0 B14R2.68 NC1=CC=C(C2=CC=CN=C2)C=C1 CC40014 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.68 NC1=CC=C(C2=NC=CC=N2)C=C1 CC56214 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.68 NC1=CN=C(C2=CC=CC=C2)C=C1 CC21114 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.68 NC1=CN=C(C2=CC=CC=C2)C=N1 MAY00127 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.1 ClCC1=CC=C(C2=NC=CC=N2)C=C1 CC56224 [0,1,0,0,0,0|2,0,0]=3 5 B15R2.1 ClCC1=CN=C(C2=CC=CC=C2)N=C1 CC66324 [0,1,0,0,0,0|2,0,0]=3 6 B15R2.1 N#CC1=CC=C(C2=NC=CC=N2)C=C1 CC56216 [0,1,0,0,0,0|2,0,1]=4 7 B15R2.1 N#CC1=CN=C(C2=CC=CC=C2)C=C1 CC21116 [0,1,0,0,0,0|1,0,1]=3 8 B15R2.1 O=CC1=CC=C(C2=CC=CN=C2)C=C1 CC40004 [0,1,0,0,0,0|1,0,1]=3 9 B15R2.1 O=CC1=CC=C(C2=CC=NC=C2)C=C1 CC35404 [0,1,0,0,0,0|1,0,1]=3 10 B15R2.1 O=CC1=CC=C(C2=NC=CC=N2)C=C1 CC56204 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.1 O=CC1=CN=C(C2=CC=CC=C2)C=C1 CC21104 [0,1,0,0,0,0|1,0,1]=3 12 B15R2.1 O=CC1=CN=C(C2=CC=CC=C2)N=C1 CC66304 [0,1,0,0,0,0|2,0,1]=4 13 B15R2.1 O=CC1=NC=C(C2=CC=CC=C2)C=C1 CC55004 [0,1,0,0,0,0|1,0,1]=3 14 B15R2.1 OCC1=CC=C(C2=CN=CC=C2)C=C1 CC40009 [0,1,0,0,0,0|1,0,0]=2 15 B15R2.1 OCC1=CC=C(C2=CN=CN=C2)C=C1 CC44309 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.1 OCC1=CC=C(C2=NC=CC=N2)C=C1 CC56209 [0,1,0,0,0,0|2,0,0]=3 17 B15R2.1 OCC1=CN=C(C2=CC=CC=C2)C=C1 CC21109 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.1 OCC1=CN=C(C2=CC=CC=C2)N=C1 CC66309 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.28 SC1=NC(C2=CC=C(Cl)C=C2)=CC=N1 KM05717 [0,1,0,0,0,0|3,0,0]=4 20 B15R2.94 FC1=CC=C(C2=CC=CC=C2)C=C1Br SB02017 [0,1,0,0,0,0|1,0,0]=2 21 B13R2.10 BrC1=CC=C(C2=CC=CN=C2)S1 CC66810 [0,0,0,0,1,0|3,0,0]=4 22 B13R2.10 BrC1=CC=C(C2=CC=NC=C2)S1 CC67010 [0,0,0,0,1,0|3,0,0]=4 23 B13R2.10 BrC1=CC=C(C2=NC=CC=C2)S1 CC02210 [0,0,0,0,1,0|3,0,0]=4 24 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 KM00060 [0,0,0,0,1,0|3,0,0]=4 25 B13R2.12 BrC1=CC=C(C2=CC=CO2)C=C1 CC34410 [0,0,0,0,1,0|2,0,0]=3 26 B13R2.12 BrC1=CC=C(C2=CC=NO2)C=C1 CC12910 [0,0,0,0,1,0|3,0,0]=4 27 B13R2.12 CC1=CC=C(C2=CN=CO2)C=C1 SEW00783 [0,0,0,0,1,0|2,0,0]=3 28 B13R2.12 IC1=CC=C(C2=CC=NO2)C=C1 CC12911 [0,0,0,0,1,0|3,0,0]=4 29 B13R2.12 IC1=CC=C(N2C=CC=N2)C=C1 CC18411 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 DFP00120 [0,0,0,0,1,0|3,0,0]=4 31 B13R2.12 NC1=CC=C(N2C=CC=C2)C=C1 