0 B14R2.8051 CC1=C2C(=CC=C1)C(=CN=C2Cl)Br MCULE-8634045853 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.8051 CC1=C2C(=CN=C(C2=CC=C1)Cl)Br MCULE-8693366182 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.8051 CC1=C2C(=CNC(=O)C2=CC=C1)Br MCULE-5783303809 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8051 CC1=C2N=CC=C(C2=C(C=C1)Br)Br MCULE-4348711042 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.8051 CC1=C2N=CC=C(C2=C(C=C1)Br)Cl MCULE-5460611287 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.8051 CC1=C2N=CC=C(C2=C(C=C1)Cl)Cl MCULE-9579135981 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.8051 CC1=C2N=CC=C(C2=C(C=C1)Cl)O MCULE-3015933810 [0,0,0,0,0,0|3,0,0]=3 7 B14R2.8051 CC1=CC=C(C2=C(C=CC=C12)C)Br MCULE-1057752556 [0,0,0,0,0,0|3,0,0]=3 8 B14R2.8051 CC1=CC=C(C2=C(C=CN=C12)O)C MCULE-5779485521 [0,0,0,0,0,0|3,0,0]=3 9 B14R2.8051 CC1=CC=C(C2=C1NC=CC2=O)Br MCULE-4967433999 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.8051 CC1=CC=CC2=C(C=CC(=C12)C)C MCULE-1770853320 [0,0,0,0,0,0|3,0,0]=3 11 B14R2.8051 CC1=CC=NC2=C(C=CC(=C12)C)Br MCULE-9521275265 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.8051 CC1=CN=CC2=C(C=CC(=C12)Br)Br MCULE-1383229188 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.8051 C[N+]1=CC=CC2=C1C(=CC=C2Br)O MCULE-2257641534 [0,0,0,0,0,0|3,0,0]=3 14 B14R2.8051 C[N+]1=CC=CC2=C1C(=CC=C2Br)[O-] MCULE-6426338545 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.8051 ClC1=C2C(=CC=NC2=C(C=C1)Br)Br MCULE-7006809956 [0,0,0,0,0,0|4,0,0]=4 16 B14R2.8051 ClC1=CC=C(C2=C(C=CN=C12)Br)Cl MCULE-9515515793 [0,0,0,0,0,0|4,0,0]=4 17 B14R2.8051 ClC1=CC=NC2=C(C=CC(=C12)Cl)Br MCULE-8243483386 [0,0,0,0,0,0|4,0,0]=4 18 B14R2.8051 ClC1=CC=NC2=C(C=CC(=C12)Cl)Cl MCULE-2559852253 [0,0,0,0,0,0|4,0,0]=4 19 B14R2.8051 ClC1=CN=CC2=C(C=CC(=C12)Br)Br MCULE-2075330139 [0,0,0,0,0,0|4,0,0]=4 20 B14R2.8051 ClC1=NC=C(C2=C(C=CC=C12)Cl)Br MCULE-5215723902 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.8051 ClC1=NC=C(C2=CC=CC(=C12)Cl)Br MCULE-4641566874 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.8051 FC1=C2C(=CC=C1)C(=CN=C2Cl)Br MCULE-7891549024 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.8051 FC1=C2C(=CC=NC2=C(C=C1)Br)Br MCULE-7550316632 [0,0,0,0,0,0|4,0,0]=4 24 B14R2.8051 FC1=C2C(=CC=NC2=C(C=C1)Br)Cl MCULE-8140906112 [0,0,0,0,0,0|4,0,0]=4 25 B14R2.8051 FC1=C2C(=CN=C(C2=CC=C1)Cl)Br MCULE-6720431159 [0,0,0,0,0,0|4,0,0]=4 26 B14R2.8051 FC1=C2C=CN=C(C2=C(C=C1)Br)Cl MCULE-1760233232 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.8051 FC1=C2N=CC=C(C2=C(C=C1)F)Br MCULE-1691563271 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.8051 FC1=C2N=CC=C(C2=C(C=C1)F)Cl MCULE-4158917066 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.8051 FC1=CC=C(C2=C(C=CN=C12)Cl)Br MCULE-5835553334 [0,0,0,0,0,0|4,0,0]=4 30 B14R2.8051 FC1=CC=C(C2=C1C(=NC=C2)Cl)Br MCULE-7262614560 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.8051 FC1=CC=C(C2=NC=CC(=C12)Cl)Cl MCULE-2025678986 [0,0,0,0,0,0|4,0,0]=4 32 B14R2.8051 NC1=C2C(=O)C=CC(=O)C2=CC=C1 MCULE-2736064858 [0,0,0,0,0,0|1,0,2]=3 33 B14R2.8051 NC1=C2C=CN=C(C2=C(C=C1)F)Cl MCULE-7211749534 [0,0,0,0,0,0|4,0,0]=4 34 B14R2.8051 NC1=CC=CC2=C1C(=CN=C2Cl)F MCULE-9944499918 [0,0,0,0,0,0|4,0,0]=4 35 B14R2.8051 NC1=NC=CC2=C(C=CC(=C12)Br)F MCULE-8187834989 [0,0,0,0,0,0|4,0,0]=4 36 B14R2.8051 NC1=NC=CC2=C1C(=CC=C2Br)F MCULE-2465717746 [0,0,0,0,0,0|4,0,0]=4 37 B14R2.8051 O=C1C=CC(=O)C2=C1C=CC=C2O MCULE-5238429657 [0,0,0,0,0,0|0,0,2]=2 38 B14R2.8051 O=C1C=CNC2=C1C(=CC=C2Cl)Cl MCULE-6559631871 [0,0,0,0,0,0|3,0,1]=4 39 B14R2.8051 O=C1C=CNC2=C1C(=CC=C2Cl)F MCULE-4880219668 [0,0,0,0,0,0|3,0,1]=4 40 B14R2.8051 O=C1CC[C@@H](C2=CC=CC(=C12)O)O MCULE-2153328988 [0,0,0,0,0,0|0,0,4]=4 41 B14R2.8051 O=C1CC[C@H](C2=C1C(=CC=C2)O)O MCULE-9311900001 [0,0,0,0,0,0|0,0,4]=4 42 B14R2.8051 O=C1NC=C(C2=C(C=CC=C12)Cl)Br MCULE-7013109698 [0,0,0,0,0,0|3,0,1]=4 43 B14R2.8051 O=C1NC=C(C2=C(C=CC=C12)F)Br MCULE-2215266596 [0,0,0,0,0,0|3,0,1]=4 44 B14R2.8051 O=C1NC=C(C2=CC=CC(=C12)Cl)Br MCULE-5635196780 [0,0,0,0,0,0|3,0,1]=4 45 B14R2.8051 O=C1NC=C(C2=CC=CC(=C12)F)Br MCULE-8922234798 [0,0,0,0,0,0|3,0,1]=4 46 B14R2.8051 O=C1NC=CC2=C1C(=CC=C2Br)F MCULE-9001920724 [0,0,0,0,0,0|3,0,1]=4 47 B14R2.8051 O=C1NC=CC2=C1C(=CC=C2F)Br MCULE-1668147323 [0,0,0,0,0,0|3,0,1]=4 48 B14R2.8051 OC1=C2C(=CC=C(C2=NC=C1)F)Br MCULE-1471159747 [0,0,0,0,0,0|3,0,0]=3 49 B14R2.8051 OC1=CC=CC2=C1C(=CC=C2Cl)Cl MCULE-4830503795 [0,0,0,0,0,0|2,0,0]=2 50 B14R2.8051 OC1=CC=NC2=C(C=CC(=C12)Cl)Br MCULE-2359885354 [0,0,0,0,0,0|3,0,0]=3 51 B14R2.8051 OC1=CC=NC2=C(C=CC(=C12)F)Br MCULE-9975060664 [0,0,0,0,0,0|3,0,0]=3 52 B14R2.8051 OC1=CC=NC2=C(C=CC(=C12)F)F MCULE-1126709428 [0,0,0,0,0,0|3,0,0]=3 53 B14R2.8051 OC1=NC=CC2=C(C=CC(=C12)F)F MCULE-6470661615 [0,0,0,0,0,0|3,0,0]=3 54 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br MCULE-9343956443 [1,0,0,0,0,0|2,0,0]=3 55 B13R2.342 BrC1=CC=CC2=C1C=CC=C2I MCULE-3176900332 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.342 BrC1=CC=NC2=C1C=CC=C2Br MCULE-1010694352 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.342 BrC1=NC=CC2=C(C=CC=C12)Br MCULE-5560685448 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.342 CC1=C2C=CC=C(C2=CC=N1)N MCULE-4038655737 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.342 CC1=C2C=CC=C(C2=NC=C1)Cl MCULE-4959398143 [1,0,0,0,0,0|3,0,0]=4 60 B13R2.342 CC1=C2C=CC=C(C2=NC=C1)O MCULE-6596247904 [1,0,0,0,0,0|2,0,0]=3 61 B13R2.342 CC1=C2C=CC=C(C2=NC=C1)O MCULE-9849989965 [1,0,0,0,0,0|2,0,0]=3 62 B13R2.342 CC1=C2C=CN=C(C2=CC=C1)Br MCULE-2868484605 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.342 CC1=C2C=CNC(=O)C2=CC=C1 MCULE-7664657772 [1,0,0,0,0,0|2,0,1]=4 64 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)Br MCULE-9267921409 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N MCULE-9957914551 [1,0,0,0,0,0|3,0,0]=4 66 B13R2.342 CC1=C2N=CC=C(C2=NC=C1)O MCULE-1490285960 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.342 CC1=C2OC=CC(=O)C2=CC=C1 MCULE-8971367841 [1,0,0,0,0,0|2,0,1]=4 68 B13R2.342 CC1=CC=CC2=C(C=CC=C12)C MCULE-5875168245 [1,0,0,0,0,0|2,0,0]=3 69 B13R2.342 CC1=CC=CC2=C(C=CC=C12)N MCULE-3395540277 [1,0,0,0,0,0|2,0,0]=3 70 B13R2.342 CC1=CC=CC2=C(C=CC=C12)N MCULE-4285746569 [1,0,0,0,0,0|2,0,0]=3 71 B13R2.342 CC1=CC=CC2=C(C=NC=C12)Br MCULE-7655357831 [1,0,0,0,0,0|3,0,0]=4 72 B13R2.342 CC1=CC=CC2=C1C=CC=C2Br MCULE-1868202493 [1,0,0,0,0,0|2,0,0]=3 73 B13R2.342 CC1=CC=CC2=C1C=CN=C2C MCULE-2698221691 [1,0,0,0,0,0|3,0,0]=4 74 B13R2.342 CC1=CC=CC2=C1C=CN=C2Cl MCULE-5610535565 [1,0,0,0,0,0|3,0,0]=4 75 B13R2.342 CC1=CC=CC2=C1C=NC=C2Cl MCULE-6238938304 [1,0,0,0,0,0|3,0,0]=4 76 B13R2.342 CC1=CC=CC2=C1N=CC=C2Cl MCULE-2650703961 [1,0,0,0,0,0|3,0,0]=4 77 B13R2.342 CC1=CC=CC2=C1N=CC=C2O MCULE-4360066711 [1,0,0,0,0,0|2,0,0]=3 78 B13R2.342 CC1=CC=NC2=C(C=CC=C12)Br MCULE-1801259611 [1,0,0,0,0,0|3,0,0]=4 79 B13R2.342 CC1=CC=NC2=C(C=CC=C12)N MCULE-2290391542 [1,0,0,0,0,0|3,0,0]=4 80 B13R2.342 CC1=CC=NC2=C1C=CC=C2F MCULE-7403172629 [1,0,0,0,0,0|3,0,0]=4 81 B13R2.342 CC1=CN=CC2=C(C=CC=C12)Br MCULE-7934627033 [1,0,0,0,0,0|3,0,0]=4 82 B13R2.342 CC1=NC=CC2=C(C=CC=C12)O MCULE-9334123175 [1,0,0,0,0,0|2,0,0]=3 83 B13R2.342 CC1=NC=CC2=C1C=CC=C2Br MCULE-6080336735 [1,0,0,0,0,0|3,0,0]=4 84 B13R2.342 C[N+]1=C2C=CC=C(C2=CC=C1)N MCULE-7651642485 [1,0,0,0,0,0|3,0,0]=4 85 B13R2.342 C[N+]1=C2C=CC=C(C2=CC=C1)N MCULE-9632310381 [1,0,0,0,0,0|3,0,0]=4 86 B13R2.342 ClC1=C2C=CC=C(C2=CC=C1)Br MCULE-2472028133 [1,0,0,0,0,0|2,0,0]=3 87 B13R2.342 ClC1=C2C=CC=C(C2=NC=C1)Br MCULE-8711773998 [1,0,0,0,0,0|3,0,0]=4 88 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br MCULE-8098944614 [1,0,0,0,0,0|3,0,0]=4 89 B13R2.342 ClC1=CC=CC2=C(N=CC=C12)Br MCULE-6958838587 [1,0,0,0,0,0|3,0,0]=4 90 B13R2.342 ClC1=CC=CC2=C1C=CC=C2Cl MCULE-1824985150 [1,0,0,0,0,0|2,0,0]=3 91 B13R2.342 ClC1=CC=CC2=C1C=NC=C2Br MCULE-3210897145 [1,0,0,0,0,0|3,0,0]=4 92 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Cl MCULE-4263726386 [1,0,0,0,0,0|3,0,0]=4 93 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)I MCULE-2988180125 [1,0,0,0,0,0|3,0,0]=4 94 B13R2.342 ClC1=NC=CC2=C(C=CC=C12)Br MCULE-2304981918 [1,0,0,0,0,0|3,0,0]=4 95 B13R2.342 ClC1=NC=CC2=C(C=CC=C12)Cl MCULE-7043947863 [1,0,0,0,0,0|3,0,0]=4 96 B13R2.342 ClC1=NC=CC2=C1C=CC=C2I MCULE-8622799068 [1,0,0,0,0,0|3,0,0]=4 97 B13R2.342 FC1=C2C=CC=C(C2=CC=C1)Br MCULE-1737214248 [1,0,0,0,0,0|2,0,0]=3 98 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br MCULE-4200926683 [1,0,0,0,0,0|3,0,0]=4 99 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Cl MCULE-8441122323 [1,0,0,0,0,0|3,0,0]=4 100 B13R2.342 FC1=CC=CC2=C1C=CN=C2Cl MCULE-6957997089 [1,0,0,0,0,0|3,0,0]=4 101 B13R2.342 FC1=CC=CC2=C1C=NC=C2Br MCULE-1671214213 [1,0,0,0,0,0|3,0,0]=4 102 B13R2.342 FC1=CC=NC2=C(C=CC=C12)Br MCULE-8475643552 [1,0,0,0,0,0|3,0,0]=4 103 B13R2.342 IC1=CC=CC2=C(C=CC=C12)I MCULE-6713761951 [1,0,0,0,0,0|2,0,0]=3 104 B13R2.342 NC1=C2C=CC=C(C2=CC=C1)F MCULE-2593137038 [1,0,0,0,0,0|2,0,0]=3 105 B13R2.342 NC1=C2C=CC=C(C2=CC=C1)O MCULE-6903246242 [1,0,0,0,0,0|1,0,0]=2 106 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br MCULE-3273954617 [1,0,0,0,0,0|3,0,0]=4 107 B13R2.342 NC1=C2C=CN=C(C2=CC=C1)Cl MCULE-9007228679 [1,0,0,0,0,0|3,0,0]=4 108 B13R2.342 NC1=C2C=CNC(=O)C2=CC=C1 MCULE-4315419217 [1,0,0,0,0,0|2,0,1]=4 109 B13R2.342 NC1=C2C=CNC(=O)C2=CC=C1 MCULE-9996696935 [1,0,0,0,0,0|2,0,1]=4 110 B13R2.342 NC1=C2N=CC=C(C2=CC=C1)Br MCULE-7280821816 [1,0,0,0,0,0|3,0,0]=4 111 B13R2.342 NC1=C2N=CC=C(C2=CC=C1)F MCULE-9800843607 [1,0,0,0,0,0|3,0,0]=4 112 B13R2.342 NC1=C2NC=CC(=O)C2=CC=C1 MCULE-3203351097 [1,0,0,0,0,0|2,0,1]=4 113 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Cl