0 B9R1.69 BrC1=CC(=C(C=C1)I)Br MCULE-5875274178 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 BrC1=CC=C(C(=C1)I)I MCULE-4850387143 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 BrC1=CC=C(C(=N1)Br)I MCULE-8914295867 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.69 CC1=C(C=CC(=C1)Br)I MCULE-3452629883 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=C(C=CC(=C1)Cl)I MCULE-7489442219 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=C(C=CC(=C1)F)I MCULE-6259355266 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=C(C=CC(=C1)I)I MCULE-4625406610 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 CC1=C(C=CC(=N1)Cl)I MCULE-2557156084 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,0,0,0,0,0|2,1,0]=3 10 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-4433615327 [0,0,0,0,0,0|1,1,1]=3 13 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-9820279136 [0,0,0,0,0,0|1,1,1]=3 14 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 CC1=C(NC(=O)C=N1)C MCULE-9118396111 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 CC1=CC(=C(C=C1)I)Cl MCULE-1600846704 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 CC1=CC(=C(C=C1)I)F MCULE-4824888909 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 CC1=CC(=C(C=C1)I)O MCULE-3721068697 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.69 CC1=CC(=CC=C1I)N MCULE-8094985729 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 CC1=CC(=CC=C1I)O MCULE-8054943379 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.69 CC1=CC(=NC=C1I)Br MCULE-6009588453 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 CC1=CC(=NC=C1I)Cl MCULE-1981280523 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 CC1=CC(=NC=C1I)F MCULE-5403730716 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.69 CC1=CC(=NC=C1I)N MCULE-4955842124 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.69 CC1=CC(=NC=C1I)O MCULE-5349325446 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 CC1=CC(=O)NC=C1Br MCULE-8891123753 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.69 CC1=CC(=O)NN=C1Cl MCULE-5144372564 [0,0,0,0,0,0|3,1,0]=4 31 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 CC1=CC=C(C(=C1)Br)I MCULE-8093475489 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 CC1=CC=C(C(=C1)C)I MCULE-5663493454 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 CC1=CC=C(C(=C1)I)I MCULE-9907041594 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.69 CC1=CC=C(C(=C1)N)I MCULE-4801437020 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 CC1=CC=C(C(=N1)Br)I MCULE-5491100586 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.69 CC1=CC=C(C(=N1)F)I MCULE-3365100657 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.69 CC1=CC=C(C(=N1)N)I MCULE-6917979745 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.69 CC1=CC=C(C(=O)N1)Cl MCULE-5441621395 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.69 CC1=CC=C(C(=O)N1)N MCULE-6572218746 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.69 CC1=CC=C(NC1=O)Br MCULE-2417679757 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.69 CC1=CC=C(NC1=O)Cl MCULE-5412966214 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.69 CC1=CN=C(C(=O)N1)N MCULE-1079946763 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 CC1=CNC(=NC1=O)C MCULE-3546851335 [0,0,0,0,0,0|2,0,1]=3 45 