0 B14R2.7724 CC1=CC(=O)N(C)C2=CC=CC=C12 MC116246 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.7724 O=C1C=C(Cl)C2=CC=CC=C2C1=O MC113411 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 MC418479 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 MC100339 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 CS11396 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.32 CC1=C2N=CC=CC2=CC=C1Br CS16280 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 MC443371 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.32 NC1=C(I)C2=CC=CC=C2C=C1 MC432564 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 MC111623 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS20594 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS11263 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 MC443143 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 MC431929 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 MC431970 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 MC440080 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS10067 [1,0,0,0,0,0|1,0,2]=4 16 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 CS17170 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 CS22654 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 MC107481 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 CS10935 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 CS22591 [1,0,0,0,0,0|1,0,0]=2 21 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 MC442263 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS22546 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 CS17133 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 MC441080 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 CS21246 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 MC442487 [1,0,0,0,0,0|1,0,1]=3 27 B13R2.328 NC1=NC2=CC=CC=C2C(O)=N1 MC442491 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.328 O=C1C=C(O)C2=NC=CC=C2N1 CS17474 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [1,0,0,0,0,0|1,0,1]=3 32 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [1,0,0,0,0,0|1,0,1]=3 33 B13R2.328 OC1=C2N=CC=CC2=CC(Br)=C1 MC443669 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.328 OC1=C2N=CC=CC2=CC(F)=C1 MC121306 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 CS21445 [1,0,0,0,0,0|1,0,1]=3 36 B13R2.371 BrC1=CC=C(Br)C2=CC=CC=C12 CS11241 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.371 BrC1=CC=C(I)C2=CC=CC=C12 MC426177 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.371 CC1=C2N=CC=CC2=C(Br)C=C1 MC443275 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 MC443347 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.371 CC1=CN=C(Cl)C2=CC=CC=C12 MC442712 [1,0,0,0,0,0|3,0,0]=4 41 B13R2.371 FC1=CC=C(Br)C2=CC=CC=C12 MC41764 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 CS20596 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.371 NC1=CC=C(F)C2=CC=CC=C12 MC431370 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 MC443752 [1,0,0,0,0,0|2,0,0]=3 45 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 MC445102 [1,0,0,0,0,0|2,0,0]=3 46 B13R2.371 OC1=CC=C(Br)C2=CC=CC=C12 CS19148 [1,0,0,0,0,0|2,0,0]=3 47 B13R2.371 OC1=CC=C(Cl)C2=CC=CC=C12 MC443632 [1,0,0,0,0,0|2,0,0]=3 48 B15R2.21211 COC1=NC(N)=C(C)C2=CC=CC=C21 MC111233 [0,1,0,0,0,0|3,0,0]=4 49 B15R2.61763 CC1(C)C(=O)OC(=O)C2=CC=CC=C21 CS16617 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.3085 CC1=C(I)N(C)C2=CC=CC=C21 MC114572 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,0,1,0,0,0|0,0,2]=4 52 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [1,0,1,0,0,0|1,0,1]=4 53 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [1,0,1,0,0,0|1,0,0]=3 54 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 MC40221 [1,0,1,0,0,0|2,0,0]=4 55 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [2,0,0,0,0,0|1,0,1]=4 57 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [2,0,0,0,0,0|1,0,0]=3 62 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS12516 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 CS17925 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [2,0,0,0,0,0|0,0,2]=4 65 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 CS19505 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 CS22702 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 MC33383 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 CS11338 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CS11332 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.1081 CC1=CN=CC2=CC=CC=C12 CS13187 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 C[N+]1=CC=NC2=CC=CC=C21 MC113795 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 