0 B14R2.19 NC1=NN(C=C1)CC2=CC=CC=C2 CBR00217 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 O=C1CN(CN1)CC2=CC=CC=C2 PH015293 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.64 C1=CC=C(C=C1)CN2C=CC=N2 R432377 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.15 ClCC1=NC(=NO1)CC2=CC=CC=C2 BOG00200 [0,1,0,0,0,0|2,0,1]=4 8 B15R2.15 NCC1=NOC(=N1)CC2=CC=CC=C2 CDS023137 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.98 NC1=NN(C=C1)CC2=CC=C(C=C2)Cl R432881 [0,1,0,0,0,0|2,0,1]=4 10 B15R2.325 CC1=C(N=C(N1)N)CC2=CC=CC=C2 PH015901 [0,1,0,0,0,0|1,0,2]=4 11 B15R2.325 CC1=C(N=C(S1)N)CC2=CC=CC=C2 PH013776 [0,1,0,0,0,0|0,1,2]=4 12 B15R2.325 O=C1OC(=CC1CC2=CC=CC=C2)O CDS019491 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.337 N=C(N)NCCOC1=CC=CC=C1 PH012552 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,0,1,0,0,0|1,0,0]=2 17 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,0,1,0,0,0|0,1,1]=3 18 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,0,1,0,0,0|0,0,2]=3 19 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,0,1,0,0,0|2,0,0]=3 20 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,0,1,0,0,0|2,0,1]=4 24 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.10 ClC1=NC(=NO1)C2=CC=CC=C2 CBR01758 [0,0,0,0,1,0|2,0,1]=4 26 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [0,0,0,0,1,0|0,1,2]=4 27 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [0,0,0,0,1,0|0,1,2]=4 28 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 CDS015096 [0,0,0,0,1,0|2,0,1]=4 29 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,0,1,0|3,0,0]=4 30 B15R2.29 O=C1C=CC(CC1)CC2=CC=CC=C2 T220418 [0,0,0,0,0,1|3,0,0]=4 31 B15R2.283 NC1=NC(=CS1)COC2=CC=CC=C2 CBR00519 [0,0,0,0,0,1|0,1,2]=4 32 B15R2.283 NC1=NC(=NN1)CCC2=CC=CC=C2 CBR01955 [0,0,0,0,0,1|2,0,1]=4 33 B15R2.283 O=C1NCC(O1)COC2=CC=CC=C2 PH008101 [0,0,0,0,0,1|3,0,0]=4 34 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [1,0,1,0,0,0|0,0,2]=4 37 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,1,0,0,0|1,0,1]=4 38 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,1,0,0,0|1,0,1]=4 40 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,1,0,0,0|0,0,2]=4 41 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,1,0,0,0|0,1,1]=4 42 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,1,1,0,0,0|2,0,0]=4 43 B14R1.420 CC(CCSC(=N)N)C1=CC=CC=C1 R427810 [0,1,1,0,0,0|0,1,0]=3 44 B14R1.677 N=C(N)NCCOC1=CC=C(C=C1)Cl PH012592 [0,1,1,0,0,0|2,0,0]=4 45 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,1,1,0,0,0|2,0,0]=4 46 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,1,1,0,0,0|2,0,0]=4 47 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [0,1,1,0,0,0|2,0,0]=4 48 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [0,1,1,0,0,0|1,0,1]=4 49 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,1,1,0,0,0|2,0,0]=4 50 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [0,1,1,0,0,0|2,0,0]=4 51 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,1,1,0,0,0|2,0,0]=4 52 B14R2.8 NCC1=NC(=NO1)C2=CC=CC=C2 CBR01044 [0,1,0,0,1,0|1,0,1]=4 53 B14R2.20 NC1=NCC(N1)C2=CC=C(C=C2)Cl PH013621 [0,1,0,0,1,0|1,0,1]=4 54 B14R2.2950 C[N+]1(CCC(=N1)N)C2=CC=CC=C2 S274771 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,1,0,0,1,0|2,0,0]=4 56 B16R2.40 COC1=CC=C(C=C1)CC2=NOC(=N2)N T309273 [0,2,0,0,0,0|1,0,1]=4 57 B16R2.40 NCC1=CC=C(C=C1)C[C@@H]2COC(=O)N2 CDS006432 [0,2,0,0,0,0|1,0,1]=4 58 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,0,1,1,0,0|2,0,0]=4 59 B14R2.31359 NC(=O)N1CCCC2=C1C=CC=C2 S682365 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 PH011454 [0,0,1,1,0,0|2,0,0]=4 61 B14R3.8288 O=C1CC2C1C3=C(C2)C=CC=C3 S52656 [0,0,0,1,1,0|2,0,0]=4 62 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,0,1,0,1,0|0,0,1]=3 63 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,0,1,0,1,0|0,0,1]=3 64 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,0,1,0,1,0|0,0,1]=3 65 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,0,1,0,1,0|1,1,0]=4 68 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,0,1,0,1,0|2,0,0]=4 70 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,0,1,0,1,0|2,0,0]=4 71 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,1,0,1,0|2,0,0]=4 72 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,1,0,1,0|1,0,1]=4 73 B14R1.422 CC(=O)OCCCSC1=CC=CC=C1 S866563 [0,0,1,0,0,1|2,0,0]=4 74 B14R1.422 N=C(N)NOCCOC1=CC=CC=C1 PH008972 [0,0,1,0,0,1|1,0,0]=3