0 B14R2.256 CC1=C(C=CC=C1)C2=NNC(=C2)N JRD0001 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.256 CC1=CC=CC=C1[N+]2=NOC(=O)[CH-]2 R818496 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.256 NC1=CC(=NO1)C2=CC=CC=C2Cl L482943 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.256 NC1=CC(=NO1)C2=CC=CC=C2F L482951 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.256 NC1=NC(=CS1)C2=CC=CC=C2F CDS021846 [0,0,0,0,0,0|1,1,2]=4 5 B14R2.256 NC1=NN(C=C1)C2=CC=CC=C2F PH017332 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 ClC1=NC(=NO1)C2=CC=CC=C2 CBR01758 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [1,0,0,0,0,0|0,1,2]=4 9 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [1,0,0,0,0,0|0,1,2]=4 10 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 CDS015096 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.18 CC1=CC=CC=C1C2=NCCC2 PH007172 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.18 CC1=CC=CC=C1N2C=CC=N2 JRD0058 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.18 FC1=C(C=CC=C1)C2=NOC=N2 CDS024203 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.1153 CC1=CC=C(C(=C1)C)C2=CSC(=N2)N R432687 [0,1,0,0,0,0|0,1,2]=4 16 B15R2.2189 COC1=CC=CC=C1C2=CSC(=N2)N JRD0656 [0,1,0,0,0,0|0,1,2]=4 17 B15R2.2243 CC1=CC=CC=C1C2=NOC(=N2)CN CDS022900 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.158 N=C(N)CCCC1=C(C=CC=C1)Cl PH015537 [0,0,1,0,0,0|2,0,0]=3 20 B13R1.158 N=C(N)SCCC1=CC=CC=[N+]1[O-] S292966 [0,0,1,0,0,0|2,1,0]=4 21 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,0,1,0,0,0|2,0,1]=4 23 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,0,1,0,0,0|1,0,1]=4 31 B14R1.6052 CC1=CC=C(C(=C1)C(C)CC(=O)O)C R245232 [0,1,1,0,0,0|2,0,0]=4 32 B14R2.8 NCC1=NC(=NO1)C2=CC=CC=C2 CBR01044 [1,1,0,0,0,0|1,0,1]=4 33 B14R2.20 NC1=NCC(N1)C2=CC=C(C=C2)Cl PH013621 [1,1,0,0,0,0|1,0,1]=4 34 B14R2.2950 C[N+]1(CCC(=N1)N)C2=CC=CC=C2 S274771 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [1,1,0,0,0,0|2,0,0]=4 36 B14R2.781 NC(=S)N1CCC2=C(C1)C=CC=C2 CBR01188 [0,0,1,1,0,0|2,0,0]=4 37 B14R2.2 O=C(O)CC1CCC2=CC=CC=C12 CDS007741 [0,0,1,1,0,0|2,0,0]=4 38 B14R2.93 CSC1=NCC2=CC=CC=C2CN1 PH013189 [0,0,1,1,0,0|0,1,0]=3 39 B14R3.8288 O=C1CC2C1C3=C(C2)C=CC=C3 S52656 [0,0,0,1,1,0|2,0,0]=4 40 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,0,1,0,1,0|1,0,0]=3 42 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,0,1,0,1,0|1,0,1]=4 47 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [1,0,0,0,0,1|1,0,1]=4