MCULE-1483416364 [1,0,0,0,0,0|2,0,0]=3 114 B13R2.342 NC1=CC=CC2=C(C=CC=C12)I MCULE-2155306650 [1,0,0,0,0,0|2,0,0]=3 115 B13R2.342 NC1=CC=CC2=C(C=CC=C12)N MCULE-9893538941 [1,0,0,0,0,0|2,0,0]=3 116 B13R2.342 NC1=CC=CC2=C1C=CC=C2Br MCULE-3018509412 [1,0,0,0,0,0|2,0,0]=3 117 B13R2.342 NC1=CC=CC2=C1C=CC=C2O MCULE-8125358518 [1,0,0,0,0,0|1,0,0]=2 118 B13R2.342 NC1=CC=CC2=C1C=CN=C2I MCULE-2360366461 [1,0,0,0,0,0|3,0,0]=4 119 B13R2.342 NC1=CC=CC2=C1C=COC2=O MCULE-2114072447 [1,0,0,0,0,0|2,0,1]=4 120 B13R2.342 NC1=CC=CC2=C1C=NC=C2Br MCULE-4810185059 [1,0,0,0,0,0|3,0,0]=4 121 B13R2.342 NC1=CC=CC2=C1C=NC=C2Cl MCULE-9402939550 [1,0,0,0,0,0|3,0,0]=4 122 B13R2.342 NC1=CC=CC2=C1C=NC=C2F MCULE-7796077006 [1,0,0,0,0,0|3,0,0]=4 123 B13R2.342 NC1=CC=CC2=C1N=CC=C2Cl MCULE-2560228244 [1,0,0,0,0,0|3,0,0]=4 124 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl MCULE-3860386655 [1,0,0,0,0,0|3,0,0]=4 125 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F MCULE-5971598326 [1,0,0,0,0,0|3,0,0]=4 126 B13R2.342 NC1=CC=NC2=C(C=CC=C12)I MCULE-6857955565 [1,0,0,0,0,0|3,0,0]=4 127 B13R2.342 NC1=CN=CC2=C1C=CC=C2Cl MCULE-6373286613 [1,0,0,0,0,0|3,0,0]=4 128 B13R2.342 NC1=CN=CC2=C1C=CC=C2F MCULE-5449941725 [1,0,0,0,0,0|3,0,0]=4 129 B13R2.342 NC1=NC=CC2=C(C=CC=C12)Br MCULE-5728623882 [1,0,0,0,0,0|3,0,0]=4 130 B13R2.342 O=C1C=CN=C2N1C=CC=C2O MCULE-9386889190 [1,0,0,0,0,0|2,0,1]=4 131 B13R2.342 O=C1C=CNC2=C(C=CC=C12)Br MCULE-9236055075 [1,0,0,0,0,0|2,0,1]=4 132 B13R2.342 O=C1C=CNC2=C(C=CC=C12)Cl MCULE-4013824635 [1,0,0,0,0,0|2,0,1]=4 133 B13R2.342 O=C1C=CNC2=C(C=CC=C12)I MCULE-1754937085 [1,0,0,0,0,0|2,0,1]=4 134 B13R2.342 O=C1C=CNC2=C1C=CC=C2O MCULE-1030725827 [1,0,0,0,0,0|1,0,1]=3 135 B13R2.342 O=C1C=COC2=C(C=CC=C12)Br MCULE-9014034471 [1,0,0,0,0,0|2,0,1]=4 136 B13R2.342 O=C1C=COC2=C(C=CC=C12)Cl MCULE-3434296112 [1,0,0,0,0,0|2,0,1]=4 137 B13R2.342 O=C1NC=CC2=C1C=CC=C2Br MCULE-2507275214 [1,0,0,0,0,0|2,0,1]=4 138 B13R2.342 O=C1NC=CC2=C1C=CC=C2Cl MCULE-4486272165 [1,0,0,0,0,0|2,0,1]=4 139 B13R2.342 O=C1NC=CC2=C1C=CC=C2F MCULE-9764976528 [1,0,0,0,0,0|2,0,1]=4 140 B13R2.342 O=C1OC=CC2=C1C=CC=C2Br MCULE-2971291083 [1,0,0,0,0,0|2,0,1]=4 141 B13R2.342 OC1=C2C=CC=C(C2=CC=C1)Br MCULE-2384150795 [1,0,0,0,0,0|1,0,0]=2 142 B13R2.342 OC1=C2C=CC=C(C2=NC=N1)I MCULE-7616093198 [1,0,0,0,0,0|3,0,0]=4 143 B13R2.342 OC1=C2C=CN=C(C2=CC=C1)Cl MCULE-4550702408 [1,0,0,0,0,0|2,0,0]=3 144 B13R2.342 OC1=C2N=CC=C(C2=CC=C1)Br MCULE-8689477905 [1,0,0,0,0,0|2,0,0]=3 145 B13R2.342 OC1=CC=CC2=C(C=CC=C12)Cl MCULE-8104470870 [1,0,0,0,0,0|1,0,0]=2 146 B13R2.342 OC1=CC=CC2=C(C=CC=C12)F MCULE-7842507989 [1,0,0,0,0,0|1,0,0]=2 147 B13R2.342 OC1=CC=CC2=C(C=CC=C12)I MCULE-3549048075 [1,0,0,0,0,0|1,0,0]=2 148 B13R2.342 OC1=CC=CC2=C(C=CC=C12)O MCULE-6728404220 [1,0,0,0,0,0|0,0,0]=1 149 B13R2.342 OC1=CC=CC2=C1C=NC=C2Br MCULE-9322333392 [1,0,0,0,0,0|2,0,0]=3 150 B13R2.342 OC1=CC=CC2=C1N=CC=C2Cl MCULE-2463409048 [1,0,0,0,0,0|2,0,0]=3 151 B13R2.342 OC1=CC=CC2=C1N=CC=C2Cl MCULE-9522220117 [1,0,0,0,0,0|2,0,0]=3 152 B13R2.342 OC1=CC=NC2=C(C=CC=C12)F MCULE-9181632138 [1,0,0,0,0,0|2,0,0]=3 153 B13R2.342 OC1=CC=NC2=C(C=CN=C12)O MCULE-5309403740 [1,0,0,0,0,0|2,0,0]=3 154 B13R2.342 OC1=CN=CC2=C1C=CC=C2Br MCULE-3085831577 [1,0,0,0,0,0|2,0,0]=3 155 B13R2.342 OC1=NC=CC2=C(C=CC=C12)O MCULE-5823570385 [1,0,0,0,0,0|1,0,0]=2 156 B13R2.342 SC1=CC=CC2=C(C=CC=C12)S MCULE-3438749960 [1,0,0,0,0,0|0,2,0]=3 157 B13R2.371 BrC1=C2C=CC=NC2=C(C=C1)Br MCULE-7032588771 [1,0,0,0,0,0|3,0,0]=4 158 B13R2.371 BrC1=C2C=CC=NC2=C(C=C1)I MCULE-3472057395 [1,0,0,0,0,0|3,0,0]=4 159 B13R2.371 BrC1=C2C=CN=CC2=C(C=C1)Br MCULE-9534040922 [1,0,0,0,0,0|3,0,0]=4 160 B13R2.371 BrC1=CC=C(C2=C1C=CC=C2)I MCULE-2469915749 [1,0,0,0,0,0|2,0,0]=3 161 B13R2.371 BrC1=CC=C(C2=CC=CC=C12)Br MCULE-1642806030 [1,0,0,0,0,0|2,0,0]=3 162 B13R2.371 BrC1=CN=C(C2=C1C=CC=C2)Br MCULE-7803435901 [1,0,0,0,0,0|3,0,0]=4 163 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)C MCULE-6803319223 [1,0,0,0,0,0|2,0,0]=3 164 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)Cl MCULE-4624124582 [1,0,0,0,0,0|2,0,0]=3 165 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)F MCULE-3744329666 [1,0,0,0,0,0|2,0,0]=3 166 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O MCULE-5463792412 [1,0,0,0,0,0|1,0,0]=2 167 B13R2.371 CC1=C2C=CC=CC2=[N+](C=C1)[O-] MCULE-4847352943 [1,0,0,0,0,0|2,0,1]=4 168 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br MCULE-3478348878 [1,0,0,0,0,0|3,0,0]=4 169 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Cl MCULE-8646663217 [1,0,0,0,0,0|3,0,0]=4 170 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)F MCULE-6224148100 [1,0,0,0,0,0|3,0,0]=4 171 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)N MCULE-6714808631 [1,0,0,0,0,0|3,0,0]=4 172 B13R2.371 CC1=C2C=CN=CC2=C(C=C1)Br MCULE-5417408921 [1,0,0,0,0,0|3,0,0]=4 173 B13R2.371 CC1=C2C=CN=CC2=C(C=C1)F MCULE-8174313952 [1,0,0,0,0,0|3,0,0]=4 174 B13R2.371 CC1=C2C=NC=CC2=C(C=C1)F MCULE-8326974940 [1,0,0,0,0,0|3,0,0]=4 175 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)Br MCULE-9155773528 [1,0,0,0,0,0|3,0,0]=4 176 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)F MCULE-3622982233 [1,0,0,0,0,0|3,0,0]=4 177 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)F MCULE-8873675141 [1,0,0,0,0,0|3,0,0]=4 178 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)I MCULE-2588114941 [1,0,0,0,0,0|3,0,0]=4 179 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)N MCULE-8675618725 [1,0,0,0,0,0|3,0,0]=4 180 B13R2.371 CC1=CC=C(C2=C1C=CC=C2)Br MCULE-7546621930 [1,0,0,0,0,0|2,0,0]=3 181 B13R2.371 CC1=CC=C(C2=CC=CC=C12)N MCULE-4823763656 [1,0,0,0,0,0|2,0,0]=3 182 B13R2.371 CC1=CC=C(C2=CC=CN=C12)Cl MCULE-5859248043 [1,0,0,0,0,0|3,0,0]=4 183 B13R2.371 CC1=CC=C(C2=NC=CC=C12)O MCULE-1998544820 [1,0,0,0,0,0|2,0,0]=3 184 B13R2.371 CC1=CN=C(C2=C1C=CC=C2)Br MCULE-8583834962 [1,0,0,0,0,0|3,0,0]=4 185 B13R2.371 CC1=CN=C(C2=C1C=CC=C2)Cl MCULE-9863343138 [1,0,0,0,0,0|3,0,0]=4 186 B13R2.371 CC1=NC=C(C2=C1C=CC=C2)Br MCULE-1747413767 [1,0,0,0,0,0|3,0,0]=4 187 B13R2.371 CC1=NC=C(C2=C1C=CC=C2)N MCULE-4421403025 [1,0,0,0,0,0|3,0,0]=4 188 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 MCULE-1089632359 [1,0,0,0,0,0|2,0,1]=4 189 B13R2.371 C[N+]1=C2C=CC=CC2=C(C=C1)N MCULE-2625187231 [1,0,0,0,0,0|3,0,0]=4 190 B13R2.371 C[N+]1=C2C=CC=CC2=C(C=C1)N MCULE-9904216793 [1,0,0,0,0,0|3,0,0]=4 191 B13R2.371 C[N+]1=CC=C(C2=CC=CC=C12)N MCULE-4788576148 [1,0,0,0,0,0|3,0,0]=4 192 B13R2.371 ClC1=C2C=CC=CC2=C(C=C1)Br MCULE-6209917946 [1,0,0,0,0,0|2,0,0]=3 193 B13R2.371 ClC1=C2C=CC=CC2=C(C=C1)Cl MCULE-3398571062 [1,0,0,0,0,0|2,0,0]=3 194 B13R2.371 ClC1=C2C=CC=CC2=C(C=N1)Br MCULE-3573291068 [1,0,0,0,0,0|3,0,0]=4 195 B13R2.371 ClC1=C2C=CC=NC2=C(C=C1)Cl MCULE-9260582499 [1,0,0,0,0,0|3,0,0]=4 196 B13R2.371 ClC1=C2C=CC=NC2=C(C=C1)I MCULE-8688557079 [1,0,0,0,0,0|3,0,0]=4 197 B13R2.371 ClC1=C2N=CC=CC2=C(C=C1)Br MCULE-2285414118 [1,0,0,0,0,0|3,0,0]=4 198 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I MCULE-8405708671 [1,0,0,0,0,0|2,0,0]=3 199 B13R2.371 ClC1=CC=C(C2=C1C=NC=C2)Br MCULE-2978662818 [1,0,0,0,0,0|3,0,0]=4 200 B13R2.371 ClC1=CC=C(C2=CN=CC=C12)Br MCULE-7591563144 [1,0,0,0,0,0|3,0,0]=4 201 B13R2.371 ClC1=CC=C(C2=CN=CC=C12)Cl MCULE-3552339633 [1,0,0,0,0,0|3,0,0]=4 202 B13R2.371 ClC1=CC=C(C2=NC=CC=C12)Br MCULE-4944066203 [1,0,0,0,0,0|3,0,0]=4 203 B13R2.371 ClC1=CN=C(C2=C1C=CC=C2)Br MCULE-4170628549 [1,0,0,0,0,0|3,0,0]=4 204 B13R2.371 ClC1=CN=C(C2=CC=CC=C12)Cl MCULE-1772337261 [1,0,0,0,0,0|3,0,0]=4 205 B13R2.371 ClC1=NC=C(C2=C1C=CC=C2)I MCULE-3556085740 [1,0,0,0,0,0|3,0,0]=4 206 B13R2.371 FC1=C2C=CC=CC2=C(C=C1)Cl MCULE-3479880865 [1,0,0,0,0,0|2,0,0]=3 207 B13R2.371 FC1=C2C=CC=NC2=C(C=C1)Br MCULE-4165570376 [1,0,0,0,0,0|3,0,0]=4 208 B13R2.371 FC1=C2C=CC=NC2=C(C=C1)Cl MCULE-9605755885 [1,0,0,0,0,0|3,0,0]=4 209 B13R2.371 FC1=C2C=CC=NC2=C(C=C1)F MCULE-1783572273 [1,0,0,0,0,0|3,0,0]=4 210 B13R2.371 FC1=C2C=CN=CC2=C(C=C1)Br MCULE-5668589918 [1,0,0,0,0,0|3,0,0]=4 211 B13R2.371 FC1=C2C=NC=CC2=C(C=C1)Br MCULE-3009510899 [1,0,0,0,0,0|3,0,0]=4 212 B13R2.371 FC1=C2N=CC=CC2=C(C=C1)Cl MCULE-2666794262 [1,0,0,0,0,0|3,0,0]=4 213 B13R2.371 FC1=CC=C(C2=C1N=CC=C2)Br MCULE-5328797502 [1,0,0,0,0,0|3,0,0]=4 214 B13R2.371 FC1=CC=C(C2=CC=CC=C12)Br MCULE-7602410120 [1,0,0,0,0,0|2,0,0]=3 215 B13R2.371 FC1=CC=C(C2=CC=CC=C12)I MCULE-8042049142 [1,0,0,0,0,0|2,0,0]=3 216 B13R2.371 FC1=CC=C(C2=CC=CC=C12)S MCULE-1619712176 [1,0,0,0,0,0|1,1,0]=3 217 B13R2.371 FC1=CN=C(C2=C1C=CC=C2)Br MCULE-4878455476 [1,0,0,0,0,0|3,0,0]=4 218 B13R2.371 FC1=CN=C(C2=C1C=CC=C2)Cl MCULE-8012183585 [1,0,0,0,0,0|3,0,0]=4 219 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)F MCULE-2980538504 [1,0,0,0,0,0|2,0,0]=3 220 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)F MCULE-5099832971 [1,0,0,0,0,0|2,0,0]=3 221 B13R2.371 NC1=C2C=CC=CC2=C(C=N1)Cl MCULE-1481121090 [1,0,0,0,0,0|3,0,0]=4 222 B13R2.371 NC1=C2C=CC=CC2=C(C=N1)I MCULE-5318614323 [1,0,0,0,0,0|3,0,0]=4 223 B13R2.371 NC1=C2C=CC=CC2=C(N=C1)N MCULE-3358243616 [1,0,0,0,0,0|3,0,0]=4 224 B13R2.371 NC1=C2C=CC=CC2=C(N=C1)N MCULE-5755536120 [1,0,0,0,0,0|3,0,0]=4 225 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)Br MCULE-7537272359 [1,0,0,0,0,0|3,0,0]=4 226 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)Cl MCULE-3597733450 [1,0,0,0,0,0|3,0,0]=4 227 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)F MCULE-8736241036 [1,0,0,0,0,0|3,0,0]=4 228 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)O MCULE-7585667439 [1,0,0,0,0,0|2,0,0]=3 229 B13R2.371 NC1=C2C=CN=CC2=C(C=C1)N MCULE-6893777269 [1,0,0,0,0,0|3,0,0]=4 230 B13R2.371 NC1=C2C=NC=CC2=C(C=C1)Br MCULE-1323978527 [1,0,0,0,0,0|3,0,0]=4 231 B13R2.371 NC1=C2C=NC=CC2=C(C=C1)Cl