O)CC MCULE-5585658147 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.2410 CCC1(CNCCS1(=O)=O)CC MCULE-6897202692 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.7042 CCC1(C(=O)N=C(NC1=O)NN)CC MCULE-9738915300 [0,2,0,0,0,0|1,0,1]=4 44 B14R1.25886 CCC1(C(=O)NC(=O)N(C1=O)C)CC MCULE-9702939099 [0,2,0,0,0,0|1,0,1]=4 45 B14R1.25886 CCC1(C(=O)NC(=S)N(C1=O)C)CC MCULE-8230790382 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.35 O=C(NCCCCl)C1CCCC1 MCULE-2760781843 [0,0,1,1,0,0|1,0,1]=4 47 B12R2.7 O=C1CCCCC12CCCC2 MCULE-2674738319 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.7 O=C1CCNCC12CCCC2 MCULE-7001240727 [1,0,0,1,0,0|0,0,1]=3 49 B12R2.7 O=C1NCCCC12CCCC2 MCULE-4003925548 [1,0,0,1,0,0|0,0,1]=3 50 B12R2.7 O=C1NCCCC12CCCN2 MCULE-3628239818 [1,0,0,1,0,0|1,0,1]=4 51 B12R2.7 O=C1NCCCC12CCCN2 MCULE-6136711115 [1,0,0,1,0,0|1,0,1]=4 52 B12R2.7 O=C1NCCCC12CCNC2 MCULE-7835953096 [1,0,0,1,0,0|1,0,1]=4 53 B12R2.7 O=C1NCCCC12CCNC2 MCULE-9705262931 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.7 O=C1NCCNC12CCCC2 MCULE-3068523257 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.7 O=C1NCCNC12CCCC2 MCULE-8516961031 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.7 O=C1NCCNC12CCOC2 MCULE-8409606227 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.2034 CN1CCC(=O)C12CCCC2 MCULE-3325932871 [0,0,0,1,1,0|2,0,0]=4 58 B14R2.51 CN1CCNC(=O)C12CCNCC2 MCULE-4279936215 [0,1,0,1,0,0|2,0,0]=4 59 B14R2.51 CN1CCNC(=O)C12CCNCC2 MCULE-8643790774 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.478 CCC1(CCCC1=O)CC MCULE-4610912048 [1,0,0,0,1,0|0,0,1]=3 61 B10R1.478 CCC1(CCNC1=O)CC MCULE-8163445045 [1,0,0,0,1,0|0,0,0]=2 62 B12R0.144 C#CCCNC(=O)NC(CC)CC MCULE-6152848918 [0,0,1,0,0,1|1,0,1]=4 63 B12R0.848 CCC(CC)(CC(=O)OC)C(=O)O MCULE-1092433689 [0,0,1,0,0,1|2,0,0]=4