0 B16R3.9 C1=CC2=C(C=C1)C3=C(C=C2)N=CC=C3 S770310 [0,0,0,0,0,0|3,0,0]=3 1 B16R3.9 C1=CC2=C(C=C1)C3=C(C=NC=N3)CC2 S761079 [0,0,0,0,0,0|2,0,2]=4 2 B16R3.9 C1=CC2=C(C=C1)[N+]3=C(C=CC=C3)C=C2 S286079 [0,0,0,0,0,0|3,0,0]=3 3 B17R3.31 CC1=NC2=CC=C3C=CC=CC3=C2C=C1 PH010923 [0,1,0,0,0,0|3,0,0]=4 4 B17R3.18998 NC1=CC2=C(C=C1)C=CC3=C2C=CC=C3 S749818 [0,1,0,0,0,0|2,0,0]=3 5 B17R3.54615 C[N+]1=CC2=C(C=CC=C2)C3=C1C=CC=C3 R247324 [0,1,0,0,0,0|3,0,0]=4 6 B17R3.54615 O=C1OC2=C(C=CC=C2)C3=CC=CC=C13 PH000075 [0,1,0,0,0,0|3,0,0]=4 7 B15R2.2195 C1=CC(=CN=C1)C=CC2=CC=NC=C2 S370568 [0,0,1,0,0,0|2,0,0]=3 8 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=CC=CC=N2 S439843 [0,0,1,0,0,0|3,0,0]=4 9 B15R2.2195 C1=CC=C(C=C1)/C=C/C2=CC=NC=C2 S881546 [0,0,1,0,0,0|3,0,0]=4 10 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CN=C2 PH013570 [0,0,1,0,0,0|2,0,1]=4 11 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CN=C2 SYX00412 [0,0,1,0,0,0|2,0,1]=4 12 B15R2.2195 C1=CC=C(C=C1)OCC2=CC=CN=C2 PH007385 [0,0,1,0,0,0|2,0,1]=4 13 B15R2.2195 C1=CC=C(N=C1)/C=C/C2=CC=CN=C2 S355321 [0,0,1,0,0,0|2,0,0]=3 14 B15R2.18471 C=CCOC1=C2N=CC=CC2=CC=C1 PH008525 [0,0,1,0,0,0|1,0,1]=3 15 B15R3.1739 C1=CC2=C(C=C1)N3C=CC=C3C=N2 PH004377 [0,0,0,0,1,0|3,0,0]=4 16 B17R3.1830 C1=CC2=C(C=C1)CC3=C(C=CC=C3)C=C2 S290947 [0,0,0,0,0,1|2,0,0]=3 17 B17R3.1830 C1=CC2=C(C=C1)OC3=C(C=CC=C3)C=C2 R163171 [0,0,0,0,0,1|2,0,0]=3 18 B14R2.24 NC1=CC=CN=C1C2=CC=CC=C2 PH000426 [1,0,1,0,0,0|2,0,0]=4 19 B14R2.24 OC1=C(C=CC=C1)C2=CC=CC=N2 UPL0038 [1,0,1,0,0,0|2,0,0]=4 20 B14R2.112 C=CCC1=CN=C2C=CC=NC2=C1 ADE000866 [1,0,1,0,0,0|1,0,1]=4 21 B14R2.92 O=CC1=C(C2=NC=CC=C2C=C1)O CDS023260 [1,0,1,0,0,0|2,0,0]=4 22 B14R2.7150 C=CCC1=CC=CC2=C1C=CC=C2 S731293 [1,0,1,0,0,0|1,0,1]=4 23 B16R2.477 O=C(O)/C=C/C1=CC2=CC=CC=C2C=C1 R467383 [0,1,1,0,0,0|2,0,0]=4 24 B16R2.88 O=C(OC1=CC=CC=C1)C2=CN=CC=C2 S370355 [0,1,1,0,0,0|2,0,0]=4 25 B16R2.132 ClC1=CC=C(C=C1)/N=C/C2=CC=CN=C2 R534587 [0,1,1,0,0,0|2,0,0]=4 26 B16R2.132 NC1=CC=C(C=C1)/C=C/C2=CC=CC=C2 CDS000140 [0,1,1,0,0,0|2,0,0]=4 27 B16R2.252 C[N+]1=CC=CC(=C1)/C=C/C2=CC=CC=C2 S580767 [0,1,1,0,0,0|1,0,1]=4 28 B16R2.179941 O=C(O)/C=C/C1=CC=CC2=CC=CN=C12 CDS022228 [0,1,1,0,0,0|2,0,0]=4 29 B16R3.20606 O=C1C2=C(C=CC=C2)C3=C1C=CC=N3 S543764 [0,1,0,0,1,0|1,0,0]=3 30 B16R3.335 CC1=NC2=C([Se]1)C=CC3=C2C=CC=C3 L203513 [0,1,0,0,1,0|2,0,0]=4 31 B16R3.11020 BrC1=CC2=C(C=C1)C=CC3=C2C=CC3 T303372 [0,1,0,0,1,0|1,0,1]=4 32 B16R3.11020 