MCULE-8006317117 [1,0,0,0,0,0|3,0,0]=4 232 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)Br MCULE-7896031492 [1,0,0,0,0,0|3,0,0]=4 233 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)Cl MCULE-6860754822 [1,0,0,0,0,0|3,0,0]=4 234 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)F MCULE-3689055766 [1,0,0,0,0,0|3,0,0]=4 235 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)I MCULE-6501492416 [1,0,0,0,0,0|3,0,0]=4 236 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)O MCULE-1711277180 [1,0,0,0,0,0|2,0,0]=3 237 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)O MCULE-5922680434 [1,0,0,0,0,0|2,0,0]=3 238 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)Br MCULE-9640851580 [1,0,0,0,0,0|2,0,0]=3 239 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)Cl MCULE-9160177256 [1,0,0,0,0,0|2,0,0]=3 240 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O MCULE-6516485438 [1,0,0,0,0,0|1,0,0]=2 241 B13R2.371 NC1=CC=C(C2=C1C=CC=N2)O MCULE-6291447142 [1,0,0,0,0,0|2,0,0]=3 242 B13R2.371 NC1=CC=C(C2=C1C=CC=N2)O MCULE-6557944103 [1,0,0,0,0,0|2,0,0]=3 243 B13R2.371 NC1=CC=C(C2=C1C=CC=N2)O MCULE-8256885056 [1,0,0,0,0,0|2,0,0]=3 244 B13R2.371 NC1=CC=C(C2=C1C=CN=C2)Br MCULE-1817666468 [1,0,0,0,0,0|3,0,0]=4 245 B13R2.371 NC1=CC=C(C2=C1C=CN=C2)Cl MCULE-4834134762 [1,0,0,0,0,0|3,0,0]=4 246 B13R2.371 NC1=CC=C(C2=C1C=CN=C2)F MCULE-2671150988 [1,0,0,0,0,0|3,0,0]=4 247 B13R2.371 NC1=CC=C(C2=C1C=CN=C2)N MCULE-5210315143 [1,0,0,0,0,0|3,0,0]=4 248 B13R2.371 NC1=CC=C(C2=C1N=CC=C2)F MCULE-2829374622 [1,0,0,0,0,0|3,0,0]=4 249 B13R2.371 NC1=CC=C(C2=CC=CC=C12)N MCULE-2998034626 [1,0,0,0,0,0|2,0,0]=3 250 B13R2.371 NC1=CC=C(C2=CC=CC=C12)N MCULE-6550730089 [1,0,0,0,0,0|2,0,0]=3 251 B13R2.371 NC1=CC=C(C2=CC=CN=C12)Br MCULE-2070393998 [1,0,0,0,0,0|3,0,0]=4 252 B13R2.371 NC1=CC=C(C2=CC=CN=C12)Br MCULE-5212011869 [1,0,0,0,0,0|3,0,0]=4 253 B13R2.371 NC1=CC=C(C2=NC=CC=C12)N MCULE-9971104989 [1,0,0,0,0,0|3,0,0]=4 254 B13R2.371 NC1=CN=C(C2=C1C=CC=C2)Cl MCULE-7705287379 [1,0,0,0,0,0|3,0,0]=4 255 B13R2.371 NC1=CN=C(C2=CC=CC=C12)Br MCULE-4005551602 [1,0,0,0,0,0|3,0,0]=4 256 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 MCULE-9213395952 [1,0,0,0,0,0|2,0,1]=4 257 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 MCULE-9887883955 [1,0,0,0,0,0|2,0,1]=4 258 B13R2.371 NC1=NC=C(C2=CC=CC=C12)Br MCULE-5460839885 [1,0,0,0,0,0|3,0,0]=4 259 B13R2.371 NC1=NN=C(C2=CC=CC=C12)O MCULE-5393037288 [1,0,0,0,0,0|3,0,0]=4 260 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=N2 MCULE-3047877971 [1,0,0,0,0,0|1,0,2]=4 261 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 MCULE-4996549760 [1,0,0,0,0,0|0,0,2]=3 262 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)I MCULE-4212966004 [1,0,0,0,0,0|2,0,1]=4 263 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O MCULE-7115915922 [1,0,0,0,0,0|1,0,1]=3 264 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br MCULE-7288601299 [1,0,0,0,0,0|2,0,1]=4 265 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl MCULE-8639360849 [1,0,0,0,0,0|1,0,0]=2 266 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)I MCULE-6760298511 [1,0,0,0,0,0|1,0,0]=2 267 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O MCULE-1542999250 [1,0,0,0,0,0|0,0,0]=1 268 B13R2.371 OC1=C2C=CC=CC2=C(C=N1)Cl MCULE-2430109340 [1,0,0,0,0,0|2,0,0]=3 269 B13R2.371 OC1=C2C=CC=CC2=C(N=C1)Br MCULE-4010538805 [1,0,0,0,0,0|2,0,0]=3 270 B13R2.371 OC1=C2C=CC=NC2=C(C=C1)Br MCULE-9845949798 [1,0,0,0,0,0|2,0,0]=3 271 B13R2.371 OC1=C2C=CC=NC2=C(C=C1)Cl MCULE-5078799907 [1,0,0,0,0,0|2,0,0]=3 272 B13R2.371 OC1=C2C=CC=NC2=C(C=C1)Cl MCULE-9593530854 [1,0,0,0,0,0|2,0,0]=3 273 B13R2.371 OC1=C2C=CN=CC2=C(C=C1)Cl MCULE-6220447608 [1,0,0,0,0,0|2,0,0]=3 274 B13R2.371 OC1=C2C=CN=CC2=C(C=C1)F MCULE-9558570525 [1,0,0,0,0,0|2,0,0]=3 275 B13R2.371 OC1=C2C=CN=CC2=C(C=N1)Br MCULE-2598647065 [1,0,0,0,0,0|3,0,0]=4 276 B13R2.371 OC1=C2C=NC=CC2=C(C=C1)F MCULE-7777637871 [1,0,0,0,0,0|2,0,0]=3 277 B13R2.371 OC1=C2N=CC=CC2=C(C=C1)F MCULE-3526187253 [1,0,0,0,0,0|2,0,0]=3 278 B13R2.371 OC1=C2N=CC=CC2=C(C=C1)I MCULE-1483677037 [1,0,0,0,0,0|2,0,0]=3 279 B13R2.371 OC1=CC=C(C2=C1C=CC=C2)F MCULE-7246061255 [1,0,0,0,0,0|1,0,0]=2 280 B13R2.371 OC1=CC=C(C2=C1C=NC=C2)Br MCULE-1830183056 [1,0,0,0,0,0|2,0,0]=3 281 B13R2.371 OC1=CC=C(C2=C1N=CC=C2)F MCULE-4943747618 [1,0,0,0,0,0|2,0,0]=3 282 B13R2.371 OC1=CC=C(C2=CC=CC=C12)Br MCULE-8557972747 [1,0,0,0,0,0|1,0,0]=2 283 B13R2.371 OC1=CC=C(C2=CC=CN=C12)Br MCULE-8348547756 [1,0,0,0,0,0|2,0,0]=3 284 B13R2.371 OC1=CC=C(C2=CC=CN=C12)Cl MCULE-2202432462 [1,0,0,0,0,0|2,0,0]=3 285 B13R2.371 OC1=CN=C(C2=C1C=CC=C2)Cl MCULE-5099975879 [1,0,0,0,0,0|2,0,0]=3 286 B13R2.371 OC1=CN=C(C2=C1C=CN=C2)Cl MCULE-7036047896 [1,0,0,0,0,0|3,0,0]=4 287 B13R2.371 OC1=CN=C(C2=C1C=NC=C2)Cl MCULE-6390167940 [1,0,0,0,0,0|3,0,0]=4 288 B13R2.371 OC1=CN=C(C2=C1N=CC=C2)Cl MCULE-3912883165 [1,0,0,0,0,0|3,0,0]=4 289 B13R2.371 OC1=NC=C(C2=C1C=CC=C2)F MCULE-4922383066 [1,0,0,0,0,0|2,0,0]=3 290 B13R2.371 OC1=NC=C(C2=CC=CN=C12)Br MCULE-7569811153 [1,0,0,0,0,0|3,0,0]=4 291 B13R2.371 OC1=NC=C(C2=CC=CN=C12)Cl MCULE-1971614393 [1,0,0,0,0,0|3,0,0]=4 292 B13R2.371 OC1=NN=C(C2=C1C=CC=C2)O MCULE-2682724274 [1,0,0,0,0,0|2,0,0]=3 293 B13R2.371 OC1=NN=C(C2=NC=CC=C12)O MCULE-4307690750 [1,0,0,0,0,0|3,0,0]=4 294 B13R2.371 [NH3+]C1=CC=C(C2=CC=CC=C12)O MCULE-4867278574 [1,0,0,0,0,0|1,0,0]=2 295 B13R2.371 [O-][N+]1=C2C=CC=CC2=C(C=C1)Br MCULE-1668620138 [1,0,0,0,0,0|2,0,1]=4 296 B13R2.371 [O-][N+]1=C2C=CC=CC2=C(C=C1)Cl MCULE-1352652949 [1,0,0,0,0,0|2,0,1]=4 297 B13R2.4818 BrC1=C2C(=CC=CC2=CC=C1)I MCULE-2311494937 [1,0,0,0,0,0|2,0,0]=3 298 B13R2.4818 BrC1=CC=CC2=CC=CC(=C12)Br MCULE-6381029819 [1,0,0,0,0,0|2,0,0]=3 299 B13R2.4818 BrC1=NC=CC2=CC=CC(=C12)Br MCULE-7441660336 [1,0,0,0,0,0|3,0,0]=4 300 B13R2.4818 CC1=C2C(=CC=C1)C=CN=C2Cl MCULE-4851300067 [1,0,0,0,0,0|3,0,0]=4 301 B13R2.4818 CC1=C2C(=CC=C1)N=CN=C2O MCULE-8091243627 [1,0,0,0,0,0|3,0,0]=4 302 B13R2.4818 CC1=C2C(=CC=CC2=CC=N1)Br MCULE-6395205388 [1,0,0,0,0,0|3,0,0]=4 303 B13R2.4818 CC1=C2C(=CC=CC2=CC=N1)F MCULE-6770648112 [1,0,0,0,0,0|3,0,0]=4 304 B13R2.4818 CC1=C2C(=CC=CC2=CC=N1)O MCULE-2251882702 [1,0,0,0,0,0|2,0,0]=3 305 B13R2.4818 CC1=C2C(=CC=NC2=CC=C1)Cl MCULE-2931374920 [1,0,0,0,0,0|3,0,0]=4 306 B13R2.4818 CC1=CC=CC2=C1C(=CC=C2)Br MCULE-4478871834 [1,0,0,0,0,0|2,0,0]=3 307 B13R2.4818 CC1=CC=CC2=C1C(=CC=C2)C MCULE-9837210102 [1,0,0,0,0,0|2,0,0]=3 308 B13R2.4818 CC1=CC=CC2=CC=CC(=C12)N MCULE-4331309095 [1,0,0,0,0,0|2,0,0]=3 309 B13R2.4818 CC1=CC=CC2=CC=C[N+](=C12)[O-] MCULE-2709722108 [1,0,0,0,0,0|2,0,1]=4 310 B13R2.4818 CC1=CC=CC2=CN=CC(=C12)Br MCULE-1939307792 [1,0,0,0,0,0|3,0,0]=4 311 B13R2.4818 CC1=CC=CC2=NC=CC(=C12)O MCULE-2507850127 [1,0,0,0,0,0|2,0,0]=3 312 B13R2.4818 CC1=CC=CC2=[N+]1C(=CC=C2)Cl MCULE-7127464275 [1,0,0,0,0,0|3,0,0]=4 313 B13R2.4818 CC1=CC=CC2=[N+]1C(=CC=C2)Cl MCULE-9433628095 [1,0,0,0,0,0|3,0,0]=4 314 B13R2.4818 CC1=CC=NC2=C1C(=CC=C2)Br MCULE-2933621393 [1,0,0,0,0,0|3,0,0]=4 315 B13R2.4818 CC1=CC=NC2=C1C(=CC=C2)Cl MCULE-4962429057 [1,0,0,0,0,0|3,0,0]=4 316 B13R2.4818 CC1=CC=NC2=C1C(=CC=C2)N MCULE-2609651989 [1,0,0,0,0,0|3,0,0]=4 317 B13R2.4818 CC1=CN=CC2=C1C(=CC=C2)Br MCULE-7886794586 [1,0,0,0,0,0|3,0,0]=4 318 B13R2.4818 CC1=CN=CC2=C1C(=CC=C2)N MCULE-1155183073 [1,0,0,0,0,0|3,0,0]=4 319 B13R2.4818 CC1=NC=CC2=C1C(=CC=C2)N MCULE-7359659395 [1,0,0,0,0,0|3,0,0]=4 320 B13R2.4818 C[N+]1=CC=CC2=C1C(=CC=C2)[O-] MCULE-9365938161 [1,0,0,0,0,0|2,0,1]=4 321 B13R2.4818 ClC1=C2C(=CC=CC2=CC=C1)Br MCULE-1758602966 [1,0,0,0,0,0|2,0,0]=3 322 B13R2.4818 ClC1=C2C(=CC=CC2=CC=C1)I MCULE-7325177284 [1,0,0,0,0,0|2,0,0]=3 323 B13R2.4818 ClC1=CC=CC2=C1C(=CC=N2)Cl MCULE-7208896192 [1,0,0,0,0,0|3,0,0]=4 324 B13R2.4818 ClC1=CC=CC2=C1C(=CN=C2)Br MCULE-5148140590 [1,0,0,0,0,0|3,0,0]=4 325 B13R2.4818 ClC1=CC=CC2=C1C(=NC=C2)Br MCULE-4762360923 [1,0,0,0,0,0|3,0,0]=4 326 B13R2.4818 ClC1=CC=CC2=CC=CC(=C12)Cl MCULE-1592457290 [1,0,0,0,0,0|2,0,0]=3 327 B13R2.4818 ClC1=CC=NC2=C1C(=CC=C2)Br MCULE-8880588225 [1,0,0,0,0,0|3,0,0]=4 328 B13R2.4818 ClC1=CN=CC2=C1C(=CC=C2)Br MCULE-3345765869 [1,0,0,0,0,0|3,0,0]=4 329 B13R2.4818 ClC1=NC=CC2=C1C(=CC=C2)Br MCULE-5464146821 [1,0,0,0,0,0|3,0,0]=4 330 B13R2.4818 ClC1=NC=CC2=CC=CC(=C12)Cl MCULE-4681639753 [1,0,0,0,0,0|3,0,0]=4 331 B13R2.4818 ClC1=NC=CC2=CC=CC(=C12)I MCULE-6033567563 [1,0,0,0,0,0|3,0,0]=4 332 B13R2.4818 FC1=C2C(=CC=C1)C=CN=C2Br MCULE-4778002314 [1,0,0,0,0,0|3,0,0]=4 333 B13R2.4818 FC1=C2C(=CC=NC2=CC=C1)Br MCULE-9597642584 [1,0,0,0,0,0|3,0,0]=4 334 B13R2.4818 FC1=C2C(=CC=NC2=CC=C1)Cl MCULE-9307129060 [1,0,0,0,0,0|3,0,0]=4 335 B13R2.4818 FC1=CC=CC2=C1C(=CC=C2)Br MCULE-8568837523 [1,0,0,0,0,0|2,0,0]=3 336 B13R2.4818 FC1=CC=CC2=C1C(=NC=C2)Cl MCULE-6790686894 [1,0,0,0,0,0|3,0,0]=4 337 B13R2.4818 FC1=CC=CC2=CN=CC(=C12)Br MCULE-4019653700 [1,0,0,0,0,0|3,0,0]=4 338 B13R2.4818 FC1=CN=CC2=C1C(=CC=C2)Br MCULE-6156726861 [1,0,0,0,0,0|3,0,0]=4 339 B13R2.4818 IC1=CC=CC2=CC=CC(=C12)I MCULE-2083500540 [1,0,0,0,0,0|2,0,0]=3 340 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)Br MCULE-9738811032 [1,0,0,0,0,0|2,0,0]=3 341 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)Cl MCULE-2247036515 [1,0,0,0,0,0|2,0,0]=3 342 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)F MCULE-4102567345 [1,0,0,0,0,0|2,0,0]=3 343 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O MCULE-3009269644 [1,0,0,0,0,0|1,0,0]=2 344 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O MCULE-5420365950 [1,0,0,0,0,0|1,0,0]=2 345 B13R2.4818 NC1=C2C(=CC=CC2=CN=C1)Cl MCULE-4895046342 [1,0,0,0,0,0|3,0,0]=4 346 B13R2.4818 NC1=C2C(=CC=NC2=CC=C1)Cl MCULE-5789450485 [1,0,0,0,0,0|3,0,0]=4 347 B13R2.4818 NC1=C2C(=CC=NC2=CC=C1)F MCULE-7588027387 [1,0,0,0,0,0|3,0,0]=4 