CS19192 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.1081 FC1=CC=CC2=CC=CC=C12 MC20582 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 Ic1cccc2ccccc12 MC434036 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CS20774 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 NC1=CC=CC2=CC=CC=C12 MC41752 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CS18376 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.1081 N[N+]1=CC=CC2=CC=CC=C21 MC107680 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [2,0,0,0,0,0|0,0,1]=3 82 B12R2.1081 O=C1C=CNC2=CN=CC=C12 MC105662 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MC30343 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 CS10980 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 CS10979 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CS18546 [2,0,0,0,0,0|1,0,0]=3 88 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CS21522 [2,0,0,0,0,0|0,0,1]=3 89 B12R2.1081 OC1=CN=NC2=CC=CC=C12 CS22888 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.1081 OC1=NC=CC2=CC=CC=C21 CS10978 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.1081 OC1=NC=NC2=CC=CC=C21 CS14542 [2,0,0,0,0,0|1,0,1]=4 92 B14R2.4513 CN1C(=O)C=NC2=CC=C(Br)C=C21 CS12497 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.8188 CN1C(=O)C(=O)NC2=C1N=CC=C2 MC107830 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.29369 CN1C(=O)CNC2=CC(Cl)=CC=C21 MC443710 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 MC431958 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.1146 COC1=CC(N)=CC2=CC=CC=C21 MC437965 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 CS22686 [1,1,0,0,0,0|1,0,0]=3 98 B14R2.8045 O=C1NC2=C(C=CC=C2Br)C(=O)O1 MC106559 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.8045 O=C1NC2=C(C=CC=C2F)C(=O)O1 MC106613 [1,1,0,0,0,0|1,0,1]=4 100 B14R2.8235 CC1=CC(=O)NC2=CC=C(Cl)C=C12 CS13605 [1,1,0,0,0,0|1,0,0]=3 101 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 MC440304 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.8235 CC1=CC=C2N=C(O)C=C(O)C2=C1 CS12343 [1,1,0,0,0,0|0,0,2]=4 103 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2N1 CS15981 [1,1,0,0,0,0|0,0,0]=2 104 B14R2.8235 O=C1C=C(O)NC2=CC=C(Br)C=C12 CS18059 [1,1,0,0,0,0|0,0,2]=4 105 B14R2.8235 O=C1NC(=O)C2=CC(Br)=CC=C2N1 CS10625 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 CS20584 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 MC20080 [1,1,0,0,0,0|1,0,1]=4 108 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 CS11356 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.29365 CC1=CC(=O)OC2=CC(S)=CC=C12 MC443166 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.29365 NC1=CC=C2C(=O)NC(=O)NC2=C1 CS15875 [1,1,0,0,0,0|1,0,1]=4 111 B14R2.29365 O=C1NC(=O)C2=CC=C(Br)C=C2N1 CS12898 [1,1,0,0,0,0|1,0,1]=4 112 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 CS12315 [1,1,0,0,0,0|1,0,1]=4 113 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 MC20649 [1,1,0,0,0,0|1,0,1]=4 114 B14R2.1131 BrCC1=CC=C(Br)C2=CC=CC=C12 MC20998 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.1131 COC1=CC=C(F)C2=CC=CC=C12 MC107674 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.8716 CN1C(=O)C(=O)C2=CC(Cl)=CC=C21 CS17413 [0,1,0,0,1,0|0,0,1]=3 117 B14R2.19306 CN1C2=CC=CC=C2C(C#N)=C1I MC114641 [0,1,0,0,1,0|2,0,0]=4 118 B16R2.35373 COC1=C(C=O)C=C(F)C2=CC=CC=C21 MC107675 [0,2,0,0,0,0|2,0,0]=4 119 B16R2.8682 CN1C(=O)C(C#N)=C(O)C2=CC=CC=C21 MC111140 [0,2,0,0,0,0|0,0,0]=2 120 B14R2.598 CC1=CC(=O)N(C2=CC=CC=C2)N1 MC442508 [0,0,1,1,0,0|2,0,0]=4 121 B14R2.25733 CC(=O)N1C=C(O)C2=CC=CC=C21 CS11349 [0,0,1,1,0,0|0,0,2]=4 122 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 CS20587 [0,0,1,1,0,0|0,0,2]=4 123 B14R2.11635 COC1=C2C(O)=CC=NC2=CC=C1 MC102759 [0,0,1,1,0,0|2,0,0]=4 124 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [1,0,0,0,1,0|1,0,0]=3 125 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [1,0,0,0,1,0|1,0,0]=3 127 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [1,0,0,0,1,0|1,0,0]=3 128 B12R2.246 O=C1C=C(O)C2=C(N1)SC=C2 CS22896 [1,0,0,0,1,0|1,0,0]=3 129 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [1,0,0,0,1,0|1,0,1]=4 130 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [1,0,0,0,1,0|1,0,1]=4 131 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [1,0,0,0,1,0|2,0,0]=4 132 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [1,0,0,0,1,0|1,0,1]=4 133 B12R2.221 CC1=CC=C(O)C2=C1NC=C2 MC444627 [1,0,0,0,1,0|2,0,0]=4 134 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 MC116462 [1,0,0,0,0,1|1,0,1]=4 135 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 MC104102 [1,0,0,0,0,1|0,0,2]=4