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.69 CC1=CNC(=O)C=C1I MCULE-9234300230 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.69 CC1=CNC(=O)N=C1Cl MCULE-8904096014 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.69 CC1=CNC(=O)N=C1N MCULE-1653319899 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.69 CC1=CNC(=O)N=C1N MCULE-3789550079 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.69 CC1=CNC(=O)NC1=O MCULE-6356243926 [0,0,0,0,0,0|1,0,0]=1 51 B9R1.69 CC1=CNC(=O)NC1=S MCULE-2390616666 [0,0,0,0,0,0|1,1,0]=2 52 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [0,0,0,0,0,0|1,1,0]=2 53 B9R1.69 CC1=NC(=C(C=N1)I)Cl MCULE-6507895358 [0,0,0,0,0,0|2,0,2]=4 54 B9R1.69 CC1=NC(=CC=C1I)Br MCULE-4430851686 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.69 CC1=NC(=CC=C1I)F MCULE-5928342491 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.69 CC1=NC(=CC=C1I)N MCULE-6990471711 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.69 CC1=NC(=NC=C1I)N MCULE-3699598484 [0,0,0,0,0,0|2,0,2]=4 58 B9R1.69 CC1=NC=C(C(=C1)N)I MCULE-5298700938 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.69 CC1=NC=C(C(=O)N1)F MCULE-6156802397 [0,0,0,0,0,0|1,1,1]=3 60 B9R1.69 CC1=NC=C(C(=O)N1)I MCULE-9280509199 [0,0,0,0,0,0|1,0,1]=2 61 B9R1.69 CC1=NN=C(C(=O)N1)C MCULE-3345491063 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.69 CC1=NN=C(NC1=O)S MCULE-1716564578 [0,0,0,0,0,0|2,1,1]=4 63 B9R1.69 CC1=NNC(=O)N=C1N MCULE-5391002563 [0,0,0,0,0,0|3,0,1]=4 64 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1502977032 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1807973782 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.69 CC1=NNC(=O)NC1=S MCULE-2580193457 [0,0,0,0,0,0|2,1,0]=3 67 B9R1.69 CC1=NNC(=S)NC1=S MCULE-4576414863 [0,0,0,0,0,0|2,2,0]=4 68 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,0,0,0,0,0|2,0,2]=4 69 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,0,0,0,0,0|2,0,2]=4 70 B9R1.69 CC1NNC(=O)NC1=O MCULE-2982898824 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.69 CC1NNC(=S)NC1=O MCULE-1126162722 [0,0,0,0,0,0|2,1,1]=4 72 B9R1.69 CN1C=CC(=O)NC1=O MCULE-4954410074 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [0,0,0,0,0,0|3,1,0]=4 74 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.69 ClC1=CC(=C(C=C1)I)Cl MCULE-8833387675 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 ClC1=CC(=CC=C1I)Br MCULE-5121935571 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 ClC1=CC(=NC=C1I)Br MCULE-1506840141 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.69 ClC1=CC(=NC=C1I)Br MCULE-4780473097 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.69 ClC1=CC(=NC=C1I)Cl MCULE-4287689216 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.69 ClC1=CC=C(C(=C1)Br)I MCULE-4241000075 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.69 ClC1=CC=C(C(=N1)Cl)I MCULE-4517675016 [0,0,0,0,0,0|3,0,1]=4 82 B9R1.69 ClC1=NC(=C(C=C1)I)Br MCULE-9315324641 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.69 ClC1=NC(=CC=C1I)Br MCULE-1316028751 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.69 ClC1=NC=C(C(=N1)Cl)I MCULE-4039095835 [0,0,0,0,0,0|2,0,2]=4 85 B9R1.69 FC1=C(C=CC(=N1)Br)I MCULE-7001432845 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.69 FC1=CC(=C(C=C1)I)Br MCULE-3234966116 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 FC1=CC(=C(C=C1)I)Cl MCULE-4197922195 