CC1=CC2=C(C=C1)C=CC3=C2CC=C3 T305189 [0,1,0,0,1,0|1,0,1]=4 33 B18R3.28 CCC1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2 S301051 [0,2,0,0,0,0|2,0,0]=4 34 B18R3.28 N#CC1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2 T153826 [0,2,0,0,0,0|2,0,0]=4 35 B18R3.4232 NC1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2Br S640158 [0,2,0,0,0,0|2,0,0]=4 36 B18R3.4232 NC1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2Cl S640026 [0,2,0,0,0,0|2,0,0]=4 37 B18R3.89731 OC1=CC=CC2=C1C=C(C3=C2C=CC=C3)O S973122 [0,2,0,0,0,0|2,0,0]=4 38 B18R3.98509 O=C1C=CC(=O)C2=C1C=CC3=C2C=CC=C3 T305367 [0,2,0,0,0,0|2,0,0]=4 39 B18R3.108725 CC1=CC(=NC2=C1C=CC3=CC=CC=C23)C R397881 [0,2,0,0,0,0|1,0,0]=3 40 B18R3.108725 CC1=NC2=C(C=CC3=C2C=CC=C3)C(=C1)Cl OTV000986 [0,2,0,0,0,0|1,0,0]=3 41 B18R3.108725 N1C(=O)C=C(C2=C1C3=C(C=CC=C3)C=C2)C S515280 [0,2,0,0,0,0|1,0,1]=4 42 B18R3.415488 CC1=CC2=C(C=C1)C=CC3=C2C=CC=C3Br T240567 [0,2,0,0,0,0|2,0,0]=4 43 B18R3.17013 BrCC1=CC2=C(C=C1)C=CC3=C2C=CC=C3 T153893 [0,2,0,0,0,0|2,0,0]=4 44 B18R3.17013 C(=O)C1=CC2=C(C=C1)C=CC3=C2C=CC=C3 T153842 [0,2,0,0,0,0|2,0,0]=4 45 B18R3.17013 N#CC1=NC2=C3N=CC=CC3=CC=C2C=C1 PH008552 [0,2,0,0,0,0|0,0,0]=2 46 B18R3.17013 OCC1=CC2=C(C=C1)C=CC3=C2C=CC=C3 T153850 [0,2,0,0,0,0|2,0,0]=4 47 B18R3.32867 CC1=C(C2=C(C=C1)C=CC3=C2C=CC=C3)O PH009422 [0,2,0,0,0,0|2,0,0]=4 48 B18R3.32867 CN1C(=O)C=CC2=C1C3=C(C=CC=N3)C=C2 S101117 [0,2,0,0,0,0|0,0,1]=3 49 B18R3.151612 OCC1=CC=CC2=C1C3=C(C=CC=C3)C=C2 S457825 [0,2,0,0,0,0|2,0,0]=4 50 B18R3.159486 CCC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 R157678 [0,2,0,0,0,0|2,0,0]=4 51 B18R3.159486 COC1=CC2=C(C=CC=C2)C3=CC=CC=C13 S973246 [0,2,0,0,0,0|2,0,0]=4 52 B18R3.422788 BrC1=C(C2=C(C=CC=C2)C3=C1C=CC=C3)Br S809640 [0,2,0,0,0,0|2,0,0]=4 53 B18R3.422788 NC1=C(C2=C(C=CC=C2)C3=C1C=CC=C3)Br S842656 [0,2,0,0,0,0|2,0,0]=4 54 B16R3.4911 C1=CC2=CC=CC3=C2C(=CC=C3)C=C1 T228613 [0,0,1,1,0,0|2,0,0]=4 55 B18R4.923296 C1=CC2=C3C(=C1)NC4=CC=CC(=C34)C=C2 PH007423 [0,1,0,1,0,0|2,0,0]=4 56 B14R2.98 O=CC1=CC=CN=C1C2=CSC=C2 CDS015777 [0,0,1,0,1,0|2,0,0]=4 57 B14R2.6 C1=CC=C(C=C1)OC2=CN=CC=C2 CDS020813 [0,0,1,0,1,0|2,0,0]=4 58 B14R2.101 C1=CC=C(C=C1)/C=C/C2=NC=CN2 PH000164 [0,0,1,0,1,0|2,0,0]=4 59 B16R2.4062 CC1=C(N=CC=C1)NC2=C(C=CC=N2)C S570699 [0,0,1,0,0,1|0,0,2]=4 60 B16R2.2256 C1=CC=C(C=C1)/C=C/SC2=CC=CC=C2 S807001 [0,0,1,0,0,1|2,0,0]=4 61 B18R3.2173 C1=CC=C2C(=C1)CC=CCC3=C2C=CC=C3 T197254 [0,0,0,0,0,2|2,0,0]=4