0 B13R2.573 COC1=C2NC=C(Br)C2=CC=N1 4368AB [1,0,0,0,0,0|3,0,0]=4 1 B13R2.573 COC1=C2NC=C(I)C2=CC=N1 3226AA [1,0,0,0,0,0|3,0,0]=4 2 B13R2.573 COC1=C2NN=C(I)C2=CC=C1 4320AB [1,0,0,0,0,0|3,0,0]=4 3 B13R2.581 COC1=C2NC(=O)SC2=CC=C1 W8547 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 W8365 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.581 COC1=CC=CC2=C1N=C(Br)S2 7885AJ [1,0,0,0,0,0|2,0,1]=4 6 B13R2.581 COC1=CC=CC2=C1N=C(Cl)S2 4291AB [1,0,0,0,0,0|2,0,1]=4 7 B13R2.581 COC1=CC=CC2=C1NC(=O)C2 V2294 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.581 N#CC1=CC=CC2=C1NC(=O)C2 V5602 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.22165 COC1=C2NC(=O)C(=O)C2=C(Br)C=C1 0359AC [0,1,0,0,0,0|1,0,1]=3 10 B15R2.22624 CCC1=CC(Br)=CC2=C1NC(=O)C2=O 4263AB [0,1,0,0,0,0|2,0,1]=4 11 B13R1.91 COC1=C(CC(=O)NN)C=CC=C1 0994AE [0,0,1,0,0,0|2,0,0]=3 12 B13R1.91 CSC1=C(NC(=O)CCl)C=CC=C1 2767AF [0,0,1,0,0,0|2,1,0]=4 13 B15R2.20937 COC1=CC=CC2=C(O)C=C(C)N=C12 6969AB [0,0,0,0,0,1|2,0,1]=4 14 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 X9328 [1,0,1,0,0,0|1,0,1]=4 15 B12R1.435 COC1=CC(C(O)CN)=CC=C1 9377AJ [1,0,1,0,0,0|1,0,1]=4 16 B12R1.435 COC1=CC=CC(C(O)CN)=C1 2592AB [1,0,1,0,0,0|1,0,1]=4 17 B12R1.440 COC1=CC=CC(C(=O)O)=C1I 6985AB [1,0,1,0,0,0|2,0,0]=4 18 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 3093AH [1,0,1,0,0,0|1,0,0]=3 19 B12R1.75 COC1=CC=CC=C1CC(=O)Cl 1722AL [1,0,1,0,0,0|2,0,0]=4 20 B12R1.75 COC1=CC=CC=C1OC(C)=O 6698AE [1,0,1,0,0,0|2,0,0]=4 21 B12R1.75 COC1=NC=CC=C1NC(C)=O 7169AB [1,0,1,0,0,0|2,0,0]=4 22 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 3877AH [1,0,1,0,0,0|1,1,0]=4 23 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 7569AB [1,0,1,0,0,0|2,0,0]=4 24 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [1,0,1,0,0,0|2,0,0]=4 25 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [1,0,1,0,0,0|2,0,0]=4 26 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl 1456AE [1,0,1,0,0,0|2,0,0]=4 27 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 1110AJ [1,0,1,0,0,0|2,0,0]=4 28 B12R2.196 CN1C=CC2=C1C=CC=C2O W8279 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.315 COC1=C2NC=CC2=NC=C1 5870AB [2,0,0,0,0,0|2,0,0]=4 30 B12R2.315 COC1=C2OC=CC2=CC=C1 W8060 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.315 COC1=C2SC=NC2=CC=C1 3720AJ [2,0,0,0,0,0|1,0,1]=4 32 B12R2.315 COC1=CC=CC2=C1C=NN2 W5677 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.315 COC1=CC=CC2=C1NCC2 3908AB [2,0,0,0,0,0|1,0,1]=4 34 B12R2.315 COC1=NC=CC2=C1C=CN2 W9688 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.315 COC1=NC=CC2=C1NC=C2 Y7702 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.315 CSC1=CC=CC2=C1NC=C2 5919AC [2,0,0,0,0,0|1,1,0]=4 37 B12R2.202 CC1=C2N=C(Cl)NC2=CC=C1 8038AA [2,0,0,0,0,0|1,0,1]=4 38 B12R2.202 CC1=C2NC(=O)CC2=NC=C1 W6992 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.202 CC1=C2NC(=O)NC2=CC=C1 V4053 [2,0,0,0,0,0|0,0,0]=2 40 B12R2.202 CC1=C2NC(=O)SC2=CC=C1 1411AC [2,0,0,0,0,0|1,0,0]=3 41 B12R2.202 CC1=CC2=C(N1)C(C)=CC=C2 Z1704 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.202 CC1=CC=NC2=C1NC(=O)N2 6491AJ [2,0,0,0,0,0|1,0,0]=3 43 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 2704AA [2,0,0,0,0,0|1,0,0]=3 44 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 Y7437 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.202 O=C1NC2=C(N1)C(Br)=CN=C2 8184AA [2,0,0,0,0,0|2,0,0]=4 46 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 3760AC [2,0,0,0,0,0|2,0,0]=4 47 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [2,0,0,0,0,0|2,0,0]=4 48 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [2,0,0,0,0,0|1,1,0]=4 49 B14R1.965 CCC1=C(NC(=O)\C=N\O)C=CC=C1 9193AE [0,1,1,0,0,0|1,0,1]=4 50 B14R1.965 COC1=CC=CC=C1NC(=O)CCCl 5622AE [0,1,1,0,0,0|2,0,0]=4 51 B14R1.965 COC1=CC=CC=C1NC(=O)\C=N\O 7123AE [0,1,1,0,0,0|0,0,1]=3 52 B14R1.3135 CCC1=C(NC(=O)C(=O)O)C=CC=C1 4495AE [0,1,1,0,0,0|2,0,0]=4 53 B14R1.3279 COC1=CC=C(Cl)C=C1NC(=O)CBr 3617AD [0,1,1,0,0,0|2,0,0]=4 54 B14R2.712 CC(=O)C1=C2NC(=O)OC2=CC=C1 0974AC [1,1,0,0,0,0|2,0,0]=4 55 B14R2.11647 COC1=C2OC(C=O)=CC2=CC=C1 4069AC [1,1,0,0,0,0|2,0,0]=4 56 B14R2.11690 COC1=CC=CC2=C1C(=O)C(=O)N2 Y7009 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.4220 O=C1NC2=C(C=CC=C2F)\C1=N/O V3317 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 6173AJ [1,1,0,0,0,0|1,0,1]=4 59 B14R2.8620 CC1=CC=C(Cl)C2=C1NC(=O)C2=O 6669AE [1,1,0,0,0,0|1,0,1]=4 60 B14R2.8737 CC1=C(C)C2=C(C=C1)C(=O)C(=O)N2 0364AB [1,1,0,0,0,0|1,0,1]=4 61 B14R2.8737 CC1=C(Cl)C=CC2=C1NC(=O)C2=O 7207AE [1,1,0,0,0,0|1,0,1]=4 62 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Br)=C1 2118AC [1,1,0,0,0,0|1,0,1]=4 63 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 9162AE [1,1,0,0,0,0|1,0,1]=4 64 B16R2.36854 COC1=CC=CC2=C1C(=O)OC(=O)N2C 3347AH [0,1,0,0,0,1|2,0,0]=4 65 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O X8637 [0,2,0,0,0,0|1,0,1]=4 66 B16R2.36584 COC1=C2C=C(C(=O)O)N(C)C2=CC=C1 9039AE [0,2,0,0,0,0|2,0,0]=4 67 B16R2.36584 COC1=CC=CC2=C1NC(C(=O)O)=C2C 6939AE [0,2,0,0,0,0|2,0,0]=4 68 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 5586AE [0,0,1,0,1,0|2,0,0]=4 69 B12R1.77 COC1=C(C(=O)NN)C=CC=N1 2420AF [0,0,1,0,1,0|2,0,0]=4 70 B12R1.77 COC1=CC=CC=C1C(=O)C#N 1225AC [0,0,1,0,1,0|2,0,0]=4 71 B12R1.77 COC1=CC=CC=C1C(=O)C=O 9051AD [0,0,1,0,1,0|1,0,1]=4 72 B12R1.77 COC1=CC=CC=C1\C(Cl)=N\O 1566AC [0,0,1,0,1,0|1,0,1]=4 73 B12R1.77 CSC1=CC=CC=C1C(=O)NN 1854AF [0,0,1,0,1,0|1,1,0]=4 74 B14R1.863 COC1=C(OCC(=O)NN)C=CC=C1 8439AC [0,0,1,0,0,1|2,0,0]=4 75 B14R1.863 COC1=CC=CC=C1NCC(=O)NN 8923AC [0,0,1,0,0,1|1,0,0]=3 76 B14R2.8045 CC1=CC(=O)NC2=C(C)C=CC=C12 5115AE [1,0,0,0,0,1|2,0,0]=4 77 B14R2.8045 CC1=CC=CC2=C1NC(=O)C=C2O Z4265 [1,0,0,0,0,1|1,0,0]=3 78 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O Y6350 [1,0,0,0,0,1|1,0,1]=4