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 FC1=CC(=C(C=C1)I)F MCULE-4845837282 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 FC1=CC(=CC=C1I)Br MCULE-1515389148 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.69 FC1=CC(=CC=C1I)Cl MCULE-3654675942 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.69 FC1=CC(=CC=C1I)I MCULE-8037256903 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 FC1=CC(=NC=C1I)Br MCULE-1510944095 [0,0,0,0,0,0|3,0,1]=4 93 B9R1.69 FC1=CC(=NC=C1I)Cl MCULE-1857203542 [0,0,0,0,0,0|3,0,1]=4 94 B9R1.69 FC1=CC(=NC=C1I)F MCULE-8060929603 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.69 FC1=CC=C(C(=C1)I)I MCULE-7691955837 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 FC1=CC=C(C(=N1)Br)I MCULE-7705445635 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.69 FC1=CC=C(C(=N1)F)I MCULE-7264695212 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.69 FC1=NC(=CC=C1I)Cl MCULE-5452148969 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.69 FC1=NC=C(C(=C1)Br)I MCULE-3427452554 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.69 FC1=NC=C(C(=C1)Cl)I MCULE-5333675699 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.69 N=C1N=C(NC=C1N)N MCULE-9072791437 [0,0,0,0,0,0|3,0,1]=4 102 B9R1.69 NC1=C(C=CC(=C1)Br)I MCULE-6718828756 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.69 NC1=C(C=CC(=C1)Cl)I MCULE-7242578493 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.69 NC1=C(C=CC(=C1)I)I MCULE-4892566695 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.69 NC1=C(C=NC(=C1)Cl)I MCULE-9315818064 [0,0,0,0,0,0|3,0,1]=4 106 B9R1.69 NC1=C(C=NC(=N1)Cl)I MCULE-7958721851 [0,0,0,0,0,0|2,0,2]=4 107 B9R1.69 NC1=C(NC(=O)C=C1)N MCULE-9610602391 [0,0,0,0,0,0|3,0,0]=3 108 B9R1.69 NC1=CC(=C(C=C1)I)F MCULE-9914054449 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.69 NC1=CC(=CC=C1I)Cl MCULE-8554076292 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.69 NC1=CC(=CC=C1I)F MCULE-8121605498 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 NC1=CC(=CC=C1I)O MCULE-2079934537 [0,0,0,0,0,0|3,0,1]=4 112 B9R1.69 NC1=CC(=NC=C1I)Br MCULE-4016680729 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.69 NC1=CC(=NC=C1I)F MCULE-9747189919 [0,0,0,0,0,0|3,0,1]=4 114 B9R1.69 NC1=CC(=O)C(=CN1)Cl MCULE-5330162128 [0,0,0,0,0,0|2,1,0]=3 115 B9R1.69 NC1=CC(=O)NN=C1Cl MCULE-4750782331 [0,0,0,0,0,0|3,1,0]=4 116 B9R1.69 NC1=CC=C(C(=C1)Br)I MCULE-3208559940 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.69 NC1=CC=C(C(=C1)Cl)I MCULE-4971040180 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 NC1=CC=C(C(=C1)N)I MCULE-4243131707 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 NC1=CC=C(NC1=S)Cl MCULE-7529114591 [0,0,0,0,0,0|3,1,0]=4 120 B9R1.69 NC1=CN=C(NC1=O)N MCULE-2464173889 [0,0,0,0,0,0|2,0,1]=3 121 B9R1.69 NC1=CNC(=O)NC1=O MCULE-8766220931 [0,0,0,0,0,0|1,0,0]=1 122 B9R1.69 NC1=NC(=C(C=C1)I)Br MCULE-5414939031 [0,0,0,0,0,0|3,0,1]=4 123 B9R1.69 NC1=NC(=C(C=C1)I)Cl MCULE-9415327827 [0,0,0,0,0,0|3,0,1]=4 124 B9R1.69 NC1=NC(=C(C=C1)I)F MCULE-2084315990 [0,0,0,0,0,0|3,0,1]=4 125 B9R1.69 NC1=NC(=C(C=C1)I)N MCULE-6638007881 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.69 NC1=NC(=CC=C1I)Br MCULE-1953401710 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.69 NC1=NC(=CC=C1I)Cl MCULE-1428974184 [0,0,0,0,0,0|3,0,1]=4 128 B9R1.69 NC1=NC(=O)C(=CN1)Cl