0 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 CBR02460 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.5252 CN1CCCCC2=CC=CC=C12 T167851 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.5252 OC1CCCSC2=C1C=CC=C2 S759236 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [0,0,1,0,0,0|2,0,0]=3 4 B13R1.9 CCCCCOC1=CC=C(C=C1)O PH011487 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.9 CCNCCOC1=CC=C(C=C1)Cl PH012070 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.9 CNCCCOC1=CC=C(C=C1)Cl CBR00262 [0,0,1,0,0,0|3,0,0]=4 7 B13R1.9 ClCCCCSC1=CC=C(C=C1)Cl PH010751 [0,0,1,0,0,0|3,0,0]=4 8 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O S489034 [0,0,0,0,1,0|2,0,1]=4 9 B13R2.162 CC1=CC=C2OCCC(C2=C1)O PH017425 [0,0,0,0,1,0|3,0,0]=4 10 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O CDS024424 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.162 NC1=CC=C2CCCC(=O)C2=C1 CDS006837 [0,0,0,0,1,0|2,0,1]=4 12 B13R2.162 NC1CCCC2=CC=C(C=C12)O PH019049 [0,0,0,0,1,0|2,0,0]=3 13 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O PH010225 [0,0,0,0,1,0|2,0,1]=4 14 B13R2.162 O=C1CCCC2=CC=C(C=C12)Cl JRD0695 [0,0,0,0,1,0|1,0,1]=3 15 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [1,0,1,0,0,0|0,0,2]=4 17 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,0,1,0,0,0|1,1,0]=4 18 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,0,1,0,0,0|0,0,0]=2 20 B12R1.1 ClCCCSC1=CC=C(C=C1)Cl S803723 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [1,0,1,0,0,0|1,0,0]=3 22 B12R1.1 ClCCSCC1=CC=C(C=C1)Cl S637939 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [1,0,1,0,0,0|1,1,0]=4 25 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [1,0,1,0,0,0|1,1,0]=4 27 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.1 OCCSCC1=CC=C(C=C1)Cl S614092 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,0,1,0,0,0|0,0,0]=2 32 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.374 CC1=CC=C(C(=C1)CCNN)C PH019452 [1,0,1,0,0,0|2,0,0]=4 39 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,1,1,0,0,0|0,1,1]=4 40 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl TMT00614 [0,1,1,0,0,0|1,0,1]=4 41 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CDS000684 [0,1,1,0,0,0|2,0,0]=4 42 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [0,1,1,0,0,0|1,0,1]=4 43 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S279854 [0,1,1,0,0,0|1,0,1]=4 44 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S591343 [0,1,1,0,0,0|1,0,1]=4 45 B14R1.33 CCCNC(=O)SC1=CC=C(C=C1)Cl S844063 [0,1,1,0,0,0|1,0,1]=4 46 B14R1.774 CCCCCCC1=CC=C(C=C1C)O PH007150 [0,1,1,0,0,0|2,0,0]=4 47 B14R1.776 C#CC1=CC=C(C=C1)CCCCCC CDS000275 [0,1,1,0,0,0|2,0,0]=4 48 B14R1.149 CC(C)NCC(O)C1=CC=CC(=C1)Cl CDS001369 [0,1,1,0,0,0|1,0,0]=3 49 B14R2.287 CC1CNC(=S)NC2=CC=CC=C12 PH007501 [1,1,0,0,0,0|1,0,1]=4 50 B14R2.8045 CC1=CC2=C(CCCC2N)C(=C1)C PH019144 [0,1,0,0,1,0|2,0,0]=4 51 B14R2.68 BrC1=CC=C(C=C1)C2CCCCC2 S288748 [0,0,1,1,0,0|1,1,0]=4 52 B14R2.68 ClC1=CC=C(C=C1)C2CCCNC2 CBR00403 [0,0,1,1,0,0|0,0,0]=2 53 B14R2.68 ClC1=CC=C(C=C1)C2CCNCC2 CDS015248 [0,0,1,1,0,0|2,0,0]=4 54 B14R2.68 NC1=CC=C(C=C1)C2CCCCC2 PH000034 [0,0,1,1,0,0|2,0,0]=4 55 B14R2.72 ClC1=CC=C(C=C1)CN2CCCC2 PH012276 [0,0,1,1,0,0|2,0,0]=4 56 B14R2.21 CC1=CC=CC(=C1)C2CCCNC2 CBR01260 [0,0,1,1,0,0|1,0,0]=3 57 B14R2.4471 NC1(CCCC1)C2=CC(=CC=C2)Cl OTV000621 [0,0,1,1,0,0|2,0,0]=4 58 B14R3.2531 C1=CC=C2C(=C1)C3CSCC2C3 T197777 [1,0,0,1,0,0|1,0,0]=3 59 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [1,0,0,0,1,0|0,1,0]=3 60 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [1,0,0,0,1,0|0,1,0]=3 61 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [1,0,0,0,1,0|0,1,0]=3 62 B12R2.24 BrC1=CN=C2CCNCC2=C1 PHB00087 [1,0,0,0,1,0|1,1,0]=4 63 B12R2.24 CC1=CC2=C(CCCC2)N=C1 R279013 [1,0,0,0,1,0|2,0,0]=4 64 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [1,0,0,0,1,0|1,0,0]=3 65 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [1,0,0,0,1,0|0,0,0]=2 66 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [1,0,0,0,1,0|2,0,0]=4 67 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [1,0,0,0,1,0|2,0,0]=4 68 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [1,0,0,0,1,0|2,0,0]=4 69 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,0,1,0|0,0,2]=4 70 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [1,0,0,0,1,0|2,0,0]=4 71 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,0,0,0,2,0|0,0,2]=4 72 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [0,0,0,0,2,0|1,0,0]=3