CC25514 [0,0,0,0,1,0|2,0,0]=3 32 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 CC18414 [0,0,0,0,1,0|3,0,0]=4 33 B15R2.29 BrC1=CC=C(OC2=NC=CC=C2)C=C1 CC48910 [0,0,0,0,0,1|2,0,0]=3 34 B15R2.29 IC1=CN=C(OC2=CC=CC=C2)C=C1 CC19611 [0,0,0,0,0,1|2,0,0]=3 35 B15R2.29 NC1=CC=C(CC2=CC=NC=C2)C=C1 BTB01214 [0,0,0,0,0,1|2,0,0]=3 36 B15R2.29 NC1=CN=C(OC2=CC=CC=C2)C=C1 CC19614 [0,0,0,0,0,1|2,0,0]=3 37 B14R2.21 NC1=CC(C2=NC=CC=N2)=CC=C1 CC56314 [1,1,0,0,0,0|2,0,0]=4 38 B14R2.21 NC1=CC=CC(C2=CC=CN=C2)=C1 CC39814 [1,1,0,0,0,0|1,0,0]=3 39 B14R2.21 NC1=CC=CC(C2=CN=CN=C2)=C1 CC41714 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.24 NC1=C(C2=CC=CN=C2)C=CC=C1 CC41814 [1,1,0,0,0,0|1,0,0]=3 41 B14R2.8 BrCC1=CC(C2=CC=CC=C2)=NO1 CC64508 [0,1,0,0,1,0|2,0,0]=4 42 B14R2.8 ClCC1=CSC(C2=CC=CC=C2)=N1 CC18324 [0,1,0,0,1,0|2,0,0]=4 43 B14R2.8 ClCC1=NOC(C2=CC=CC=C2)=C1 CC30524 [0,1,0,0,1,0|2,0,0]=4 44 B14R2.8 NCC1=CC(C2=CC=CC=C2)=NO1 CC64513 [0,1,0,0,1,0|2,0,0]=4 45 B14R2.8 NCC1=CC=C(C2=CC=CN=C2)S1 CC66813 [0,1,0,0,1,0|2,0,0]=4 46 B14R2.8 NCC1=CSC(C2=CC=CC=C2)=N1 CC18313 [0,1,0,0,1,0|2,0,0]=4 47 B14R2.8 OCC1=CC=C(C2=CC=NC=C2)S1 CC67009 [0,1,0,0,1,0|2,0,0]=4 48 B14R2.8 OCC1=NOC(C2=CC=CC=C2)=C1 CC30509 [0,1,0,0,1,0|2,0,0]=4 49 B14R2.20 CN1C=CC(C2=CC=C(N)C=C2)=N1 CC23814 [0,1,0,0,1,0|2,0,0]=4 50 B14R2.22 CN1C=CC(C2=CC(Br)=CC=C2)=N1 CC60610 [0,1,0,0,1,0|2,0,0]=4 51 B14R2.22 CN1C=CC(C2=CC(N)=CC=C2)=N1 CC60614 [0,1,0,0,1,0|2,0,0]=4 52 B14R2.256 CC1=NC(C2=CC=CC=C2Br)=CS1 CC68410 [0,1,0,0,1,0|2,0,0]=4 53 B14R2.256 CC1=NC(C2=CC=CC=C2N)=CS1 CC68414 [0,1,0,0,1,0|2,0,0]=4 54 B14R2.260 CC1=C(Br)OC(C2=CC=CC=C2)=N1 CC18110 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.260 CC1=C(Br)SC(C2=CC=CC=C2)=N1 CC29210 [0,1,0,0,1,0|2,0,0]=4 56 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1N KM01136 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.4514 CC1=C(I)C(C2=CC=CC=C2)=NO1 CC00511 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.4514 CC1=NOC(C2=CC=CC=C2)=C1I CC20311 [0,1,0,0,1,0|2,0,0]=4 59 B14R2.1 ClCC1=CC=C(C2=NC=CS2)C=C1 CC40224 [0,1,0,0,1,0|2,0,0]=4 60 B14R2.1 N#CC1=CC=C(C2=CSC=C2)C=C1 CC48716 [0,1,0,0,1,0|1,0,1]=4 61 B14R2.1 N#CC1=CC=C(N2C=CC=C2)C=C1 CC25516 [0,1,0,0,1,0|1,0,1]=4 62 B14R2.1 NCC1=CC=C(C2=CSC=C2)C=C1 CC48713 [0,1,0,0,1,0|1,0,0]=3 63 B14R2.1 NCC1=CN=C(C2=CC=CS2)C=C1 CC54863 