348 B13R2.4818 NC1=C2C(=O)NC=CC2=CC=C1 MCULE-5549744189 [1,0,0,0,0,0|2,0,1]=4 349 B13R2.4818 NC1=CC=CC2=C1C(=CN=C2)Br MCULE-9048811308 [1,0,0,0,0,0|3,0,0]=4 350 B13R2.4818 NC1=CC=CC2=C1C(=CN=C2)Cl MCULE-2001278717 [1,0,0,0,0,0|3,0,0]=4 351 B13R2.4818 NC1=CC=CC2=C1C(=CN=C2)F MCULE-1493144397 [1,0,0,0,0,0|3,0,0]=4 352 B13R2.4818 NC1=CC=CC2=CC=CC(=C12)I MCULE-2626060395 [1,0,0,0,0,0|2,0,0]=3 353 B13R2.4818 NC1=CC=CC2=CC=CC(=C12)N MCULE-9636183854 [1,0,0,0,0,0|2,0,0]=3 354 B13R2.4818 NC1=CC=CC2=CC=NC(=C12)Cl MCULE-3788474508 [1,0,0,0,0,0|3,0,0]=4 355 B13R2.4818 NC1=CC=NC2=CC=CC(=C12)Br MCULE-6324520828 [1,0,0,0,0,0|3,0,0]=4 356 B13R2.4818 NC1=CC=NC2=CC=CC(=C12)Cl MCULE-2892241745 [1,0,0,0,0,0|3,0,0]=4 357 B13R2.4818 NC1=CC=NC2=CC=CC(=C12)Cl MCULE-6526650053 [1,0,0,0,0,0|3,0,0]=4 358 B13R2.4818 NC1=CC=NC2=CC=CC(=C12)F MCULE-7581952139 [1,0,0,0,0,0|3,0,0]=4 359 B13R2.4818 NC1=NC=CC2=C1C(=CC=C2)Br MCULE-1635877397 [1,0,0,0,0,0|3,0,0]=4 360 B13R2.4818 NC1=NC=CC2=C1C(=CC=C2)F MCULE-9318182672 [1,0,0,0,0,0|3,0,0]=4 361 B13R2.4818 O=C1C=CNC2=C1C(=CC=C2)F MCULE-4341533120 [1,0,0,0,0,0|2,0,1]=4 362 B13R2.4818 O=C1C=COC2=CC=CC(=C12)O MCULE-7945518616 [1,0,0,0,0,0|1,0,1]=3 363 B13R2.4818 O=C1NC=CC2=C1C(=CC=C2)Cl MCULE-2648477103 [1,0,0,0,0,0|2,0,1]=4 364 B13R2.4818 O=C1NC=CC2=C1C(=CC=C2)F MCULE-4996381669 [1,0,0,0,0,0|2,0,1]=4 365 B13R2.4818 O=C1NC=CC2=C1C(=CC=C2)O MCULE-3024203087 [1,0,0,0,0,0|1,0,1]=3 366 B13R2.4818 OC1=C2C(=CC=CC2=CC=C1)Br MCULE-9904361952 [1,0,0,0,0,0|1,0,0]=2 367 B13R2.4818 OC1=C2C(=CC=CC2=CC=C1)F MCULE-4301648977 [1,0,0,0,0,0|1,0,0]=2 368 B13R2.4818 OC1=C2C(=CC=CC2=NN=C1)Cl MCULE-2076402094 [1,0,0,0,0,0|3,0,0]=4 369 B13R2.4818 OC1=CC=CC2=C1C(=CN=C2)Br MCULE-9771862916 [1,0,0,0,0,0|2,0,0]=3 370 B13R2.4818 OC1=CC=CC2=C1C(=CN=C2)Cl MCULE-9052847939 [1,0,0,0,0,0|2,0,0]=3 371 B13R2.4818 OC1=CC=CC2=CC=CC(=C12)Cl MCULE-9276880954 [1,0,0,0,0,0|1,0,0]=2 372 B13R2.4818 OC1=CC=CC2=CC=CC(=C12)O MCULE-4692087887 [1,0,0,0,0,0|0,0,0]=1 373 B13R2.4818 OC1=CC=CC2=CC=NC(=C12)Cl MCULE-4213864940 [1,0,0,0,0,0|2,0,0]=3 374 B13R2.4818 OC1=CC=NC2=CC=CC(=C12)Br MCULE-7400507133 [1,0,0,0,0,0|2,0,0]=3 375 B13R2.4818 OC1=CC=NC2=CC=CC(=C12)Cl MCULE-6591945927 [1,0,0,0,0,0|2,0,0]=3 376 B13R2.4818 OC1=CC=NC2=CC=CC(=C12)O MCULE-6125204094 [1,0,0,0,0,0|1,0,0]=2 377 B13R2.4818 OC1=NC=CC2=CC=CC(=C12)Br MCULE-3224372844 [1,0,0,0,0,0|2,0,0]=3 378 B13R2.4818 OC1=NC=NC2=CC=CC(=C12)Br MCULE-6753018007 [1,0,0,0,0,0|3,0,0]=4 379 B13R2.4818 [O-][N+]1=CC=CC2=CC=CC(=C12)O MCULE-6458723024 [1,0,0,0,0,0|1,0,1]=3 380 B15R2.13626 CC1=CC(=O)C2=C(C=CC=C2C1=O)C MCULE-8927502465 [0,1,0,0,0,0|1,0,2]=4 381 B15R2.13626 CC1=CC(=O)C2=C(C=CC=C2C1=O)O MCULE-9327502882 [0,1,0,0,0,0|0,0,2]=3 382 B15R2.13626 NC1=C2C=CC=C(C2=C(C=C1Br)Br)F MCULE-4429677530 [0,1,0,0,0,0|3,0,0]=4 383 B15R2.13626 O=C1C=C(C(=O)C2=C1C(=CC=C2)O)O MCULE-7808967879 [0,1,0,0,0,0|0,0,2]=3 384 B15R2.13627 CC1=CC(=C2C=CC=[N+](C2=C1O)[O-])C MCULE-9757893581 [0,1,0,0,0,0|2,0,1]=4 385 B15R2.13627 O=C1C=C(C(=O)C2=C(C=CC=C12)O)Br MCULE-1464405441 [0,1,0,0,0,0|0,0,2]=3 386 B15R2.13627 O=C1C=C(C(=O)C2=C1C=CC=C2O)Cl MCULE-8194851493 [0,1,0,0,0,0|0,0,2]=3 387 B15R2.13627 O=C1C=C(C(=O)C2=C1C=CC=C2O)O MCULE-4692972225 [0,1,0,0,0,0|0,0,2]=3 388 B15R2.13627 OC1=C2C(=NC=C1)C(=CC(=C2F)Br)F MCULE-6256360243 [0,1,0,0,0,0|3,0,0]=4 389 B15R2.13627 OC1=CC=NC2=C(C=C(C(=C12)Cl)Cl)Cl MCULE-6029583494 [0,1,0,0,0,0|3,0,0]=4 390 B15R2.14648 CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O MCULE-8920650452 [0,1,0,0,0,0|0,0,2]=3 391 B15R2.14648 CC1=NC2=C(C=CC(=C2C(=C1)O)C)C MCULE-3008653651 [0,1,0,0,0,0|3,0,0]=4 392 B15R2.14648 CC1=NC2=C(C=CC(=C2C(=C1)O)Cl)C MCULE-9124536104 [0,1,0,0,0,0|3,0,0]=4 393 B15R2.14648 CC1=NC2=C(C=CC(=C2C(=C1)O)N)Cl MCULE-4901795147 [0,1,0,0,0,0|3,0,0]=4 394 B15R2.14648 OC1=CC(=NC2=C(C=CC(=C12)Br)Cl)O MCULE-6857582957 [0,1,0,0,0,0|3,0,0]=4 395 B15R2.14648 OC1=NC=C(C2=CC(=CC(=C12)F)Cl)Br MCULE-5739157629 [0,1,0,0,0,0|3,0,0]=4 396 B15R2.14648 OC1=NC=C(C2=CC(=CC(=C12)F)F)Br MCULE-6957022240 [0,1,0,0,0,0|3,0,0]=4 397 B15R2.14650 BrC1=CC=C(C2=C(C=CC(=C12)Br)Br)Br MCULE-5730941587 [0,1,0,0,0,0|3,0,0]=4 398 B15R2.14650 O=C1C=CC(=O)C2=C1C(=CC=C2Cl)Cl MCULE-2930503301 [0,1,0,0,0,0|1,0,2]=4 399 B15R2.14650 O=C1C=CC(=O)C2=C1C(=CC=C2O)O MCULE-5449007416 [0,1,0,0,0,0|0,0,1]=2 400 B15R2.14650 O=C1C=CC(=O)C2C1C(=CC=C2O)O MCULE-5067579651 [0,1,0,0,0,0|0,0,3]=4 401 B15R2.14650 O=C1CCC(=O)C2=C(C=CC(=C12)O)O MCULE-8216200508 [0,1,0,0,0,0|0,0,3]=4 402 B15R2.14786 CC1=C2N=CC(=C(C2=C(C=C1)Br)O)I MCULE-1364411478 [0,1,0,0,0,0|3,0,0]=4 403 B15R2.14786 OC1=C(C=NC2=C(C=CC(=C12)Cl)Br)I MCULE-5505190923 [0,1,0,0,0,0|3,0,0]=4 404 B15R2.20944 COC1=C2C(=CC=C1)C(=CN=C2Cl)Br MCULE-7484008405 [0,1,0,0,0,0|3,0,0]=4 405 B15R2.20944 COC1=C2C(=CC=C1)C(=O)C=CN2C MCULE-5435310360 [0,1,0,0,0,0|2,0,1]=4 406 B15R2.20944 COC1=C2C(=CN=C(C2=CC=C1)Cl)Br MCULE-1228571140 [0,1,0,0,0,0|3,0,0]=4 407 B15R2.20944 COC1=C2C(=CNC(=O)C2=CC=C1)Br MCULE-8175855530 [0,1,0,0,0,0|2,0,1]=4 408 B15R2.20944 COC1=C2C(=O)NC=C(C2=CC=C1)Br MCULE-3285740638 [0,1,0,0,0,0|2,0,1]=4 409 B15R2.20944 COC1=CC=CC2=C(C=CC(=C12)O)Br MCULE-4397092313 [0,1,0,0,0,0|1,0,0]=2 410 B15R2.20944 COC1=CC=CC2=C1C(=O)C=CC2=O MCULE-3075732993 [0,1,0,0,0,0|0,0,2]=3 411 B15R2.22238 COC1=C2N=CC=C(C2=C(C=C1)C)Br MCULE-4656879960 [0,1,0,0,0,0|3,0,0]=4 412 B15R2.22238 COC1=C2N=CC=C(C2=C(C=C1)C)Cl MCULE-6870012486 [0,1,0,0,0,0|3,0,0]=4 413 B15R2.22238 COC1=C2N=CC=C(C2=C(C=C1)C)O MCULE-4259199593 [0,1,0,0,0,0|2,0,0]=3 414 B15R2.22238 N#CC1=CC=C(C2=C(C=CC=C12)N)N MCULE-2375370235 [0,1,0,0,0,0|3,0,0]=4 415 B15R2.89220 COC1=C2C(=CC=NC2=C(C=C1)Br)Br MCULE-2603348687 [0,1,0,0,0,0|3,0,0]=4 416 B15R2.89220 COC1=C2C(=CC=NC2=C(C=C1)Cl)Cl MCULE-2641206615 [0,1,0,0,0,0|3,0,0]=4 417 B15R2.89220 COC1=CC=C(C2=C1C(=NC=C2)Cl)Br MCULE-8641070655 [0,1,0,0,0,0|3,0,0]=4 418 B15R2.89220 COC1=CC=C(C2=C1C(=O)C=CN2)Br MCULE-7869562561 [0,1,0,0,0,0|2,0,1]=4 419 B15R2.89220 COC1=CC=C(C2=NC=CC(=C12)Br)Cl MCULE-1837264460 [0,1,0,0,0,0|3,0,0]=4 420 B15R2.89220 COC1=CC=C(C2=NC=CC(=C12)O)Cl MCULE-9928112982 [0,1,0,0,0,0|2,0,0]=3 421 B13R1.295 CC1=C(C(=CC=C1)C(=O)O)C(=O)O MCULE-4941517810 [0,0,1,0,0,0|3,0,0]=4 422 B13R1.295 NC1=C(C(=CC=C1)C(=O)O)C(=O)O MCULE-1472462304 [0,0,1,0,0,0|3,0,0]=4 423 B13R1.295 NC1=CC=CC(=C1C(=O)O)C(=O)O MCULE-3815428212 [0,0,1,0,0,0|3,0,0]=4 424 B13R1.295 O=C(O)C1=C(C(=CC=C1)Br)C(=O)O MCULE-2987291944 [0,0,1,0,0,0|3,0,0]=4 425 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)Cl MCULE-9559389453 [0,0,1,0,0,0|3,0,0]=4 426 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)F MCULE-7732883800 [0,0,1,0,0,0|3,0,0]=4 427 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)I MCULE-5657824424 [0,0,1,0,0,0|3,0,0]=4 428 B13R1.295 O=C(O)C1=CC=CC(=C1C(=O)O)O MCULE-2125757137 [0,0,1,0,0,0|2,0,0]=3 429 B13R1.446 C=CC[C@@H](N)C1=CC(=CC=C1O)O MCULE-6671761204 [0,0,1,0,0,0|1,0,2]=4 430 B13R1.446 C=CC[C@@H](N)C1=CC(=CC=C1O)O MCULE-6731193913 [0,0,1,0,0,0|1,0,2]=4 431 B13R1.446 C=CC[C@H](N)C1=CC(=CC=C1O)O MCULE-1436360382 [0,0,1,0,0,0|1,0,2]=4 432 B13R1.446 C=CC[C@H](N)C1=CC(=CC=C1O)O MCULE-2716655906 [0,0,1,0,0,0|1,0,2]=4 433 B13R1.446 CC=CC(=O)C1=CC(=CC=C1O)Cl MCULE-3787255007 [0,0,1,0,0,0|1,0,2]=4 434 B13R1.656 O=CNC=CC1=CC(=CC=C1O)O MCULE-6033198302 [0,0,1,0,0,0|1,0,1]=3 435 B13R1.3340 COC1=C(C=CC(=C1C(=O)O)O)O MCULE-7644333124 [0,0,1,0,0,0|2,0,1]=4 436 B13R1.3340 O=CC1=C(C(=CC=C1O)F)C(=O)O MCULE-5638034714 [0,0,1,0,0,0|3,0,0]=4 437 B15R3.10159 BrC1=CC=C2CCC3=C2C1=CC=C3 MCULE-8776462279 [0,0,0,1,0,0|3,0,0]=4 438 B15R3.10159 NC1=C2C=CC=C3C2=C(CC3)C=C1 MCULE-4415896464 [0,0,0,1,0,0|3,0,0]=4 439 B15R3.10159 NC1=C2C=CC=C3C2=C(CC3)C=C1 MCULE-9379797009 [0,0,0,1,0,0|3,0,0]=4 440 B15R3.10159 OC1=C2C=CC=C3C2=C(CC3)C=C1 MCULE-2115639389 [0,0,0,1,0,0|2,0,0]=3 441 B15R3.10159 SC1=C2C=CC=C3C2=C(CC3)C=C1 MCULE-3504557576 [0,0,0,1,0,0|2,1,0]=4 442 B13R2.4857 CC1=CN(C2=C1C(=CC=C2)O)C MCULE-8417795745 [0,0,0,0,1,0|3,0,0]=4 443 B13R2.4857 CC1=CN(C2=C1C=CC=C2O)C MCULE-1207423433 [0,0,0,0,1,0|3,0,0]=4 444 B13R2.4857 O=C1NC(=O)C2=C(C=CC=C12)O MCULE-5147302679 [0,0,0,0,1,0|1,0,2]=4 445 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O MCULE-7655675146 [0,0,0,0,1,0|1,0,2]=4 446 B15R2.61581 IC1=CC=CC2=C(C=CC(=C1C2)I)I MCULE-8696107115 [0,0,0,0,0,1|3,0,0]=4 447 B12R1.24 C=C[C@@H](N)C1=CC=CC(=C1O)O MCULE-9025117337 [1,0,1,0,0,0|1,0,1]=4 448 B12R1.24 C=C[C@@H](N)C1=CC=CC(=C1O)O MCULE-9141559288 [1,0,1,0,0,0|1,0,1]=4 449 B12R1.24 C=C[C@H](N)C1=CC=CC(=C1O)O MCULE-7838456548 [1,0,1,0,0,0|1,0,1]=4 450 B12R1.24 C=C[C@H](N)C1=CC=CC(=C1O)O MCULE-9487950218 [1,0,1,0,0,0|1,0,1]=4 451 B12R1.87 O=CC1=C(C=CC=C1O)C(=O)O MCULE-3802946118 [1,0,1,0,0,0|1,0,1]=4 452 B12R1.542 CC=CC1=C(C(=CC=C1)O)CO MCULE-1335439596 [1,0,1,0,0,0|0,0,2]=4 453 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O MCULE-4747891013 [1,0,1,0,0,0|2,0,0]=4 454 B12R1.437 C=CC1=CC=CC(=C1C(=O)O)C MCULE-6517306105 [1,0,1,0,0,0|2,0,0]=4 455 B12R1.354 C=C[C@@H](N)C1=CC(=CC=C1O)O MCULE-2668788047 [1,0,1,0,0,0|1,0,1]=4 456 B12R1.354 C=C[C@@H](N)C1=CC(=CC=C1O)O MCULE-4160425733 [1,0,1,0,0,0|1,0,1]=4 457 B12R1.354 C=C[C@H](N)C1=CC(=CC=C1O)O MCULE-5475335649 [1,0,1,0,0,0|1,0,1]=4 458 B12R1.354 C=C[C@H](N)C1=CC(=CC=C1O)O MCULE-8010102444 [1,0,1,0,0,0|1,0,1]=4 459 B12R1.374 O=C/C=C/C1=CC(=CC=C1O)Cl MCULE-3240097296 [1,0,1,0,0,0|1,0,1]=4 460 B12R1.374 O=CC=CC1=C(C=CC(=C1)Cl)O MCULE-2955098000 [1,0,1,0,0,0|1,0,1]=4 461 B12R1.1112 C=CCC1=C(C=CC=C1C=O)O MCULE-7504268106 [1,0,1,0,0,0|0,0,2]=4 462 B12R2.1081 BrC1=C2C=CC=CC2=CC=N1 MCULE-7594407454 [2,0,0,0,0,0|2,0,0]=4 463 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 MCULE-3634857703 [2,0,0,0,0,0|2,0,0]=4 464 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 