0 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 BBL035649 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 BBL029662 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 BBL031825 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 BBL031632 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.42 C\C(=C/C#N)CCC1=CC=CC=C1 BBL011672 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BBL011279 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.8 CCCCNCC1=CC=CC=C1 BBL010686 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [1,0,0,0,0,0|2,0,0]=3 12 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 BBL022650 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 BBL027743 [0,1,0,0,0,0|0,0,1]=2 14 B14R1.32 CCOC(=O)COC1=CC=CC(Br)=C1 BBL025626 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.32 O=C(CCCl)NCC1=CC=CC(Cl)=C1 BBL017762 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.60 CCOC(=O)C(=O)NC1=NC=CC=C1 BBL034202 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.598 CNCC(=O)NCC1=C(Cl)C=CC=C1 BBL011283 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.598 O=C(CCCl)NCC1=C(F)C=CC=C1 BBL017771 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 BBL027729 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BBL029584 [0,0,0,0,1,0|3,0,0]=4 21 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 BBL011307 [0,0,0,0,0,1|2,0,0]=3 22 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 BBL016277 [0,0,0,0,0,1|2,0,1]=4 23 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BBL011171 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [2,0,0,0,0,0|0,0,0]=2 26 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [2,0,0,0,0,0|0,0,0]=2 29 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.91 O=C(O)CSC1=CC=NC=C1 BBL001462 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.91 O=C(O)CSC1=NC=CC=C1 BBL041076 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [2,0,0,0,0,0|0,0,2]=4 36 B13R1.9 CCOCCOC1=CC=C(N)C=C1 BBL023586 [1,1,0,0,0,0|1,0,1]=4 37 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BBL023617 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BBL028749 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BBL009680 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BBL031851 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BBL022932 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BBL011269 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BBL009783 [1,1,0,0,0,0|0,0,0]=2 44 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 BBL022931 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 BBL017817 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.528 NNC(=O)CCC1=CC=CC=C1O BBL009239 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.528 O=C(CCl)NCC1=CC=CC=C1F BBL017813 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.19 CCCC(=O)NC1=CC=C(N)C=C1 BBL000076 [0,1,0,0,1,0|2,0,0]=4 49 B13R1.20 CCCC(=O)NC1=CC(N)=CC=C1 BBL000222 [0,1,0,0,1,0|2,0,0]=4 50 B13R1.20 CCOC(=O)NC1=CC=CC(N)=C1 BBL002168 [0,1,0,0,1,0|1,0,0]=3 51 B15R1.89 CCOC(=O)NCC(=O)C1=CC=CC=C1 BBL001977 [0,1,0,0,0,1|0,0,1]=3 52 B15R1.826 CCOC(=O)C(=O)NCC1=CC=NC=C1 BBL034203 [0,1,0,0,0,1|1,0,1]=4 53 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C)C=C1 BBL020432 [0,2,0,0,0,0|0,0,0]=2 54 B15R1.23 CCOC(=O)CC(N)C1=CC=C(Cl)C=C1 BBL020392 [0,2,0,0,0,0|0,0,0]=2 55 B15R1.23 CCOC(=O)CC(N)C1=CC=C(F)C=C1 BBL022322 [0,2,0,0,0,0|0,0,0]=2 56 B15R1.24 CCOC(=O)CC(N)C1=CC(O)=CC=C1 BBL020423 [0,2,0,0,0,0|0,0,0]=2 57 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C)C=C1 BBL003956 [0,2,0,0,0,0|1,0,1]=4 58 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(O)C=C1 BBL009720 [0,2,0,0,0,0|0,0,0]=2 59 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CC=CC=C1 BBL002782 [0,2,0,0,0,0|0,0,2]=4 60 B15R1.3960 CCOC(=O)C(C)OC1=CC=CC=C1Br BBL038595 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.3960 CCOC(=O)C(C)OC1=CC=CC=C1Cl BBL039606 [0,2,0,0,0,0|1,0,0]=3 62 B15R1.3960 CCOC(=O)C(N)CC1=CC=CC=C1F BBL020647 [0,2,0,0,0,0|0,0,0]=2 63 B15R1.793 CCOC(=O)COC1=CC=C(C=O)C=C1 BBL023445 [0,2,0,0,0,0|1,0,0]=3 64 B15R1.793 CCOC(=O)NCC1=CC=C(OC)C=C1 BBL017101 [0,2,0,0,0,0|1,0,0]=3 65 B15R1.768 CCOC(=O)COC1=CC=CC=C1C=O BBL038120 [0,2,0,0,0,0|1,0,0]=3 66 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 BBL034643 [1,0,0,1,0,0|1,0,1]=4 67 B15R2.73 NCCC(=O)N1CCC2=CC=CC=C21 BBL011226 [0,0,0,1,0,1|2,0,0]=4 68 B15R2.325 O=C1CC(CC2=CC=CC=C2)C(=O)O1 BBL000780 [0,0,0,1,0,1|1,0,1]=4 69 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 BBL028661 [0,0,0,1,0,1|0,0,0]=2 70 B15R2.27 NC1=CC(=O)CC(C2=CC=CC=C2)C1 BBL011882 [0,1,0,1,0,0|1,0,1]=4 71 B15R2.27 O=C1C=C(Cl)CC(C2=CC=CC=C2)C1 BBL036946 [0,1,0,1,0,0|1,0,1]=4 72 B15R2.359 O=C1OCC\C1=C/C2=C(O)C=CC=C2 BBL028297 [0,1,0,1,0,0|0,0,2]=4 73 B11R1.25 COC(=O)CCN1C=CC=N1 BBL013597 [1,0,0,0,1,0|2,0,0]=4 74 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [1,0,0,0,1,0|0,0,0]=2 75 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [1,0,0,0,1,0|2,0,0]=4 76 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [0,0,0,0,2,0|1,0,0]=3 77 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,0,0,0,2,0|0,0,0]=2 78 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [0,0,0,0,2,0|1,0,0]=3 79 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [0,0,0,0,2,0|1,0,0]=3 80 B11R1.30 CCOC(=O)CN1C=CN=C1 BBL015968 [0,0,0,0,2,0|2,0,0]=4