MCULE-7454708722 [0,0,0,0,0,0|1,1,1]=3 129 B9R1.69 NC1=NC(=O)C(=CN1)F MCULE-9299173255 [0,0,0,0,0,0|1,1,1]=3 130 B9R1.69 NC1=NC(=O)C(=CN1)I MCULE-4150780086 [0,0,0,0,0,0|1,0,1]=2 131 B9R1.69 NC1=NC(=O)NC=C1Br MCULE-9918095021 [0,0,0,0,0,0|1,1,1]=3 132 B9R1.69 NC1=NC(=O)NC=C1Cl MCULE-2268188970 [0,0,0,0,0,0|1,1,1]=3 133 B9R1.69 NC1=NC(=O)NC=C1F MCULE-7094058995 [0,0,0,0,0,0|1,1,1]=3 134 B9R1.69 NC1=NC(=O)NC=C1I MCULE-7464214392 [0,0,0,0,0,0|1,0,1]=2 135 B9R1.69 NC1=NC(=O)NCC1=O MCULE-2660856699 [0,0,0,0,0,0|2,0,2]=4 136 B9R1.69 NC1=NC=C(C(=C1)Br)I MCULE-8368081711 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.69 NC1=NC=C(C(=C1)Cl)I MCULE-7399452218 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.69 NC1=NC=C(C(=C1)F)I MCULE-5924744913 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.69 NC1=NC=C(C(=N1)Cl)I MCULE-7723502682 [0,0,0,0,0,0|2,0,2]=4 140 B9R1.69 NC1=NC=C(C(=N1)N)I MCULE-8101903852 [0,0,0,0,0,0|2,0,2]=4 141 B9R1.69 NC1=NC=C(NC1=O)Br MCULE-9847766852 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.69 NC1=NNC(=O)NC1=O MCULE-3067333649 [0,0,0,0,0,0|2,0,0]=2 143 B9R1.69 NC1C=NC(=O)NC1=O MCULE-1490641488 [0,0,0,0,0,0|1,0,2]=3 144 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,0,0,0,0,0|2,0,2]=4 145 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,0,0,0,0,0|2,0,2]=4 146 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,0,0,0,0,0|2,0,2]=4 147 B9R1.69 NC1NC(=O)NC=C1F MCULE-6799586428 [0,0,0,0,0,0|1,1,1]=3 148 B9R1.69 NN1C=CC(=O)NC1=O MCULE-6452806318 [0,0,0,0,0,0|3,0,0]=3 149 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,0,0,0,0,0|2,0,2]=4 150 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,0,0,0,0,0|2,0,2]=4 151 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,0,0,0,0,0|2,0,2]=4 152 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,0,0,0,0,0|2,0,2]=4 153 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,0,0,0,0,0|2,0,2]=4 154 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,0,0,0,0,0|2,0,2]=4 155 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,0,0,0,0,0|2,0,2]=4 156 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,0,0,0,0,0|2,0,2]=4 157 B9R1.69 O=C1C=C(C(=CN1)Br)Br MCULE-7608477571 [0,0,0,0,0,0|2,1,0]=3 158 B9R1.69 O=C1C=C(C(=CN1)Br)Cl MCULE-9807316455 [0,0,0,0,0,0|2,1,0]=3 159 B9R1.69 O=C1C=C(C(=CN1)Br)F MCULE-7030715609 [0,0,0,0,0,0|2,1,0]=3 160 B9R1.69 O=C1C=C(C(=CN1)Cl)Br MCULE-2131702864 [0,0,0,0,0,0|2,1,0]=3 161 B9R1.69 O=C1C=C(C(=CN1)Cl)Cl MCULE-6667509474 [0,0,0,0,0,0|2,1,0]=3 162 B9R1.69 O=C1C=C(C(=CN1)Cl)I MCULE-6044450800 [0,0,0,0,0,0|2,1,0]=3 163 B9R1.69 O=C1C=C(C(=CN1)Cl)O MCULE-3767139404 [0,0,0,0,0,0|1,1,1]=3 164 B9R1.69 O=C1C=C(C(=CN1)F)O MCULE-2590440873 [0,0,0,0,0,0|1,1,1]=3 165 B9R1.69 O=C1C=C(C(=CN1)I)Cl MCULE-2838518918 [0,0,0,0,0,0|2,0,0]=2 166 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl MCULE-1037002675 [0,0,0,0,0,0|3,1,0]=4 167 B9R1.69 O=C1C=C(NC=C1Br)Cl MCULE-5060506861 [0,0,0,0,0,0|2,1,0]=3 168 B9R1.69 O=C1C=CC(=C(N1)Br)Cl MCULE-2299972105 [0,0,0,0,0,0|2,1,0]=3 169 B9R1.69 O=C1C=CC(=C(N1)Br)F MCULE-7102970752 [0,0,0,0,0,0|2,1,0]=3 170 B9R1.69 O=C1C=CC(=C(N1)Cl)Cl MCULE-1681345436 [0,0,0,0,0,0|2,1,0]=3 171 B9R1.69 O=C1C=CC(=C(N1)I)Br MCULE-3011078994 [0,0,0,0,0,0|2,1,0]=3 172 B9R1.69 O=C1C=CC(=O)C(=C1)Br MCULE-5586115628 [0,0,0,0,0,0|4,0,0]=4 173 B9R1.69 O=C1C=CC(=O)C(=C1)Cl MCULE-1579895781 [0,0,0,0,0,0|4,0,0]=4 174 B9R1.69 O=C1C=CC(=O)C(=C1)I MCULE-1220508693 [0,0,0,0,0,0|4,0,0]=4 175 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,0,0,0,0,0|1,1,2]=4 176 B9R1.69 O=C1N=C(C(=CN1)Br)Br MCULE-2653404573 [0,0,0,0,0,0|1,1,1]=3 177 B9R1.69 O=C1NC(=CC=C1Cl)Br MCULE-7002386572 [0,0,0,0,0,0|2,1,0]=3 178 B9R1.69 O=C1NC(=CC=C1Cl)Cl MCULE-9076841848 [0,0,0,0,0,0|2,1,0]=3 179 B9R1.69 O=C1NC(=CC=C1I)Cl MCULE-6248898641 [0,0,0,0,0,0|2,0,0]=2 180 B9R1.69 O=C1NC(=CC=C1O)Cl MCULE-7098135447 [0,0,0,0,0,0|3,0,0]=3 181 B9R1.69 O=C1NC(=CN=C1Cl)Br MCULE-5709550762 [0,0,0,0,0,0|3,1,0]=4 182 B9R1.69 O=C1NC(=NC=C1Cl)Cl MCULE-6600443230 [0,0,0,0,0,0|1,1,1]=3 183 B9R1.69 O=C1NC(=NC=C1F)Cl MCULE-8340050328 [0,0,0,0,0,0|1,1,1]=3 184 B9R1.69 O=C1NC(=NC=C1I)Cl MCULE-3863853934 [0,0,0,0,0,0|1,0,1]=2 185 B9R1.69 O=C1NC(=S)N=CC1F MCULE-3256673014 [0,0,0,0,0,0|0,2,2]=4 186 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [0,0,0,0,0,0|0,2,0]=2 187 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [0,0,0,0,0,0|0,1,0]=1 188 B9R1.69 O=C1NC=C(C(=O)N1)Br MCULE-6639028202 [0,0,0,0,0,0|0,1,0]=1 189 B9R1.69 O=C1NC=C(C(=O)N1)Cl MCULE-3005578323 [0,0,0,0,0,0|0,1,0]=1 190 B9R1.69 O=C1NC=C(C(=O)N1)F MCULE-6338086431 [0,0,0,0,0,0|0,1,0]=1 191 B9R1.69 O=C1NC=C(C(=O)N1)I MCULE-9099154084 [0,0,0,0,0,0|0,0,0]=0 192 B9R1.69 O=C1NC=C(C(=S)N1)F MCULE-5051283182 [0,0,0,0,0,0|0,2,0]=2 193 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,0,0,0,0,0|1,0,1]=2 194 B9R1.69 O=C1NCC(C(=O)N1)Br MCULE-1399084699 [0,0,0,0,0,0|0,1,2]=3 195 B9R1.69 O=C1NCC(C(=O)N1)Cl MCULE-3522626760 [0,0,0,0,0,0|0,1,2]=3 196 B9R1.69 O=C1NCC(C(=O)N1)F MCULE-3119054190 [0,0,0,0,0,0|0,1,2]=3 197 B9R1.69 O=C1NN=C(C(=O)N1)Br MCULE-9793204387 [0,0,0,0,0,0|1,1,0]=2 198 B9R1.69 O=C1NN=C(C(=O)N1)F MCULE-5496474813 [0,0,0,0,0,0|1,1,0]=2 199 B9R1.69 O=C1NN=C(C(=S)N1)Br MCULE-1298950946 [0,0,0,0,0,0|1,2,0]=3 200 B9R1.69 OC1=C(C=CC(=C1)Cl)I MCULE-5781287784 [0,0,0,0,0,0|3,0,1]=4 201 B9R1.69 OC1=C(C=CC(=N1)Br)I MCULE-4308292623 [0,0,0,0,0,0|2,0,2]=4 202 B9R1.69 OC1=CC(=C(C=C1)I)Br MCULE-1891754013 [0,0,0,0,0,0|3,0,1]=4 203 B9R1.69 OC1=CC(=C(C=C1)I)Cl MCULE-6681298710 [0,0,0,0,0,0|3,0,1]=4 204 B9R1.69 OC1=CC(=C(C=C1)I)I MCULE-3208381469 [0,0,0,0,0,0|3,0,1]=4 205 B9R1.69 OC1=CC(=CC=C1I)Br MCULE-4655914212 [0,0,0,0,0,0|3,0,1]=4 206 B9R1.69 OC1=CC(=CC=C1I)F MCULE-6056337613 [0,0,0,0,0,0|3,0,1]=4 207 B9R1.69 OC1=CC(=NC=C1I)Cl MCULE-1145285804 [0,0,0,0,0,0|2,0,2]=4 208 B9R1.69 OC1=CC(=NC=C1I)F MCULE-7272750666 [0,0,0,0,0,0|2,0,2]=4 209 B9R1.69 OC1=CC=C(C(=C1)F)I MCULE-3044643432 [0,0,0,0,0,0|3,0,1]=4 210 B9R1.69 OC1=NC(=C(C=C1)I)Br MCULE-4650419452 [0,0,0,0,0,0|2,0,2]=4 211 B9R1.69 OC1=NC(=C(C=C1)I)F MCULE-7064845949 [0,0,0,0,0,0|2,0,2]=4 212 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,0,0,0,0,0|2,0,2]=4 213 B8R1.3 BrC1=CC=C(C=C1)I MCULE-1833444746 [1,0,0,0,0,0|3,0,0]=4 214 B8R1.3 BrC1=CC=C(C=N1)I MCULE-8050695695 [1,0,0,0,0,0|2,0,1]=4 215 B8R1.3 BrC1=NC=C(C=N1)I MCULE-6960723219 [1,0,0,0,0,0|1,0,2]=4 216 B8R1.3 CC1=CC=C(C=C1)I MCULE-7374554905 [1,0,0,0,0,0|3,0,0]=4 217 B8R1.3 CC1=CNC(=O)C=N1 MCULE-2679502239 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.3 CC1=NC=C(C=C1)I MCULE-9162900393 [1,0,0,0,0,0|2,0,1]=4 219 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.3 ClC1=CC=C(C=C1)I MCULE-3776065149 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.3 ClC1=CC=C(C=N1)I