MCULE-1921156269 [2,0,0,0,0,0|2,0,0]=4 465 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 MCULE-2516772346 [2,0,0,0,0,0|2,0,0]=4 466 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 MCULE-5900159907 [2,0,0,0,0,0|2,0,0]=4 467 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 MCULE-6093241519 [2,0,0,0,0,0|2,0,0]=4 468 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 MCULE-7710033025 [2,0,0,0,0,0|2,0,0]=4 469 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 MCULE-4894507272 [2,0,0,0,0,0|2,0,0]=4 470 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 MCULE-9034269601 [2,0,0,0,0,0|2,0,0]=4 471 B12R2.1081 BrC1=CC=CC2=C1C=NC=C2 MCULE-3585937340 [2,0,0,0,0,0|2,0,0]=4 472 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 MCULE-2189465084 [2,0,0,0,0,0|1,0,0]=3 473 B12R2.1081 BrC1=CC=NC2=C1C=CC=C2 MCULE-8296255136 [2,0,0,0,0,0|2,0,0]=4 474 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 MCULE-4027275839 [2,0,0,0,0,0|1,0,0]=3 475 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 MCULE-8999201921 [2,0,0,0,0,0|2,0,0]=4 476 B12R2.1081 CC1=C2C=CN=CC2=CC=C1 MCULE-9648619803 [2,0,0,0,0,0|2,0,0]=4 477 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 MCULE-2076501632 [2,0,0,0,0,0|2,0,0]=4 478 B12R2.1081 CC1=CC=CC2=CC=CN=C12 MCULE-9995233136 [2,0,0,0,0,0|2,0,0]=4 479 B12R2.1081 CC1=CC=CC2=NC=CC=C12 MCULE-9662782751 [2,0,0,0,0,0|2,0,0]=4 480 B12R2.1081 CC1=CN=CC2=C1C=CC=C2 MCULE-4247721327 [2,0,0,0,0,0|2,0,0]=4 481 B12R2.1081 CC1=NC=CC2=C1C=CC=C2 MCULE-3280072818 [2,0,0,0,0,0|2,0,0]=4 482 B12R2.1081 C[N+]1=C2C=CC=CC2=CC=C1 MCULE-9149290140 [2,0,0,0,0,0|2,0,0]=4 483 B12R2.1081 C[N+]1=CC=CC2=CC=CC=C12 MCULE-1787303735 [2,0,0,0,0,0|2,0,0]=4 484 B12R2.1081 C[N+]1=CC=CC2=CC=CC=C12 MCULE-5245866007 [2,0,0,0,0,0|2,0,0]=4 485 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 MCULE-1375856711 [2,0,0,0,0,0|1,0,0]=3 486 B12R2.1081 ClC1=C2C=CC=CC2=CN=C1 MCULE-1077893393 [2,0,0,0,0,0|2,0,0]=4 487 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 MCULE-3732949783 [2,0,0,0,0,0|2,0,0]=4 488 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 MCULE-6106794123 [2,0,0,0,0,0|2,0,0]=4 489 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 MCULE-3372203091 [2,0,0,0,0,0|2,0,0]=4 490 B12R2.1081 ClC1=CC=CC2=C1C=CN=C2 MCULE-8316774544 [2,0,0,0,0,0|2,0,0]=4 491 B12R2.1081 ClC1=CC=CC2=NC=CC=C12 MCULE-8500256838 [2,0,0,0,0,0|2,0,0]=4 492 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 MCULE-5866836026 [2,0,0,0,0,0|2,0,0]=4 493 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 MCULE-4446051125 [2,0,0,0,0,0|1,0,0]=3 494 B12R2.1081 FC1=C2C=CC=CC2=NC=C1 MCULE-8871242593 [2,0,0,0,0,0|2,0,0]=4 495 B12R2.1081 FC1=C2C=NC=CC2=CC=C1 MCULE-6601467485 [2,0,0,0,0,0|2,0,0]=4 496 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 MCULE-4906797023 [2,0,0,0,0,0|2,0,0]=4 497 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 MCULE-7096954555 [2,0,0,0,0,0|2,0,0]=4 498 B12R2.1081 FC1=CC=CC2=C1C=CN=C2 MCULE-1598070116 [2,0,0,0,0,0|2,0,0]=4 499 B12R2.1081 FC1=CC=CC2=NC=CC=C12 MCULE-7022319559 [2,0,0,0,0,0|2,0,0]=4 500 B12R2.1081 FC1=CC=NC2=C1C=CC=C2 MCULE-4415172198 [2,0,0,0,0,0|2,0,0]=4 501 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 MCULE-1246335125 [2,0,0,0,0,0|2,0,0]=4 502 B12R2.1081 FC1=CN=CC2=C1C=CC=C2 MCULE-8510913933 [2,0,0,0,0,0|2,0,0]=4 503 B12R2.1081 FC1=NC=CC2=C1C=CC=C2 MCULE-9330504678 [2,0,0,0,0,0|2,0,0]=4 504 B12R2.1081 IC1=C2C=CC=CC2=CC=C1 MCULE-9568006537 [2,0,0,0,0,0|1,0,0]=3 505 B12R2.1081 IC1=C2C=CC=CC2=CC=N1 MCULE-8185454529 [2,0,0,0,0,0|2,0,0]=4 506 B12R2.1081 IC1=C2C=CC=CC2=CN=C1 MCULE-1129687966 [2,0,0,0,0,0|2,0,0]=4 507 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 MCULE-9650490930 [2,0,0,0,0,0|2,0,0]=4 508 B12R2.1081 IC1=C2N=CC=CC2=CC=C1 MCULE-1196038442 [2,0,0,0,0,0|2,0,0]=4 509 B12R2.1081 IC1=CC=CC2=C1C=CN=C2 MCULE-6865041219 [2,0,0,0,0,0|2,0,0]=4 510 B12R2.1081 IC1=CC=CC2=C1C=NC=C2 MCULE-5861440565 [2,0,0,0,0,0|2,0,0]=4 511 B12R2.1081 IC1=CC=NC2=CC=CC=C12 MCULE-4304943764 [2,0,0,0,0,0|2,0,0]=4 512 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 MCULE-7865630715 [2,0,0,0,0,0|1,0,0]=3 513 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 MCULE-8686083679 [2,0,0,0,0,0|1,0,0]=3 514 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 MCULE-7774052224 [2,0,0,0,0,0|2,0,0]=4 515 B12R2.1081 NC1=C2C=CC=CC2=CN=C1 MCULE-9842095851 [2,0,0,0,0,0|2,0,0]=4 516 B12R2.1081 NC1=C2C=CC=CC2=NC=C1 MCULE-6951792742 [2,0,0,0,0,0|2,0,0]=4 517 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 MCULE-6052288159 [2,0,0,0,0,0|2,0,0]=4 518 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 MCULE-3485758539 [2,0,0,0,0,0|2,0,0]=4 519 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 MCULE-5954479022 [2,0,0,0,0,0|2,0,0]=4 520 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 MCULE-1908348310 [2,0,0,0,0,0|2,0,0]=4 521 B12R2.1081 NC1=CC=CC2=C1C=NC=C2 MCULE-4240090604 [2,0,0,0,0,0|2,0,0]=4 522 B12R2.1081 NC1=CC=CC2=CC=CN=C12 MCULE-9280410958 [2,0,0,0,0,0|2,0,0]=4 523 B12R2.1081 NC1=CC=CC2=CN=CC=C12 MCULE-1224339058 [2,0,0,0,0,0|2,0,0]=4 524 B12R2.1081 NC1=CC=NC2=C1C=CC=C2 MCULE-5842152230 [2,0,0,0,0,0|2,0,0]=4 525 B12R2.1081 NC1=NC=CC2=CC=CC=C12 MCULE-5885784985 [2,0,0,0,0,0|2,0,0]=4 526 B12R2.1081 O=C1C=CC=C2C1=CC=CN2 MCULE-6198374570 [2,0,0,0,0,0|1,0,1]=4 527 B12R2.1081 O=C1C=CNC2=CC=CC=C12 MCULE-2146022175 [2,0,0,0,0,0|1,0,1]=4 528 B12R2.1081 O=C1C=COC2=C1C=CC=C2 MCULE-8366757644 [2,0,0,0,0,0|1,0,1]=4 529 B12R2.1081 O=C1C=C[Se]C2=C1C=CC=C2 MCULE-3534992694 [2,0,0,0,0,0|1,0,1]=4 530 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 MCULE-2736945449 [2,0,0,0,0,0|0,0,2]=4 531 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 MCULE-2157646477 [2,0,0,0,0,0|1,0,1]=4 532 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 MCULE-7136669271 [2,0,0,0,0,0|1,0,1]=4 533 B12R2.1081 O=N1=CC=CC2=CC=CC=C12 MCULE-2162812936 [2,0,0,0,0,0|1,0,1]=4 534 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 MCULE-2825050946 [2,0,0,0,0,0|0,0,0]=2 535 B12R2.1081 OC1=C2C=CC=CN2CC=C1 MCULE-1782449958 [2,0,0,0,0,0|1,0,1]=4 536 B12R2.1081 OC1=C2C=CC=CN2CC=C1 MCULE-8586523826 [2,0,0,0,0,0|1,0,1]=4 537 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 MCULE-4644183125 [2,0,0,0,0,0|1,0,0]=3 538 B12R2.1081 OC1=C2C=CC=NC2=NC=C1 MCULE-2812673081 [2,0,0,0,0,0|2,0,0]=4 539 B12R2.1081 OC1=C2C=CN=CC2=CC=C1 MCULE-8624924478 [2,0,0,0,0,0|1,0,0]=3 540 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 MCULE-1104407664 [2,0,0,0,0,0|1,0,0]=3 541 B12R2.1081 OC1=C2C=NC=CC2=NC=C1 MCULE-1353815883 [2,0,0,0,0,0|2,0,0]=4 542 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MCULE-7753869266 [2,0,0,0,0,0|1,0,0]=3 543 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MCULE-8402192130 [2,0,0,0,0,0|1,0,0]=3 544 B12R2.1081 OC1=C2N=CC=CC2=CC=N1 MCULE-3274345525 [2,0,0,0,0,0|2,0,0]=4 545 B12R2.1081 OC1=C2N=CC=CC2=CN=C1 MCULE-5326984164 [2,0,0,0,0,0|2,0,0]=4 546 B12R2.1081 OC1=C2N=CC=CC2=NC=C1 MCULE-2224952437 [2,0,0,0,0,0|2,0,0]=4 547 B12R2.1081 OC1=C2N=CC=NC2=CC=C1 MCULE-3375359808 [2,0,0,0,0,0|2,0,0]=4 548 B12R2.1081 OC1=C2N=CN=CC2=CC=C1 MCULE-2901953918 [2,0,0,0,0,0|2,0,0]=4 549 B12R2.1081 OC1=CC=CC2=C1C=NN=C2 MCULE-9248747455 [2,0,0,0,0,0|2,0,0]=4 550 B12R2.1081 OC1=CC=CC2=C1CC=CC2 MCULE-3817584393 [2,0,0,0,0,0|0,0,2]=4 551 B12R2.1081 OC1=CC=CC2=C1N=NC=C2 MCULE-9856738544 [2,0,0,0,0,0|2,0,0]=4 552 B12R2.1081 OC1=CC=CC2=CC=CN=C12 MCULE-3480638283 [2,0,0,0,0,0|1,0,0]=3 553 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 MCULE-5668414329 [2,0,0,0,0,0|1,0,0]=3 554 B12R2.1081 OC1=CN=CC2=CC=CC=C12 MCULE-2707392219 [2,0,0,0,0,0|1,0,0]=3 555 B12R2.1081 OC1=CNNC2=CC=CC=C12 MCULE-4794409702 [2,0,0,0,0,0|2,0,0]=4 556 B12R2.1081 OC1=CNNC2=CC=CC=C12 MCULE-6383134902 [2,0,0,0,0,0|2,0,0]=4 557 B12R2.1081 S=C1C=CNC2=C1C=CC=C2 MCULE-3956206062 [2,0,0,0,0,0|1,1,0]=4 558 B12R2.1081 SC1=CC=CC2=C1C=CC=C2 MCULE-8437414448 [2,0,0,0,0,0|0,1,0]=3 559 B12R2.1081 SC1=CC=CC2=C1N=CC=C2 MCULE-2496141606 [2,0,0,0,0,0|1,1,0]=4 560 B12R2.1081 SC1=NC=CC2=CC=CC=C12 MCULE-2465517886 [2,0,0,0,0,0|1,1,0]=4 561 B12R2.1081 [NH+]1=C2C(=CC=CC2=CC=C1)O MCULE-3699419571 [2,0,0,0,0,0|1,0,0]=3 562 B12R2.1081 [O-]C1=CC=CC2=C1N=CC=C2 MCULE-6092047635 [2,0,0,0,0,0|1,0,1]=4 563 B12R2.1081 [S-]C1=C2N=CC=CC2=CC=C1 MCULE-4128301819 [2,0,0,0,0,0|1,1,0]=4 564 B12R2.1081 [S-]C1=CC=CC2=C1[NH+]=CC=C2 MCULE-9204136169 [2,0,0,0,0,0|1,1,0]=4 565 B14R1.149 CC1=CC(=CC=C1)C(=O)C=CC(=O)O MCULE-8282673433 [0,1,1,0,0,0|1,0,1]=4 566 B14R1.149 O=C(O)C=CC(=O)C1=CC(=CC=C1)F MCULE-4751177911 [0,1,1,0,0,0|1,0,1]=4 567 B14R1.149 O=C(O)C=CC(=O)C1=CC=CC(=C1)Cl MCULE-2193823880 [0,1,1,0,0,0|1,0,1]=4 568 B14R1.878 COC1=C(C(=CC=C1)C(=O)O)C(=O)O MCULE-9419567098 [0,1,1,0,0,0|2,0,0]=4 569 B14R1.6046 O=C(O)C1=C(C(=CC=C1O)O)C(=O)O MCULE-9084723627 [0,1,1,0,0,0|2,0,0]=4 570 B14R1.820 COC(=O)/C=C/C1=C(C=CC(=C1)O)O MCULE-1327640373 [0,1,1,0,0,0|2,0,0]=4 571 B14R1.820 COC(=O)/C=C\C1=C(C=CC(=C1)O)O MCULE-6860800332 [0,1,1,0,0,0|2,0,0]=4 572 B14R1.820 COC(=O)C=CC1=C(C=CC(=C1)O)O MCULE-6517390288 [0,1,1,0,0,0|2,0,0]=4 573 B14R1.160 CC1=CC=CC=C1C(=O)C=CC(=O)O MCULE-1154700170 [0,1,1,0,0,0|1,0,1]=4 574 B14R1.5136 C=CCC1=C(C=CC(=C1C(=O)C)O)O MCULE-1508809186 [0,1,1,0,0,0|0,0,2]=4 575 B14R2.1078 BrCC1=C2C=CC=C(C2=CC=C1)Br MCULE-1555192995 [1,1,0,0,0,0|2,0,0]=4 576 B14R2.1078 CC1=CC=CC2=C(C=CC=C12)C=O MCULE-1844331566 [1,1,0,0,0,0|1,0,1]=4 577 B14R2.1078 CC1=NC=CC2=C(C=CC=C12)CO MCULE-4525703519 [1,1,0,0,0,0|2,0,0]=4 578 B14R2.1078 CCC1=CC=CC2=C1N=CC=C2O MCULE-7635582815 [1,1,0,0,0,0|2,0,0]=4 579 B14R2.1078 CNC1=CC=CC2=C1C=CN=C2O MCULE-1214431340 [1,1,0,0,0,0|2,0,0]=4 580 B14R2.1078 COC1=C2C=CC=C(C2=CC=C1)O MCULE-8985815122 [1,1,0,0,0,0|0,0,0]=2 