0 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,0,0,0|1,0,0]=2 1 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,1,0,0,0,0|1,0,0]=2 2 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BB_SC-05461 [0,1,0,0,0,0|1,0,0]=2 3 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [0,0,1,0,0,0|2,0,1]=4 4 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [0,0,1,0,0,0|1,0,1]=3 5 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [0,0,1,0,0,0|1,0,0]=2 6 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [0,0,1,0,0,0|2,0,0]=3 7 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [0,0,1,0,0,0|2,0,0]=3 8 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [0,0,1,0,0,0|1,0,2]=4 10 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [0,0,1,0,0,0|0,0,0]=1 11 B10R1.17 NCCNC1=NC=CC=N1 BB_SC-07304 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.17 NCCNC1=NC=CC=N1 BB_SC-10972 [0,0,1,0,0,0|3,0,0]=4 13 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [0,0,1,0,0,0|1,0,0]=2 14 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [0,0,1,0,0,0|1,0,0]=2 15 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [0,0,1,0,0,0|1,0,2]=4 16 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [0,0,1,0,0,0|2,0,0]=3 17 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [0,0,1,0,0,0|1,0,2]=4 19 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [0,0,1,0,0,0|1,0,1]=3 21 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [0,0,1,0,0,0|1,0,1]=3 22 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [0,0,1,0,0,0|2,0,1]=4 24 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [1,0,1,0,0,0|0,0,0]=2 25 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [1,0,1,0,0,0|2,0,0]=4 26 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [1,0,1,0,0,0|0,0,0]=2 27 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [1,0,1,0,0,0|0,0,0]=2 28 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [1,0,1,0,0,0|1,0,1]=4 29 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,1,0,0,0|1,0,0]=3 30 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,1,0,0,0|1,0,0]=3 31 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,1,0,0,0|1,0,0]=3 32 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,1,0,0,0|1,0,0]=3 35 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,1,0,0,0|0,0,0]=2 36 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,1,0,0,0|1,0,0]=3 37 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,1,0,0,0|1,0,0]=3 38 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BB_SC-01802 [0,1,1,0,0,0|1,0,1]=4 40 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB_SC-11368 [0,1,1,0,0,0|1,0,1]=4 41 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB_NC-01337 [0,1,1,0,0,0|1,0,0]=3 42 B11R1.23 NCC(O)C1=CC(O)=CC=C1 BB_NC-02015 [0,1,1,0,0,0|1,0,0]=3 43 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [0,1,1,0,0,0|1,0,0]=3 44 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.1 NC1=CC=C(OCCO)C=C1 BB_SC-08224 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.1 NCCOC1=CC=C(Br)C=C1 BB_SC-11794 [0,1,1,0,0,0|1,0,0]=3 47 B11R1.1 NCCOC1=CC=C(Cl)C=C1 BB_SC-11793 [0,1,1,0,0,0|1,0,0]=3 48 B11R1.17 NC1=C(OCCO)C=CC=C1 BB_SC-09062 [0,1,1,0,0,0|2,0,0]=4 49 B11R1.24 NC1=CC(OCCO)=CC=C1 BB_SC-09611 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [0,1,1,0,0,0|0,0,0]=2 53 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [0,1,1,0,0,0|0,0,0]=2 54 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [0,1,1,0,0,0|0,0,0]=2 55 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [0,1,1,0,0,0|1,0,0]=3 56 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [0,1,1,0,0,0|1,0,1]=4 57 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [0,1,1,0,0,0|1,0,0]=3 58 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,1,1,0,0,0|1,0,1]=4 59 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [0,1,1,0,0,0|0,0,0]=2 60 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,1,1,0,0,0|1,0,1]=4 61 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BB_SC-10569 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [0,1,1,0,0,0|1,0,1]=4 64 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BB_SC-07028 [0,1,1,0,0,0|2,0,0]=4 66 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 BB_SC-05462 [0,1,0,0,0,1|1,0,0]=3 67 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [0,2,0,0,0,0|1,0,0]=3 68 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 BB_SC-02410 [0,2,0,0,0,0|1,0,0]=3 69 B13R2.2988 ClC1(Cl)CC1C2=CC=C(Br)C=C2 BB_SC-05480 [0,2,0,0,0,0|1,0,0]=3 70 B13R2.3571 CC1=C(C2CC2(Cl)Cl)C=CC=C1 BB_SC-05463 [0,2,0,0,0,0|1,0,0]=3 71 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [0,0,1,1,0,0|2,0,0]=4 72 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [0,0,1,1,0,0|0,0,0]=2 73 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [0,0,1,1,0,0|1,0,1]=4 74 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [0,0,1,1,0,0|1,0,1]=4 75 B9R1.12 ClCCCN1C=CC=C1 BB_SC-10706 [0,0,1,0,1,0|2,0,0]=4 76 B9R1.12 NCCCN1C=CC=N1 BB_SC-03911 [0,0,1,0,1,0|2,0,0]=4 77 B9R1.12 NCCCN1C=CN=C1 BB_SC-11216 [0,0,1,0,1,0|2,0,0]=4