0 B9R1.12 CCNCC1=CC=CO1 BBL013868 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.12 ClCCCN1C=CC=C1 BBL033037 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 NCCCC1=CC=CO1 BBL030544 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.12 NCCCN1C=CC=N1 BBL016018 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 OCCCN1C=CC=N1 BBL001816 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 S=C=NCC1=CC=CO1 BBL009998 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.8 CNCC1=CC=NN1 BBL040747 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 CNCC1=CN=CN1 BBL036733 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 ClCCN1C=CC=N1 BBL028326 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,0,0|1,1,0]=3 10 B8R1.8 NCCC1=CNC=N1 BBL004932 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.11 CCCC(=O)C1=CC=CS1 BBL037633 [0,1,0,0,0,0|1,1,1]=4 12 B10R1.11 CCOC(=O)C1=CC=CO1 BBL001830 [0,1,0,0,0,0|0,0,1]=2 13 B10R1.11 CCOC(=O)C1=NNC=C1 BBL005520 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.16 CCCCN1C=CC(N)=N1 BBL040933 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.16 CCNCC1=CC=C(C)O1 BBL000395 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.16 CCOCC1=NN=C(N)S1 BBL002957 [0,1,0,0,0,0|2,1,0]=4 17 B10R1.16 CCOCN1C=C(N)C=N1 BBL038452 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.16 CCOCN1C=NC(Cl)=N1 BBL036477 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.21 CNCCCC1=CC=CO1 BBL030347 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.21 OCCNCC1=CC=CO1 BBL000057 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.27 CCC(=O)CC1=CC=CO1 BBL029638 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.29 CCOCN1N=CN=C1Cl BBL036487 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.66 CC(=O)CCC1=CC=CO1 BBL028608 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.66 CC(C)NCC1=CC=CO1 BBL030424 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.66 CC(N)CCC1=CC=CO1 BBL028734 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 BBL030613 [0,1,0,0,0,0|3,0,0]=4 28 B10R2.7 C1=C2CCCCC2=NN1 BBL034765 [0,0,0,1,0,0|3,0,0]=4 29 B10R2.7 C1=NC2=C(CCNC2)N1 BBL010223 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [0,0,0,0,0,1|3,0,0]=4 33 B7R0.7 C\C=C\C(=O)OCC BBL027753 [1,0,1,0,0,0|0,0,2]=4 34 B7R1.1 CCC1=NC=CN1 BBL027503 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.1 CCN1C=CC=N1 BBL038143 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.1 COC1=NC=CS1 BBL037422 [2,0,0,0,0,0|1,1,0]=4 37 B7R1.1 NCC1=CC=CO1 BBL011620 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.7 CCCN1C=CC(C)=N1 BBL028808 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.7 CCCN1C=CC(N)=N1 BBL010137 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.7 COCN1C=C(N)C=N1 BBL039358 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.11 CCC(=O)C1=CC=CS1 BBL037420 [1,1,0,0,0,0|0,1,1]=4 42 B9R1.13 CC(N)CC1=CC=CO1 BBL030348 [1,1,0,0,0,0|0,0,0]=2 43 B9R1.13 CC(N)CN1C=CC=N1 BBL040014 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.33 CCCN1N=CC=C1C BBL040893 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.1 CCCCC1=CC=C(N)C=C1 BBL012657 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,1,0,0,0,1|1,0,1]=4 47 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [0,1,0,0,0,1|1,0,1]=4 48 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [0,1,0,0,0,1|1,0,1]=4 49 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.28 N(CCC)CC1=CC=CN=C1 BBL000125 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.28 N(CCC)CC1=CC=NC=C1 BBL000137 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.28 NCCNCC1=CC=CC=C1 BBL027980 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [0,1,0,0,0,1|1,0,0]=3 54 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 BBL015661 [0,2,0,0,0,0|1,0,1]=4 56 B11R1.15 CCOC(=O)C1=CC(C)=NO1 BBL004014 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.29 NCCNC(=O)C1=CC=CO1 BBL018500 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.4 CCCCNCC1=CC=CO1 BBL000280 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.4 CCCCNCC1=CC=CS1 BBL011968 [0,2,0,0,0,0|1,1,0]=4 60 B11R1.25 CNC(C)CCC1=CC=CO1 BBL028733 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.25 NCC(=O)NCC1=CC=CO1 BBL011189 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.25 O=C(CCl)NCC1=CC=CO1 BBL008375 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.172 CC(C)CNCC1=CC=CO1 BBL000058 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.172 CC(O)CNCC1=CC=CO1 BBL000089 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.172 O=C(O)CNCC1=CC=CO1 BBL011870 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.90 CC(C)NCC1=CC=CN1C BBL032463 [0,2,0,0,0,0|2,0,0]=4 67 B9R2.3 C1=NC2=C(CCC2)N1 BBL035011 [1,0,0,1,0,0|2,0,0]=4 68 B9R2.3 C1=NNC2=C1CCC2 BBL011883 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.10 NC1=NC2=C(COCC2)S1 BBL034972 [0,1,0,1,0,0|1,1,0]=4 70 B11R2.385 C1=COC(CNC2CC2)=C1 BBL030806 [0,1,0,1,0,0|1,0,0]=3