581 B14R2.1078 COC1=C2C=CC=C(C2=CC=N1)N MCULE-7465564508 [1,1,0,0,0,0|2,0,0]=4 582 B14R2.1078 COC1=C2C=CC=C(C2=NC=C1)N MCULE-7420821716 [1,1,0,0,0,0|2,0,0]=4 583 B14R2.1078 COC1=C2C=CN=C(C2=CC=C1)Br MCULE-1203880119 [1,1,0,0,0,0|2,0,0]=4 584 B14R2.1078 COC1=C2C=CN=C(C2=CC=C1)C MCULE-3895373288 [1,1,0,0,0,0|2,0,0]=4 585 B14R2.1078 COC1=C2C=CN=C(C2=CC=C1)Cl MCULE-5590983957 [1,1,0,0,0,0|2,0,0]=4 586 B14R2.1078 COC1=C2C=CN=C(C2=CC=C1)S MCULE-8994742334 [1,1,0,0,0,0|1,1,0]=4 587 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)Br MCULE-9805109092 [1,1,0,0,0,0|2,0,0]=4 588 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)C MCULE-9922328483 [1,1,0,0,0,0|2,0,0]=4 589 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)Cl MCULE-3476634094 [1,1,0,0,0,0|2,0,0]=4 590 B14R2.1078 COC1=C2N=CC=C(C2=CC=C1)N MCULE-7672819250 [1,1,0,0,0,0|2,0,0]=4 591 B14R2.1078 COC1=C2NC=CC(=O)C2=CC=C1 MCULE-8298517714 [1,1,0,0,0,0|1,0,1]=4 592 B14R2.1078 COC1=CC=CC2=C(C=CC=C12)I MCULE-6123183026 [1,1,0,0,0,0|1,0,0]=3 593 B14R2.1078 COC1=CC=CC2=C(N=CN=C12)O MCULE-6502140373 [1,1,0,0,0,0|2,0,0]=4 594 B14R2.1078 COC1=CC=CC2=C1C=CC=C2N MCULE-2240779279 [1,1,0,0,0,0|1,0,0]=3 595 B14R2.1078 COC1=CC=CC2=C1C=CNC2=O MCULE-5009949529 [1,1,0,0,0,0|1,0,1]=4 596 B14R2.1078 COC1=CC=CC2=C1C=NC=C2Br MCULE-8063626338 [1,1,0,0,0,0|2,0,0]=4 597 B14R2.1078 COC1=CC=CC2=C1C=NC=C2N MCULE-3056945750 [1,1,0,0,0,0|2,0,0]=4 598 B14R2.1078 COC1=CC=CC2=C1N=NC=C2O MCULE-2207858608 [1,1,0,0,0,0|2,0,0]=4 599 B14R2.1078 COC1=CC=CC2=C1OC=CC2=O MCULE-9347873843 [1,1,0,0,0,0|1,0,1]=4 600 B14R2.1078 COC1=CC=NC2=C(C=CC=C12)Br MCULE-1164258582 [1,1,0,0,0,0|2,0,0]=4 601 B14R2.1078 COC1=CC=NC2=C(C=CC=C12)I MCULE-3292830868 [1,1,0,0,0,0|2,0,0]=4 602 B14R2.1078 N#CC1=CC=CC2=C(C=CC=C12)Br MCULE-8194624620 [1,1,0,0,0,0|2,0,0]=4 603 B14R2.1078 N#CC1=CC=CC2=C(C=CC=C12)N MCULE-3599905476 [1,1,0,0,0,0|2,0,0]=4 604 B14R2.1078 N#CC1=CC=CC2=C(C=CC=C12)O MCULE-6369022813 [1,1,0,0,0,0|1,0,0]=3 605 B14R2.1078 N#CC1=CC=CC2=C(C=CN=C12)O MCULE-7740289421 [1,1,0,0,0,0|2,0,0]=4 606 B14R2.1078 NC1=NC=CC2=C1C=CC=C2CO MCULE-8274369136 [1,1,0,0,0,0|2,0,0]=4 607 B14R2.1078 NCC1=CC=CC2=C(C=CC=C12)Br MCULE-1060887957 [1,1,0,0,0,0|2,0,0]=4 608 B14R2.1078 NCC1=CC=CC2=C(C=CC=C12)Br MCULE-4909459716 [1,1,0,0,0,0|2,0,0]=4 609 B14R2.1078 NCC1=CC=CC2=C1C=CC=C2F MCULE-2614310608 [1,1,0,0,0,0|2,0,0]=4 610 B14R2.1078 O=CC1=C2C=CC=C(C2=CC=C1)Cl MCULE-9047340964 [1,1,0,0,0,0|1,0,1]=4 611 B14R2.1078 O=CC1=C2C=CC=C(C2=CC=C1)O MCULE-5454965295 [1,1,0,0,0,0|0,0,1]=3 612 B14R2.1078 O=CC1=CC=CC2=C(C=CC=C12)Br MCULE-5772777890 [1,1,0,0,0,0|1,0,1]=4 613 B14R2.1078 O=CC1=CC=CC2=C1C=CC=C2F MCULE-6180323889 [1,1,0,0,0,0|1,0,1]=4 614 B14R2.1078 O=CC1=CC=NC2=C(C=CC=C12)O MCULE-5839672618 [1,1,0,0,0,0|1,0,1]=4 615 B14R2.1078 OCC1=C2C=CC=C(C2=NC=C1)O MCULE-8532146942 [1,1,0,0,0,0|1,0,0]=3 616 B14R2.1078 OCC1=C2N=CC=C(C2=CC=C1)Cl MCULE-6791710900 [1,1,0,0,0,0|2,0,0]=4 617 B14R2.1078 OCC1=CC=CC2=C1C=CN=C2Cl MCULE-7898650629 [1,1,0,0,0,0|2,0,0]=4 618 B14R2.1078 OCC1=CC=NC2=C(C=CC=C12)Br MCULE-4604796663 [1,1,0,0,0,0|2,0,0]=4 619 B14R2.8038 CC1=C(C2=CC=CC(=C2C=C1)N)Br MCULE-3544578328 [1,1,0,0,0,0|2,0,0]=4 620 B14R2.8038 CC1=C(C2=CC=CC(=C2C=C1)N)O MCULE-1743865566 [1,1,0,0,0,0|1,0,0]=3 621 B14R2.8038 CC1=C(C2=CC=CC(=C2C=C1)N)O MCULE-2731391487 [1,1,0,0,0,0|1,0,0]=3 622 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Br MCULE-5739603552 [1,1,0,0,0,0|2,0,0]=4 623 B14R2.8038 CC1=C2N=CC=C(C2=CC=C1Cl)O MCULE-8978874411 [1,1,0,0,0,0|2,0,0]=4 624 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1Br)O MCULE-6673790573 [1,1,0,0,0,0|2,0,0]=4 625 B14R2.8038 CC1=CC=C2C(=CC=NC2=C1C)O MCULE-7464713033 [1,1,0,0,0,0|2,0,0]=4 626 B14R2.8038 CC1=CC=C2C(=NC=CC2=C1Br)O MCULE-1891275714 [1,1,0,0,0,0|2,0,0]=4 627 B14R2.8038 CN1C=CC2=C(C=CC=C2C1=O)O MCULE-1609552272 [1,1,0,0,0,0|1,0,1]=4 628 B14R2.8038 NC1=C2C=CC(=C(C2=CC=C1)Br)F MCULE-8456775632 [1,1,0,0,0,0|2,0,0]=4 629 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)Br)Br MCULE-6787740123 [1,1,0,0,0,0|2,0,0]=4 630 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)F)Br MCULE-5691042230 [1,1,0,0,0,0|2,0,0]=4 631 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)Cl MCULE-2057963259 [1,1,0,0,0,0|2,0,0]=4 632 B14R2.8038 OC1=C2C=CC(=C(C2=NC=C1)F)F MCULE-8555084322 [1,1,0,0,0,0|2,0,0]=4 633 B14R2.8038 OC1=C2C=CC=C(C2=NC=C1Cl)Br MCULE-8651889318 [1,1,0,0,0,0|2,0,0]=4 634 B14R2.8038 OC1=CC=NC2=C(C(=CC=C12)F)Cl MCULE-4595697591 [1,1,0,0,0,0|2,0,0]=4 635 B14R2.8038 OC1=NC=CC2=C(C(=CC=C12)F)Br MCULE-9795403363 [1,1,0,0,0,0|2,0,0]=4 636 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Br)O MCULE-9046745926 [1,1,0,0,0,0|2,0,0]=4 637 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O MCULE-7751709996 [1,1,0,0,0,0|2,0,0]=4 638 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)F)O MCULE-8029053771 [1,1,0,0,0,0|2,0,0]=4 639 B14R2.8045 CC1=C2OC(=O)C=C(C2=CC=C1)O MCULE-3918208960 [1,1,0,0,0,0|2,0,0]=4 640 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C MCULE-7188239240 [1,1,0,0,0,0|2,0,0]=4 641 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)Cl MCULE-3029966289 [1,1,0,0,0,0|2,0,0]=4 642 B14R2.8045 CC1=CC(=CC2=C(C=CC=C12)N)Cl MCULE-7253921621 [1,1,0,0,0,0|2,0,0]=4 643 B14R2.8045 CC1=CC(=CC2=C(C=CC=C12)N)Cl MCULE-9649965891 [1,1,0,0,0,0|2,0,0]=4 644 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2O)C MCULE-1169733537 [1,1,0,0,0,0|2,0,0]=4 645 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2O)C MCULE-8327999748 [1,1,0,0,0,0|2,0,0]=4 646 B14R2.8045 CC1=CC(=O)NC2=C1C=CC=C2O MCULE-7641884357 [1,1,0,0,0,0|2,0,0]=4 647 B14R2.8045 CC1=CC=CC2=C1N=C(C=C2O)C MCULE-9529483337 [1,1,0,0,0,0|2,0,0]=4 648 B14R2.8045 CC1=CC=CC2=C1NC(=O)C=C2O MCULE-3952705573 [1,1,0,0,0,0|2,0,0]=4 649 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)O MCULE-5264211347 [1,1,0,0,0,0|2,0,0]=4 650 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br MCULE-8288775659 [1,1,0,0,0,0|2,0,0]=4 651 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Cl MCULE-5006021689 [1,1,0,0,0,0|2,0,0]=4 652 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F MCULE-5189702196 [1,1,0,0,0,0|2,0,0]=4 653 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)O MCULE-6556855467 [1,1,0,0,0,0|1,0,0]=3 654 B14R2.8045 CC1=NC2=[N+](C=CC=C2O)C(=C1)O MCULE-6013528580 [1,1,0,0,0,0|2,0,0]=4 655 B14R2.8045 NC1=C2C=C(C=C(C2=CC=C1)Br)Br MCULE-3923480819 [1,1,0,0,0,0|2,0,0]=4 656 B14R2.8045 NC1=C2C=C(C=C(C2=CC=C1)Br)F MCULE-2943331367 [1,1,0,0,0,0|2,0,0]=4 657 B14R2.8045 NC1=C2C=C(C=C(C2=CC=C1)Cl)F MCULE-1443733111 [1,1,0,0,0,0|2,0,0]=4 658 B14R2.8045 O=C1C=C(C2=C(N1)C(=CC=C2)Br)O MCULE-9080343164 [1,1,0,0,0,0|2,0,0]=4 659 B14R2.8045 O=C1C=C(C2=C(N1)C(=CC=C2)F)O MCULE-6207456960 [1,1,0,0,0,0|2,0,0]=4 660 B14R2.8045 O=C1C=C(C2=C(O1)C(=CC=C2)F)O MCULE-7785834413 [1,1,0,0,0,0|2,0,0]=4 661 B14R2.8045 OC1=C2C=C(C=C(C2=NC=C1)Cl)Cl MCULE-2132410720 [1,1,0,0,0,0|2,0,0]=4 662 B14R2.8045 OC1=CC(=NC2=C(C=CC=C12)Cl)O MCULE-9252167684 [1,1,0,0,0,0|2,0,0]=4 663 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)F)Br MCULE-3285785467 [1,1,0,0,0,0|2,0,0]=4 664 B14R2.8045 OC1=CC=NC2=C(C=C(C=C12)F)F MCULE-2265379848 [1,1,0,0,0,0|2,0,0]=4 665 B14R2.1131 BrCC1=CC=C(C2=CC=CC=C12)Br MCULE-8850983639 [1,1,0,0,0,0|2,0,0]=4 666 B14R2.1131 C#CC1=C2C=CC=CC2=C(C=C1)F MCULE-6017957896 [1,1,0,0,0,0|2,0,0]=4 667 B14R2.1131 C#CC1=CC=C(C2=CC=CC=C12)Br MCULE-6927473722 [1,1,0,0,0,0|2,0,0]=4 668 B14R2.1131 CC1=C2C=CC=CC2=C(C=C1)C#N MCULE-6082384099 [1,1,0,0,0,0|2,0,0]=4 669 B14R2.1131 CC1=C2C=CC=CC2=C(C=C1)C=O MCULE-4706584692 [1,1,0,0,0,0|1,0,1]=4 670 B14R2.1131 CC1=C2C=CC=CC2=C(C=C1)CBr MCULE-8226693159 [1,1,0,0,0,0|2,0,0]=4 671 B14R2.1131 CC1=C2N=CC=CC2=C(C=C1)CO MCULE-2589285718 [1,1,0,0,0,0|2,0,0]=4 672 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CCl MCULE-7015300178 [1,1,0,0,0,0|2,0,0]=4 673 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CN MCULE-4001152021 [1,1,0,0,0,0|2,0,0]=4 674 B14R2.1131 CC1=CC=C(C2=C1C=CC=C2)CO MCULE-1501245226 [1,1,0,0,0,0|1,0,0]=3 675 B14R2.1131 CCC1=CC=C(C2=CC=CC=C12)N MCULE-6243765986 [1,1,0,0,0,0|2,0,0]=4 676 B14R2.1131 CCC1=CC=C(C2=CC=CC=C12)O MCULE-5165184016 [1,1,0,0,0,0|1,0,0]=3 677 B14R2.1131 CNC1=C2C=CC=CC2=C(C=C1)Br MCULE-4198873607 [1,1,0,0,0,0|2,0,0]=4 678 B14R2.1131 COC1=C2C=CC=CC2=C(C=C1)Cl MCULE-5726623771 [1,1,0,0,0,0|1,0,0]=3 679 B14R2.1131 COC1=C2C=CC=CC2=C(C=C1)F MCULE-7860960448 [1,1,0,0,0,0|1,0,0]=3 680 B14R2.1131 COC1=C2C=CC=CC2=C(C=C1)I MCULE-7712953790 [1,1,0,0,0,0|1,0,0]=3 681 B14R2.1131 COC1=C2C=CC=CC2=C(C=C1)O MCULE-1993445138 [1,1,0,0,0,0|0,0,0]=2 682 B14R2.1131 COC1=C2C=CC=CC2=C(C=C1)S MCULE-6746978495 [1,1,0,0,0,0|0,1,0]=3 683 B14R2.1131 COC1=C2C=CC=CC2=[N+](C=C1)[O-] MCULE-7306821239 [1,1,0,0,0,0|1,0,1]=4 684 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)Br MCULE-6840108142 [1,1,0,0,0,0|2,0,0]=4 685 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)Cl MCULE-3072213139 [1,1,0,0,0,0|2,0,0]=4 686 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)O MCULE-7592464484 [1,1,0,0,0,0|1,0,0]=3 687 B14R2.1131 COC1=C2C=CN=CC2=C(C=C1)Br MCULE-1734695882 [1,1,0,0,0,0|2,0,0]=4 688 B14R2.1131 COC1=C2C=CN=CC2=C(C=C1)N MCULE-4008303821 [1,1,0,0,0,0|2,0,0]=4 689 B14R2.1131 COC1=C2C=NC=CC2=C(C=C1)Br MCULE-6264679490 [1,1,0,0,0,0|2,0,0]=4 690 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Br MCULE-6634696245 [1,1,0,0,0,0|2,0,0]=4 691 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Br MCULE-9947388962 [1,1,0,0,0,0|2,0,0]=4 692 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)Cl MCULE-6015511585 [1,1,0,0,0,0|2,0,0]=4 693 B14R2.1131 COC1=C2N=CC=CC2=C(C=C1)F MCULE-5827198063 [1,1,0,0,0,0|2,0,0]=4 694 