0 B14R2.29369 CC1=C(C=CC2=C1CCC(=O)O2)Cl IDF00015 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [1,0,0,0,0,0|2,1,0]=4 3 B13R1.2879 CC1=CC=C(C=C1Cl)NC(=O)NO S735493 [0,0,1,0,0,0|3,0,0]=4 4 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,0,1,0,0,0|2,0,0]=3 7 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,0,1,0,0,0|1,0,0]=2 8 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,0,1,0,0,0|2,0,0]=3 10 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,0,1,0,0,0|2,0,0]=3 12 B13R1.2879 CS/C(=N/C1=CC=C(C(=C1)Cl)Cl)/N PH013324 [0,0,1,0,0,0|1,0,2]=4 13 B13R1.2879 NNC(=S)NC1=CC=C(C(=C1)Cl)F S934763 [0,0,1,0,0,0|2,1,0]=4 14 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S188921 [0,0,1,0,0,0|3,0,0]=4 15 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S746584 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [1,0,1,0,0,0|1,0,0]=3 19 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [1,0,1,0,0,0|1,1,0]=4 22 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [1,0,1,0,0,0|1,0,0]=3 24 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [1,0,1,0,0,0|1,0,0]=3 25 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [1,0,1,0,0,0|1,1,0]=4 27 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [1,0,1,0,0,0|1,1,0]=4 30 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [1,0,1,0,0,0|1,1,0]=4 31 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [1,0,1,0,0,0|1,0,0]=3 34 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [1,0,1,0,0,0|1,0,0]=3 36 B12R1.233 CC1=CC=C(C(=C1)C)NC(=N)N S614645 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.233 CC1=CC=C(C(=C1)C)NC(=S)N R611220 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.233 NC(=S)NC1=CC=C(C=C1Cl)Cl S655031 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [1,0,1,0,0,0|1,0,0]=3 44 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [1,0,1,0,0,0|1,1,0]=4 45 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.19 N=C(N)NC1=CC=C(C(=C1)Cl)Cl S614629 [1,0,1,0,0,0|0,0,0]=2 47 B12R1.19 NC(=CC1=CC(=C(C=C1)Cl)Cl)N PH019006 [1,0,1,0,0,0|1,0,1]=4 48 B12R1.19 NC(=S)NC1=CC(=C(C=C1)Cl)Cl PH000037 [1,0,1,0,0,0|1,0,0]=3 49 B12R1.19 NC(=S)NC1=CC=C(C(=C1)Cl)F JRD0341 [1,0,1,0,0,0|1,1,0]=4 50 B12R1.19 S=C([S-])NC1=CC(=C(C=C1)Cl)Cl S686565 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [1,0,1,0,0,0|1,1,0]=4 54 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [1,0,1,0,0,0|1,0,0]=3 55 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [1,0,1,0,0,0|1,1,0]=4 58 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.224 CC1=C(C(=CC=C1)NC(=O)N)C S536148 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.224 CC1=C(C(=CC=C1)NC(=S)N)C R238619 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [1,0,1,0,0,0|2,0,0]=4 64 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [2,0,0,0,0,0|0,0,2]=4 66 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [2,0,0,0,0,0|1,0,0]=3 68 B14R1.686 CN(C)C(=O)NC1=CC=C(C(=C1)Cl)Cl S279013 [0,1,1,0,0,0|1,0,0]=3 69 B14R1.967 C(=O)NC(=O)NC1=CC=C(C(=C1)Cl)Cl S856487 [0,1,1,0,0,0|1,0,1]=4 70 B14R1.967 CCNC(=O)NC1=CC=C(C(=C1)Cl)C S646636 [0,1,1,0,0,0|2,0,0]=4 71 B14R1.967 CCNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613444 [0,1,1,0,0,0|1,0,0]=3 72 B14R1.967 CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl S634433 [0,1,1,0,0,0|2,0,0]=4 73 B14R1.20236 CCC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S700207 [0,1,1,0,0,0|2,0,0]=4 74 B14R1.20236 CNC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S666963 [0,1,1,0,0,0|1,0,0]=3 75 B14R1.20236 CNC(=O)NC1=CC(=C(C=C1C)Cl)Cl S892890 [0,1,1,0,0,0|1,0,0]=3 76 B14R1.20236 COC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S607681 [0,1,1,0,0,0|2,0,0]=4 77 B14R2.4506 N1C(=O)C(=O)C2=C1C=CC(=C2Cl)Cl S53881 [0,1,0,0,1,0|1,0,1]=4 78 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,0,1,0,1,0|1,0,0]=3 79 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,0,1,0,1,0|2,0,0]=4 80 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,0,1,0,1,0|2,0,0]=4 81 B12R2.82 ClC1=CN=C2NC=CC2=C1Cl ADE001014 [1,0,0,0,1,0|1,0,1]=4 82 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [1,0,0,0,1,0|1,1,0]=4 84 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [1,0,0,0,1,0|1,0,1]=4 85 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [1,0,0,0,1,0|0,0,2]=4 87 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [1,0,0,0,1,0|2,0,0]=4 88 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [1,0,0,0,1,0|1,1,0]=4 91 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [1,0,0,0,1,0|1,0,1]=4 92 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [1,0,0,0,1,0|1,0,1]=4 93 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [1,0,0,0,1,0|1,0,1]=4 95 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [1,0,0,0,1,0|1,1,0]=4 96 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [1,0,0,0,1,0|2,0,0]=4 97 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl CDS023561 [1,0,0,0,1,0|2,0,0]=4 98 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [1,0,0,0,1,0|2,0,0]=4