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.1 O=CC1=CC=C(C2=CC=CO2)C=C1 CC34404 [0,1,0,0,1,0|1,0,1]=4 65 B14R2.1 O=CC1=CC=C(C2=CC=CS2)C=C1 CC12004 [0,1,0,0,1,0|1,0,1]=4 66 B14R2.1 O=CC1=CC=C(C2=CSC=C2)C=C1 CC48704 [0,1,0,0,1,0|1,0,1]=4 67 B14R2.1 OCC1=CC=C(C2=CC=CO2)C=C1 CC34409 [0,1,0,0,1,0|1,0,0]=3 68 B14R2.1 OCC1=CC=C(C2=CC=CS2)C=C1 CC12009 [0,1,0,0,1,0|1,0,0]=3 69 B14R2.1 OCC1=CC=C(C2=CSC=C2)C=C1 CC48709 [0,1,0,0,1,0|1,0,0]=3 70 B14R2.1 OCC1=CC=C(C2=NC=CS2)C=C1 CC40209 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.1 OCC1=CC=C(N2C=CC=C2)C=C1 CC25509 [0,1,0,0,1,0|1,0,0]=3 72 B14R2.1 OCC1=CC=C(N2C=CC=N2)C=C1 CC18409 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.1 OCC1=CC=C(N2C=CN=C2)C=C1 CC18509 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.1 OCC1=CN=C(C2=CC=CS2)C=C1 CC54809 [0,1,0,0,1,0|2,0,0]=4 75 B16R2.2 BrCC1=CC=C(OC2=CC=CC=C2)C=C1 CC53708 [0,1,0,0,0,1|0,0,0]=2 76 B16R2.2 NCC1=CC=C(OC2=CC=CC=C2)C=C1 CC53763 [0,1,0,0,0,1|0,0,0]=2 77 B16R2.2 NCC1=CN=C(NC2=CC=CC=C2)N=C1 CC69213 [0,1,0,0,0,1|2,0,0]=4 78 B16R2.2 O=CC1=CC=C(OC2=CC=CC=N2)C=C1 CC48904 [0,1,0,0,0,1|1,0,1]=4 79 B16R2.2 O=CC1=CN=C(OC2=CC=CC=C2)C=C1 CC19604 [0,1,0,0,0,1|1,0,1]=4 80 B16R2.2 OCC1=CC=C(OC2=CC=CC=N2)C=C1 CC48909 [0,1,0,0,0,1|1,0,0]=3 81 B16R2.33 CC1=CC=C(OC2=CC=C(Br)C=C2)N=N1 CC21310 [0,1,0,0,0,1|2,0,0]=4 82 B16R2.1 COC1=CC=C(C2=NC(S)=NC=C2)C=C1 KM04163 [0,2,0,0,0,0|2,0,0]=4 83 B16R2.7 CNCC1=CC=C(C2=CC=NC=C2)C=C1 CC35446 [0,2,0,0,0,0|1,0,0]=3 84 B16R2.7 CNCC1=CC=C(C2=CN=CN=C2)C=C1 CC44346 [0,2,0,0,0,0|2,0,0]=4 85 B16R2.7 CNCC1=CC=C(C2=NC=CC=N2)C=C1 CC56246 [0,2,0,0,0,0|2,0,0]=4 86 B16R2.7 CNCC1=CN=C(C2=CC=CC=C2)C=C1 CC21146 [0,2,0,0,0,0|1,0,0]=3 87 B16R2.7 CNCC1=CN=C(C2=CC=CC=C2)N=C1 CC66346 [0,2,0,0,0,0|2,0,0]=4 88 B16R2.7 CNCC1=NC=C(C2=CC=CC=C2)C=C1 CC55046 [0,2,0,0,0,0|1,0,0]=3 89 B16R2.85 O=C(O)C1=CC=C(C2=CC=NC=C2)C=C1 CC35401 [0,2,0,0,0,0|1,0,1]=4 90 B16R2.85 O=C(O)C1=CN=C(C2=CC=CC=C2)C=C1 CC21101 [0,2,0,0,0,0|1,0,1]=4 91 B16R2.85 O=C(O)C1=NC=C(C2=CC=CC=C2)C=C1 CC55001 [0,2,0,0,0,0|1,0,1]=4 92 B16R2.2279 CC1=NC(C2=CC=CC=C2)=NC=C1CO CC20209 [0,2,0,0,0,0|2,0,0]=4 93 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2C=CC=C3 JFD01173 [0,0,0,1,0,1|1,0,0]=3 94 B12R2.2 C1=CN=CC(N2C=CC=C2)=C1 CD03810 [1,0,0,0,1,0|2,0,0]=4 95 B16R2.132 BrC1=CC=C(COC2=CC=CC=C2)C=C1 CC63710 [0,0,0,0,0,2|1,0,0]=3