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)Br MCULE-6522742343 [1,1,0,0,0,0|1,0,0]=3 695 B14R2.1131 COC1=CC=C(C2=C1C=CC=C2)C MCULE-2547013888 [1,1,0,0,0,0|1,0,0]=3 696 B14R2.1131 COC1=CC=C(C2=C1C=CN=C2)Cl MCULE-5786777785 [1,1,0,0,0,0|2,0,0]=4 697 B14R2.1131 COC1=CC=C(C2=C1C=NC=C2)N MCULE-4215434171 [1,1,0,0,0,0|2,0,0]=4 698 B14R2.1131 COC1=CC=C(C2=CC=CC=C12)N MCULE-5355245253 [1,1,0,0,0,0|1,0,0]=3 699 B14R2.1131 COC1=CC=C(C2=CC=CC=C12)N MCULE-9788991699 [1,1,0,0,0,0|1,0,0]=3 700 B14R2.1131 COC1=CC=C(C2=CC=CN=C12)N MCULE-2818302383 [1,1,0,0,0,0|2,0,0]=4 701 B14R2.1131 COC1=CC=C(C2=NC=CC=C12)N MCULE-1384565904 [1,1,0,0,0,0|2,0,0]=4 702 B14R2.1131 COC1=CN=C(C2=C1C=CC=C2)Cl MCULE-3938898310 [1,1,0,0,0,0|2,0,0]=4 703 B14R2.1131 COC1=CN=C(C2=CC=CC=C12)Br MCULE-9105536500 [1,1,0,0,0,0|2,0,0]=4 704 B14R2.1131 COC1=CNC(=O)C2=CC=CC=C12 MCULE-3062977985 [1,1,0,0,0,0|1,0,1]=4 705 B14R2.1131 COC1=NC=C(C2=C1C=CC=C2)Br MCULE-3640057837 [1,1,0,0,0,0|2,0,0]=4 706 B14R2.1131 COC1=NC=C(C2=C1C=CC=C2)Cl MCULE-5557385729 [1,1,0,0,0,0|2,0,0]=4 707 B14R2.1131 ClC1=C2C=CC=CC2=C(C=C1)CBr MCULE-2574142752 [1,1,0,0,0,0|2,0,0]=4 708 B14R2.1131 ClCC1=C2C=CC=CC2=C(C=C1)Cl MCULE-5922974461 [1,1,0,0,0,0|2,0,0]=4 709 B14R2.1131 FC1=CC=C(C2=CC=CC=C12)CBr MCULE-3834296574 [1,1,0,0,0,0|2,0,0]=4 710 B14R2.1131 FC1=CC=C(C2=CC=CC=C12)CCl MCULE-2492188342 [1,1,0,0,0,0|2,0,0]=4 711 B14R2.1131 N#CC1=C2C=CC=CC2=C(C=C1)Br MCULE-8002744952 [1,1,0,0,0,0|2,0,0]=4 712 B14R2.1131 N#CC1=C2C=CC=CC2=C(C=C1)N MCULE-2033709660 [1,1,0,0,0,0|2,0,0]=4 713 B14R2.1131 N#CC1=C2C=CC=CC2=C(C=C1)O MCULE-1942609784 [1,1,0,0,0,0|1,0,0]=3 714 B14R2.1131 N#CC1=C2N=CC=CC2=C(C=C1)O MCULE-8764808566 [1,1,0,0,0,0|2,0,0]=4 715 B14R2.1131 N#CC1=CC=C(C2=C1C=CC=C2)F MCULE-3785220858 [1,1,0,0,0,0|2,0,0]=4 716 B14R2.1131 NCC1=C2C=CC=CC2=C(C=C1)Br MCULE-3372897925 [1,1,0,0,0,0|2,0,0]=4 717 B14R2.1131 NCC1=C2C=CC=CC2=C(C=C1)Br MCULE-4511413329 [1,1,0,0,0,0|2,0,0]=4 718 B14R2.1131 NCC1=C2C=CC=CC2=C(C=C1)F MCULE-2555127098 [1,1,0,0,0,0|2,0,0]=4 719 B14R2.1131 NCC1=C2C=CC=NC2=C(C=C1)O MCULE-1780592092 [1,1,0,0,0,0|2,0,0]=4 720 B14R2.1131 NCC1=C2C=CC=NC2=C(C=C1)O MCULE-8394794558 [1,1,0,0,0,0|2,0,0]=4 721 B14R2.1131 NCC1=CC=C(C2=C1C=CC=C2)F MCULE-4807335031 [1,1,0,0,0,0|2,0,0]=4 722 B14R2.1131 NNC1=C2C=CC=CC2=C(C=C1)Cl MCULE-3107004244 [1,1,0,0,0,0|2,0,0]=4 723 B14R2.1131 NNC1=C2C=CC=CC2=C(C=C1)Cl MCULE-3150910147 [1,1,0,0,0,0|2,0,0]=4 724 B14R2.1131 NNC1=CC=C(C2=CC=CC=C12)Br MCULE-2310415601 [1,1,0,0,0,0|2,0,0]=4 725 B14R2.1131 NNC1=CC=C(C2=CC=CC=C12)Br MCULE-8506688726 [1,1,0,0,0,0|2,0,0]=4 726 B14R2.1131 O=CC1=C2C=CC=CC2=C(C=C1)Br MCULE-7823966822 [1,1,0,0,0,0|1,0,1]=4 727 B14R2.1131 O=CC1=C2C=CC=CC2=C(C=C1)O MCULE-4077876402 [1,1,0,0,0,0|0,0,1]=3 728 B14R2.1131 O=CC1=C2C=CC=NC2=C(C=C1)O MCULE-4177872546 [1,1,0,0,0,0|1,0,1]=4 729 B14R2.1131 O=CC1=CC=C(C2=CC=CC=C12)Cl MCULE-3436468678 [1,1,0,0,0,0|1,0,1]=4 730 B14R2.1131 O=CC1=CC=C(C2=CC=CC=C12)F MCULE-5206769563 [1,1,0,0,0,0|1,0,1]=4 731 B14R2.1131 O=NC1=C2C=CC=NC2=C(C=C1)O MCULE-1827788305 [1,1,0,0,0,0|1,0,1]=4 732 B14R2.1131 O=NC1=C2C=CC=NC2=C(C=C1)O MCULE-4348597510 [1,1,0,0,0,0|1,0,1]=4 733 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl MCULE-3249799250 [1,1,0,0,0,0|2,0,0]=4 734 B14R2.1131 OC1=C2N=CC=CC2=C(C=C1)CCl MCULE-3809012268 [1,1,0,0,0,0|2,0,0]=4 735 B14R2.1131 OCC1=C2C=CC=CC2=C(C=C1)Br MCULE-8014646863 [1,1,0,0,0,0|1,0,0]=3 736 B14R2.1131 OCC1=C2C=CC=CC2=C(C=C1)Cl MCULE-1084722806 [1,1,0,0,0,0|1,0,0]=3 737 B14R2.1131 OCC1=C2C=CC=CC2=C(C=C1)F MCULE-7180105879 [1,1,0,0,0,0|1,0,0]=3 738 B14R2.1131 OCC1=C2C=CC=NC2=C(C=C1)F MCULE-7493481110 [1,1,0,0,0,0|2,0,0]=4 739 B14R2.1131 OCC1=C2C=CC=NC2=C(C=C1)O MCULE-5608115375 [1,1,0,0,0,0|1,0,0]=3 740 B14R2.1131 OCC1=C2C=CN=CC2=C(C=C1)F MCULE-1660997032 [1,1,0,0,0,0|2,0,0]=4 741 B14R2.1131 OCC1=C2N=CC=CC2=C(C=C1)F MCULE-3313497814 [1,1,0,0,0,0|2,0,0]=4 742 B14R2.1131 OCC1=CC=C(C2=C1C=NC=C2)F MCULE-1799718221 [1,1,0,0,0,0|2,0,0]=4 743 B14R2.1131 OCC1=NC=C(C2=C1C=CC=C2)Br MCULE-3987461331 [1,1,0,0,0,0|2,0,0]=4 744 B14R2.1131 [O-][N+]1=CC=C(C2=C1C=CC=C2)NO MCULE-3734848507 [1,1,0,0,0,0|1,0,1]=4 745 B14R2.7724 BrC1=CC(=C(C2=CC=CC=C12)Br)Br MCULE-2482059481 [1,1,0,0,0,0|2,0,0]=4 746 B14R2.7724 CC1=C(C2=C(C=CC=C2)C(=C1)Br)N MCULE-8650903810 [1,1,0,0,0,0|2,0,0]=4 747 B14R2.7724 CC1=C(C2=C(C=CC=C2)C(=C1)Cl)N MCULE-8275161751 [1,1,0,0,0,0|2,0,0]=4 748 B14R2.7724 CC1=C(C2=C(C=CC=C2)C(=C1)O)O MCULE-6893231875 [1,1,0,0,0,0|0,0,0]=2 749 B14R2.7724 CC1=C(C2=CC=CC=C2C(=C1)I)F MCULE-7027104399 [1,1,0,0,0,0|2,0,0]=4 750 B14R2.7724 CC1=C(C2=CC=CC=C2C(=C1)N)O MCULE-1878308496 [1,1,0,0,0,0|1,0,0]=3 751 B14R2.7724 CC1=C2C=CC=NC2=C(C(=C1)Br)O MCULE-4072033899 [1,1,0,0,0,0|2,0,0]=4 752 B14R2.7724 CC1=CC(=C(C2=C1C=CC=N2)O)C MCULE-9742078221 [1,1,0,0,0,0|2,0,0]=4 753 B14R2.7724 CC1=CC(=C(C2=CC=CC=C12)F)I MCULE-2382107904 [1,1,0,0,0,0|2,0,0]=4 754 B14R2.7724 CC1=CC(=C(C2=CC=CC=C12)O)Br MCULE-6662921941 [1,1,0,0,0,0|1,0,0]=3 755 B14R2.7724 CC1=CC(=C2C=CC=CC2=C1F)Br MCULE-8593501945 [1,1,0,0,0,0|2,0,0]=4 756 B14R2.7724 CC1=CC(=C2C=CC=CC2=C1O)N MCULE-7074045184 [1,1,0,0,0,0|1,0,0]=3 757 B14R2.7724 CC1=CC(=C2C=CC=NC2=C1O)Br MCULE-7928628176 [1,1,0,0,0,0|2,0,0]=4 758 B14R2.7724 CC1=CC(=O)C2=C(C1=O)C=CC=C2 MCULE-2487773379 [1,1,0,0,0,0|0,0,2]=4 759 B14R2.7724 CN1C(=O)C=C(C2=C1C=CC=C2)O MCULE-8793371318 [1,1,0,0,0,0|2,0,0]=4 760 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br MCULE-1101581471 [1,1,0,0,0,0|2,0,0]=4 761 B14R2.7724 NC1=C2C=CC=CC2=C(C(=C1)Cl)O MCULE-3146724624 [1,1,0,0,0,0|1,0,0]=3 762 B14R2.7724 NC1=C2C=CC=CC2=C(C=C1Cl)Cl MCULE-6026550493 [1,1,0,0,0,0|2,0,0]=4 763 B14R2.7724 NC1=CC(=C2C=CC=NC2=C1O)Cl MCULE-1947911420 [1,1,0,0,0,0|2,0,0]=4 764 B14R2.7724 NC1=CC(=O)C2=C(C1=O)C=CC=C2 MCULE-5296437781 [1,1,0,0,0,0|0,0,2]=4 765 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)Br MCULE-4076730443 [1,1,0,0,0,0|0,0,2]=4 766 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O MCULE-8698811000 [1,1,0,0,0,0|0,0,2]=4 767 B14R2.7724 O=C1C=C(C(=O)C2=CC=CC=C12)Cl MCULE-8501254259 [1,1,0,0,0,0|0,0,2]=4 768 B14R2.7724 O=C1C=C(C2=C(C1=O)C=CC=C2)Cl MCULE-9512485145 [1,1,0,0,0,0|1,0,1]=4 769 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Cl)Cl MCULE-8037478420 [1,1,0,0,0,0|1,0,0]=3 770 B14R2.7724 OC1=C(C=C(C2=C1N=CC=C2)Cl)I MCULE-5389218452 [1,1,0,0,0,0|2,0,0]=4 771 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Cl)Cl MCULE-3987057340 [1,1,0,0,0,0|2,0,0]=4 772 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)I)I MCULE-6767985681 [1,1,0,0,0,0|2,0,0]=4 773 B14R2.7724 OC1=C2C=CC=CC2=C(C(=C1)Cl)Cl MCULE-4188436495 [1,1,0,0,0,0|1,0,0]=3 774 B14R2.7724 OC1=C2C=CC=CC2=C(C=C1Br)Br MCULE-3718637453 [1,1,0,0,0,0|1,0,0]=3 775 B14R2.7724 OC1=C2C=CC=CC2=C(C=C1Cl)Br MCULE-3301356700 [1,1,0,0,0,0|1,0,0]=3 776 B14R2.7724 OC1=C2N=CC=CC2=C(C=C1Br)Cl MCULE-8934943502 [1,1,0,0,0,0|2,0,0]=4 777 B14R2.7724 OC1=CC(=C2C=CC=CC2=C1F)Br MCULE-5136194867 [1,1,0,0,0,0|2,0,0]=4 778 B14R2.8751 CC1=C2C=CC(=O)OC2=C(C=C1)O MCULE-2714744586 [1,1,0,0,0,0|2,0,0]=4 779 B14R2.8751 CC1=CC=C(C2=C1C=CC(=N2)C)O MCULE-4919987493 [1,1,0,0,0,0|2,0,0]=4 780 B14R2.8751 CC1=CC=C2C(=O)C=CC(=O)C2=C1 MCULE-1740974074 [1,1,0,0,0,0|0,0,2]=4 781 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)Br)O MCULE-1727203003 [1,1,0,0,0,0|2,0,0]=4 782 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)N)O MCULE-6639170545 [1,1,0,0,0,0|2,0,0]=4 783 B14R2.8751 CC1=NC2=C(C=CC(=C2C=C1)O)N MCULE-9352858515 [1,1,0,0,0,0|2,0,0]=4 784 B14R2.8751 OC1=C2C=C(C=CC2=C(C=C1)F)F MCULE-3665519932 [1,1,0,0,0,0|1,0,0]=3 785 B14R2.8751 OC1=C2C=C(C=CC2=C(C=N1)Br)F MCULE-4150964254 [1,1,0,0,0,0|2,0,0]=4 786 B14R2.8751 OC1=CC=C(C2=C1C=C(N=C2)Cl)Br MCULE-7170396585 [1,1,0,0,0,0|2,0,0]=4 787 B14R2.8751 OC1=CC=C2C(=CC=C(C2=C1)F)O MCULE-9263988163 [1,1,0,0,0,0|1,0,0]=3 788 B14R2.8751 OC1=NC=C(C2=C1C=CC(=C2)Br)S MCULE-1375107091 [1,1,0,0,0,0|1,1,0]=4 789 B14R2.8751 OC1=NN=C(C2=C1C=CC(=C2)Br)O MCULE-1355336275 [1,1,0,0,0,0|2,0,0]=4 790 B14R2.11635 BrCC1=CC=CC2=CC=CC(=C12)Br MCULE-4307852689 [1,1,0,0,0,0|2,0,0]=4 791 B14R2.11635 C#CC1=CC=CC2=C1C(=CC=C2)Br MCULE-6500466014 [1,1,0,0,0,0|2,0,0]=4 792 B14R2.11635 C=CC1=CC=CC2=CC=CC(=C12)N MCULE-8346813692 [1,1,0,0,0,0|2,0,0]=4 793 B14R2.11635 CC1=C2C(=CC=CC2=CC=C1)C=O MCULE-1401811926 [1,1,0,0,0,0|1,0,1]=4 794 B14R2.11635 CC1=CC=CC2=C1C(=CC=C2)CO MCULE-6920003617 [1,1,0,0,0,0|1,0,0]=3 795 B14R2.11635 CC1=CC=CC2=CC=CC(=C12)CBr MCULE-1139234445 [1,1,0,0,0,0|2,0,0]=4 796 B14R2.11635 CC1=CN=CC2=CC=CC(=C12)CO MCULE-2942436391 [1,1,0,0,0,0|2,0,0]=4 797 B14R2.11635 CC1=NC=CC2=CC=CC(=C12)CO MCULE-7216471763 [1,1,0,0,0,0|2,0,0]=4 798 B14R2.11635 CCC1=C2C(=CC=CC2=CC=C1)I MCULE-5804040340 [1,1,0,0,0,0|2,0,0]=4 799 B14R2.11635 CCC1=CC=CC2=CC=CC(=C12)Br MCULE-6652087147 [1,1,0,0,0,0|2,0,0]=4 800 B14R2.11635 CNC1=CC=CC2=C1C(=NC=C2)O MCULE-8356394395 [1,1,0,0,0,0|2,0,0]=4 801 B14R2.11635 CNC1=CC=CC2=CC=CC(=C12)N MCULE-4051941042 [1,1,0,0,0,0|2,0,0]=4 802 B14R2.11635 CNC1=CC=CC2=CC=CC(=C12)N MCULE-5466484198 [1,1,0,0,0,0|2,0,0]=4 803 B14R2.11635 COC1=C2C(=CC=C1)C=CN=C2Cl MCULE-2015832287 [1,1,0,0,0,0|2,0,0]=4 804 B14R2.11635 COC1=C2C(=CC=C1)N=CN=C2O MCULE-5808233042 [1,1,0,0,0,0|2,0,0]=4 805 B14R2.11635 COC1=C2C(=CC=CC2=CC=N1)N MCULE-5956473296 [1,1,0,0,0,0|2,0,0]=4 806 B14R2.11635 COC1=C2C(=CC=NC2=CC=C1)Br MCULE-3953441365 [1,1,0,0,0,0|2,0,0]=4 807 B14R2.11635 COC1=C2C(=CC=NC2=CC=C1)C MCULE-4304277641 [1,1,0,0,0,0|2,0,0]=4 808 B14R2.11635 COC1=C2C(=CC=NC2=CC=C1)N MCULE-1807504856 [1,1,0,0,0,0|2,0,0]=4 809 B14R2.11635 COC1=C2C(=CC=NC2=CC=C1)O MCULE-3885643046 [1,1,0,0,0,0|1,0,0]=3 810 B14R2.11635 COC1=CC=CC2=C1C(=CN=C2)Br MCULE-4945260955 [1,1,0,0,0,0|2,0,0]=4 811 B14R2.11635 COC1=CC=CC2=C1C(=NC=C2)C MCULE-5186861163 [1,1,0,0,0,0|2,0,0]=4 812 B14R2.11635 COC1=CC=CC2=C1C(=O)C=CO2 MCULE-2173764632 [1,1,0,0,0,0|1,0,1]=4 813 B14R2.11635 COC1=CC=CC2=C1C(=O)NC=C2 MCULE-9960754742 [1,1,0,0,0,0|1,0,1]=4 814 B14R2.11635 COC1=CC=CC2=CC=CC(=C12)Br MCULE-6136277575 [1,1,0,0,0,0|1,0,0]=3 815 B14R2.11635 COC1=CC=CC2=CC=CC(=C12)Cl MCULE-4054379068 [1,1,0,0,0,0|1,0,0]=3 816 B14R2.11635 COC1=CC=CC2=CC=CC(=C12)O MCULE-6706397509 [1,1,0,0,0,0|0,0,0]=2 817 B14R2.11635 COC1=CC=CC2=NC=CC(=C12)Cl MCULE-5683385388 [1,1,0,0,0,0|2,0,0]=4 818 B14R2.11635 ClCC1=CC=CC2=CC=CC(=C12)Br MCULE-5454998960 [1,1,0,0,0,0|2,0,0]=4 819 B14R2.11635 ClCC1=CC=CC2=CC=CC(=C12)I MCULE-2341502102 [1,1,0,0,0,0|2,0,0]=4 820 B14R2.11635 N#CC1=CC=CC2=C1C(=NC=C2)O MCULE-8255130374 [1,1,0,0,0,0|2,0,0]=4 821 B14R2.11635 N#CC1=CC=CC2=CC=CC(=C12)Br MCULE-5157298209 [1,1,0,0,0,0|2,0,0]=4 822 B14R2.11635 N#CC1=CC=CC2=CC=CC(=C12)I MCULE-2618782329 [1,1,0,0,0,0|2,0,0]=4 823 B14R2.11635 NC1=NC=CC2=CC=CC(=C12)CO MCULE-9384984419 [1,1,0,0,0,0|2,0,0]=4 824 B14R2.11635 NCC1=CC=CC2=C1C(=CC=C2)F MCULE-6965015514 [1,1,0,0,0,0|2,0,0]=4 825 B14R2.11635 O=CC1=C2C(=CC=CC2=CC=C1)F MCULE-6172682769 [1,1,0,0,0,0|1,0,1]=4 826 B14R2.11635 O=CC1=C2C(=CC=CC2=CC=C1)O MCULE-9438567274 [1,1,0,0,0,0|0,0,1]=3 827 B14R2.11635 O=CC1=CC=CC2=CC=CC(=C12)Br MCULE-3291920083 [1,1,0,0,0,0|1,0,1]=4 828 B14R2.11635 O=CC1=CC=CC2=CC=CC(=C12)Cl MCULE-1646351142 [1,1,0,0,0,0|1,0,1]=4 829 B14R2.11635 OCC1=C2C(=CC=C1)C=CN=C2Cl MCULE-1277670778 [1,1,0,0,0,0|2,0,0]=4 830 B14R2.11635 OCC1=CC=CC2=C1C(=CC=C2)Br MCULE-1571156971 [1,1,0,0,0,0|1,0,0]=3 831 B14R2.11635 OCC1=CC=CC2=C1C(=CC=C2)I MCULE-3399378660 [1,1,0,0,0,0|1,0,0]=3 832 B14R2.28480 CC1=C2C(=CC(=NC2=CC=C1)O)O MCULE-5554221613 [1,1,0,0,0,0|2,0,0]=4 833 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C MCULE-9961899215 [1,1,0,0,0,0|2,0,0]=4 834 B14R2.28480 CC1=CC(=O)C2=C(O1)C=CC=C2O MCULE-4530227739 [1,1,0,0,0,0|1,0,1]=4 835 B14R2.28480 CC1=CC2=C(C(=CC=C2)C)C(=C1)C MCULE-2497902744 [1,1,0,0,0,0|2,0,0]=4 836 B14R2.28480 CC1=CC=CC2=C1C(=CC(=N2)C)O MCULE-5999085094 [1,1,0,0,0,0|2,0,0]=4 837 B14R2.28480 NC1=C2C(=CC(=CC2=CC=C1)F)F MCULE-8871216002 [1,1,0,0,0,0|2,0,0]=4 838 B14R2.28480 O=C1C=C(C2=C(C=CC=C2O1)Cl)O MCULE-7476093672 [1,1,0,0,0,0|2,0,0]=4 839 B14R2.28480 O=C1C=C(C2=C(O1)C=CC=C2F)O MCULE-6480427734 [1,1,0,0,0,0|2,0,0]=4 840 B14R2.28480 O=C1C=COC2=CC(=CC(=C12)O)O MCULE-8832669635 [1,1,0,0,0,0|1,0,1]=4 841 B14R2.28480 OC1=C2C(=CC(=CC2=CC=N1)F)Br MCULE-2058128564 [1,1,0,0,0,0|2,0,0]=4 842 B14R2.28480 OC1=C2C(=CC(=CC2=NC=C1)F)F MCULE-3585805708 [1,1,0,0,0,0|2,0,0]=4 843 B14R2.28480 OC1=CC(=C2C(=CC=CC2=C1)Cl)Br MCULE-8403720538 [1,1,0,0,0,0|2,0,0]=4 844 B14R2.28480 OC1=CC(=C2C(=CC=CC2=C1)F)Br MCULE-3616238280 [1,1,0,0,0,0|2,0,0]=4 845 B14R2.28480 OC1=CC=NC2=CC(=CC(=C12)Cl)Cl MCULE-9613207717 [1,1,0,0,0,0|2,0,0]=4 846 B14R2.28480 OC1=NC=CC2=CC(=CC(=C12)F)Cl MCULE-2180932788 [1,1,0,0,0,0|2,0,0]=4 847 B14R2.28480 OC1=NC=CC2=CC(=CC(=C12)F)F MCULE-6051342864 [1,1,0,0,0,0|2,0,0]=4 848 B14R2.28523 CC1=CC=C2C=CC=C(C2=[N+]1[O-])O MCULE-5301534094 [1,1,0,0,0,0|1,0,1]=4 849 B14R2.28523 ClC1=CC=C2C=CC=C(C2=C1Br)Cl MCULE-2229469730 [1,1,0,0,0,0|2,0,0]=4 850 B14R2.28523 OC1=C2C(=CC=C1)C=CC(=C2F)F MCULE-2942752007 [1,1,0,0,0,0|1,0,0]=3 851 B14R2.28523 OC1=CC=CC2=CC=C(C(=C12)Cl)Cl MCULE-6271811583 [1,1,0,0,0,0|1,0,0]=3 852 B14R2.28523 OC1=NC=CC2=CC=C(C(=C12)Br)F MCULE-5390589694 [1,1,0,0,0,0|2,0,0]=4 853 B14R2.28523 OC1=NC=CC2=CC=C(C(=C12)F)Br MCULE-3827148090 [1,1,0,0,0,0|2,0,0]=4 854 B16R2.22899 O=C1C(=C(C(=O)C2=C1C=CC=C2O)Cl)Cl MCULE-9362742957 [0,2,0,0,0,0|0,0,2]=4 855 B16R2.24454 CC1=CC(=C2C(=O)C=CC(=O)C2=C1Cl)O MCULE-9727790480 [0,2,0,0,0,0|0,0,2]=4 856 B16R2.24454 CC1=CC(=O)C2=C(C1=O)C(=CC=C2O)O MCULE-2172866621 [0,2,0,0,0,0|0,0,1]=3 857 B16R2.36854 COC1=C2C(=O)C=C(C(=O)C2=CC=C1)C MCULE-3798426177 [0,2,0,0,0,0|0,0,2]=4 858 B16R2.36854 COC1=CC=CC2=C1C(=CC(=O)N2C)O MCULE-8625535273 [0,2,0,0,0,0|2,0,0]=4 859 B16R2.36855 COC1=CC=CC2=C1C(=O)C(=CC2=O)O MCULE-8054028509 [0,2,0,0,0,0|0,0,2]=4 860 B16R2.37419 COC1=CC(=O)N(C2=C1C=CC=C2O)C MCULE-1855712080 [0,2,0,0,0,0|2,0,0]=4 861 B16R2.39216 COC1=CC=C(C2=C1N=C(C=C2O)C)Cl MCULE-7777949652 [0,2,0,0,0,0|2,0,0]=4 862 B16R2.196476 COC1=C2C(=CC(=O)NC2=C(C=C1)O)C MCULE-1906663016 [0,2,0,0,0,0|2,0,0]=4 863 B16R2.39188 COC1=C2N=CC(=C(C2=C(C=C1)C)O)I MCULE-7704427027 [0,2,0,0,0,0|2,0,0]=4 864 B16R2.36847 COC1=CC=CC2=C(C=CC(=C12)C=O)F MCULE-9606560161 [0,2,0,0,0,0|1,0,1]=4 865 B16R2.36847 COC1=CC=CC2=C(C=CC(=C12)CO)F MCULE-3871841630 [0,2,0,0,0,0|1,0,0]=3 866 B16R2.39213 COC1=C2C=CC=C(C2=C(C=C1)C=O)O MCULE-1819093756 [0,2,0,0,0,0|0,0,1]=3 867 B16R2.39213 COC1=C2C=CC=C(C2=C(C=C1)OC)O MCULE-5380739197 [0,2,0,0,0,0|0,0,0]=2 868 B16R2.39213 COC1=C2C=CN=C(C2=C(C=C1)OC)O MCULE-5877880725 [0,2,0,0,0,0|1,0,0]=3 869 B16R2.39213 COC1=C2N=CC=C(C2=C(C=C1)OC)C MCULE-7857113719 [0,2,0,0,0,0|2,0,0]=4 870 B16R2.22897 O=C(O)C1=C2C(=NC=CC2=C(C=C1)F)O MCULE-9101986669 [0,2,0,0,0,0|2,0,0]=4 871 B14R2.21 OC1=CC(=CC=C1)C2=NC=CC=C2 MCULE-1439192735 [0,0,1,1,0,0|2,0,0]=4 872 B14R2.21 OC1=CC=CC(=C1)C2=CC=CC=C2 MCULE-1378892902 [0,0,1,1,0,0|2,0,0]=4 873 B14R2.22 CC1=CC=C(O1)C2=CC(=CC=C2)N MCULE-1915817843 [0,0,1,1,0,0|2,0,0]=4 874 B14R2.22 CC1=CC=C(O1)C2=CC(=CC=C2)N MCULE-5559139771 [0,0,1,1,0,0|2,0,0]=4 875 B14R2.306 CC1=CC(=C(C=C1)O)C2=CC=NO2 MCULE-1434004947 [0,0,1,1,0,0|2,0,0]=4 876 B14R2.306 CC1=CC=C(C(=C1)C2=CN=CO2)O MCULE-6523965353 [0,0,1,1,0,0|2,0,0]=4 877 B14R2.306 OC1=C(C=C(C=C1)Br)C2=CC=NO2 MCULE-8829582198 [0,0,1,1,0,0|2,0,0]=4 878 B14R2.306 OC1=C(C=C(C=C1)Cl)C2=CC=NO2 MCULE-3737774056 [0,0,1,1,0,0|2,0,0]=4 879 B14R2.306 OC1=CC=C(C(=C1)C2=CN=CO2)Br MCULE-6629240128 [0,0,1,1,0,0|2,0,0]=4 880 B14R2.306 OC1=CC=C(C=C1C2=CC=NO2)F MCULE-7639359950 [0,0,1,1,0,0|2,0,0]=4 881 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)O MCULE-5644545708 [0,0,1,1,0,0|0,0,2]=4 882 B14R2.8235 CC1=CC(=O)OC2=C1C=C(C=C2)O MCULE-4501305082 [0,0,1,1,0,0|2,0,0]=4 883 B14R2.8235 CC1=CC=C2OC(=O)C=C(C2=C1)O MCULE-1219589827 [0,0,1,1,0,0|2,0,0]=4 884 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)O MCULE-5567537963 [0,0,1,1,0,0|1,0,1]=4 885 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)O MCULE-9421261272 [0,0,1,1,0,0|1,0,1]=4 886 B14R2.8235 O=C1C=C(C2=C(O1)C=CC(=C2)Br)O MCULE-8864295793 [0,0,1,1,0,0|2,0,0]=4 887 B14R2.8235 O=C1C=C(C2=C(O1)C=CC(=C2)Cl)O MCULE-3717984892 [0,0,1,1,0,0|2,0,0]=4 888 B14R2.8235 O=C1C=C(C2=C(O1)C=CC(=C2)O)O MCULE-8089546078 [0,0,1,1,0,0|1,0,0]=3 889 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)F)O MCULE-8866217822 [0,0,1,1,0,0|2,0,0]=4 890 B14R2.106 BrC=CC1=CC2=C(O1)C=CC(=C2)Br MCULE-7849917588 [0,0,1,1,0,0|2,0,0]=4 891 B14R2.106 ON=CC1=CC2=CC(=CC=C2O1)Br MCULE-8750895527 [0,0,1,1,0,0|2,0,0]=4 892 B14R2.2332 C=CC1=CC2=CC=C(C=C2C=C1)O MCULE-2657203316 [0,0,1,1,0,0|2,0,0]=4 893 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O MCULE-9298482933 [0,0,1,1,0,0|1,0,1]=4 894 B14R2.2332 OCC1=CC2=C(C=C1)C=C(C=C2)O MCULE-9588773001 [0,0,1,1,0,0|1,0,1]=4 895 B14R2.24 OC1=C(C=CC=C1)C2=CN=CC=C2 MCULE-2937820910 [0,0,1,1,0,0|2,0,0]=4 896 B14R2.24 OC1=CC=CC=C1C2=CC=CC=C2 MCULE-6514278919 [0,0,1,1,0,0|2,0,0]=4 897 B14R2.24 OC1=CC=CC=C1C2=NC=CC=C2 MCULE-4118794608 [0,0,1,1,0,0|2,0,0]=4 898 B14R2.256 CC1=CC=C(O1)C2=C(C=CC=C2)N MCULE-4382675224 [0,0,1,1,0,0|2,0,0]=4 899 B14R2.256 CC1=CC=C(O1)C2=CC=CC=C2N MCULE-4084465873 [0,0,1,1,0,0|2,0,0]=4 900 B14R2.1019 O=C1C=C(OC2=C1C=CC=C2)CO MCULE-9362214124 [0,0,1,1,0,0|0,0,2]=4 901 B14R2.1019 O=CC1=CC(=O)C2=C(O1)C=CC=C2 MCULE-6216688831 [0,0,1,1,0,0|0,0,2]=4 902 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O MCULE-9211746286 [0,0,1,1,0,0|1,0,1]=4 903 B14R2.4497 O=C(O)C1=C(C=CC2=C1C=CO2)F MCULE-3305532410 [0,0,1,1,0,0|2,0,0]=4 904 B14R2.203 O=CC1=C2C=CC=CC2=CC=C1O MCULE-7982951852 [0,0,1,1,0,0|1,0,1]=4 905 B14R2.203 O=CC1=C2C=CC=NC2=CC=C1O MCULE-4476410802 [0,0,1,1,0,0|1,0,1]=4 906 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 MCULE-4571389115 [1,0,0,1,0,0|2,0,0]=4 907 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CC3 MCULE-4886754503 [1,0,0,1,0,0|2,0,0]=4 908 B14R3.164 C1=CC2=CC=CC3=C2C(=C1)CN3 MCULE-4437919830 [1,0,0,1,0,0|2,0,0]=4 909 B12R2.196 CC1=CNC2=C(C=CC=C12)O MCULE-9439723934 [1,0,0,0,1,0|2,0,0]=4 910 B12R2.196 CN1C=CC2=C1C=CC=C2O MCULE-3470186863 [1,0,0,0,1,0|2,0,0]=4 911 B12R2.196 OC1=C2OC=C(C2=CC=C1)Br MCULE-5549570108 [1,0,0,0,1,0|2,0,0]=4 912 B12R2.196 OC1=NOC2=C(C=CC=C12)O MCULE-1569970561 [1,0,0,0,1,0|2,0,0]=4 913 B12R2.221 CC1=CC=C(C2=C1NC=C2)O MCULE-7506929515 [1,0,0,0,1,0|2,0,0]=4 914 B12R2.221 OC1=C2C=CNC2=C(C=C1)Cl MCULE-6813509716 [1,0,0,0,1,0|2,0,0]=4 915 B12R2.221 OC1=C2C=CNC2=C(N=C1)O MCULE-5559206462 [1,0,0,0,1,0|2,0,0]=4 916 B12R2.221 OC1=C2C=COC2=C(C=C1)Br MCULE-6267414566 [1,0,0,0,1,0|2,0,0]=4 917 B12R2.221 OC1=C2C=COC2=C(C=C1)Cl MCULE-7010360021 [1,0,0,0,1,0|2,0,0]=4 918 B12R2.221 OC1=C2NC=CC2=C(C=C1)F MCULE-1878953205 [1,0,0,0,1,0|2,0,0]=4 919 B12R2.221 OC1=C2OC=CC2=C(C=C1)Br MCULE-1760441024 [1,0,0,0,1,0|2,0,0]=4 920 B12R2.221 OC1=C2OC=CC2=C(C=C1)F MCULE-2058511513 [1,0,0,0,1,0|2,0,0]=4 921 B12R2.221 OC1=CC=C(C2=C1C=CN2)O MCULE-7791764815 [1,0,0,0,1,0|1,0,0]=3 922 B12R2.221 OC1=CC=C(C2=C1N=CN2)O MCULE-3653016303 [1,0,0,0,1,0|2,0,0]=4 923 B12R2.221 OC1=CC=C(C2=C1NC=C2)Br MCULE-9169120236 [1,0,0,0,1,0|2,0,0]=4 924 B12R2.2028 O=C1C=C(C2=C1C=CC=C2)Br MCULE-4869165320 [1,0,0,0,1,0|1,0,1]=4 925 B12R2.203 CC1=CNC2=C1C(=CC=C2)O MCULE-9261050284 [1,0,0,0,1,0|2,0,0]=4 926 B12R2.203 OC1=C2C(=CSC2=CC=C1)Br MCULE-6472390236 [1,0,0,0,1,0|2,0,0]=4 927 B12R2.203 OC1=NOC2=CC=CC(=C12)O MCULE-9195361265 [1,0,0,0,1,0|2,0,0]=4 928 B14R1.4926 O=C(O)CC1=C(C(=CC=C1)O)C(=O)O MCULE-8445047699 [0,0,1,0,0,1|2,0,0]=4