MCULE-2094646156 [1,0,0,0,0,0|2,0,1]=4 222 B8R1.3 ClC1=NC=C(C=N1)I MCULE-3427827602 [1,0,0,0,0,0|1,0,2]=4 223 B8R1.3 FC1=CC=C(C=C1)I MCULE-5780496505 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.3 FC1=NC=C(C=C1)I MCULE-8505427972 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.3 FC1=NC=C(C=N1)I MCULE-6310719150 [1,0,0,0,0,0|1,0,2]=4 226 B8R1.3 IC1=CC=C(C=C1)I MCULE-2738381040 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.3 IC1=CC=C(N=C1)I MCULE-6105180962 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.3 N=C1C=CC(=NN1)I MCULE-1012925188 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.3 NC1=CC=C(C=C1)I MCULE-2783584230 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.3 NC1=CC=C(C=N1)I MCULE-7169435341 [1,0,0,0,0,0|2,0,1]=4 231 B8R1.3 NC1=CNC(=O)N=C1 MCULE-2442673142 [1,0,0,0,0,0|1,0,1]=3 232 B8R1.3 NC1=NC=C(C=N1)I MCULE-7421864009 [1,0,0,0,0,0|1,0,2]=4 233 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [1,0,0,0,0,0|1,1,0]=3 234 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [1,0,0,0,0,0|2,1,0]=4 235 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [1,0,0,0,0,0|2,1,0]=4 236 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [1,0,0,0,0,0|2,1,0]=4 237 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.3 O=C1C=NC(=CN1)F MCULE-6846208345 [1,0,0,0,0,0|2,1,0]=4 240 B8R1.3 O=C1C=NC(=CN1)I MCULE-6198334100 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.3 O=C1CC=C(C=N1)Br MCULE-7996644847 [1,0,0,0,0,0|1,1,1]=4 242 B8R1.3 O=C1N=CC(=CN1)Br MCULE-9370622613 [1,0,0,0,0,0|0,1,1]=3 243 B8R1.3 O=C1N=CC(=CN1)F MCULE-6016921664 [1,0,0,0,0,0|0,1,1]=3 244 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [1,0,0,0,0,0|1,0,1]=3 245 B8R1.3 OC1=CC=C(C=C1)I MCULE-3055280208 [1,0,0,0,0,0|2,0,1]=4 246 B8R1.3 OC1=NC=C(C=C1)I MCULE-7932759130 [1,0,0,0,0,0|1,0,2]=4 247 B8R1.3 OC1=NC=C(C=N1)I MCULE-3034673351 [1,0,0,0,0,0|0,0,3]=4 248 B8R1.3 S=C1N=CC(=CN1)Br MCULE-8961368283 [1,0,0,0,0,0|0,2,1]=4 249 B8R1.3 SC1=CC=C(C=C1)I MCULE-2858768310 [1,0,0,0,0,0|2,1,0]=4 250 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [1,0,0,0,0,0|2,0,0]=3 254 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [1,0,0,0,0,0|2,1,0]=4 255 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [1,0,0,0,0,0|2,0,1]=4 256 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [1,0,0,0,0,0|1,0,1]=3 257 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [1,0,0,0,0,0|2,0,1]=4 258 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [1,0,0,0,0,0|2,0,1]=4 259 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [1,0,0,0,0,0|1,0,1]=3 260 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [1,0,0,0,0,0|1,0,1]=3 261 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [1,0,0,0,0,0|1,0,1]=3 264 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [1,0,0,0,0,0|1,0,1]=3 265 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [1,0,0,0,0,0|2,0,1]=4 266 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [1,0,0,0,0,0|1,0,1]=3 267 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [1,0,0,0,0,0|2,0,1]=4 268 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [1,0,0,0,0,0|2,0,0]=3 269 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [1,0,0,0,0,0|2,0,0]=3 270 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [1,0,0,0,0,0|2,0,0]=3 276 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [1,0,0,0,0,0|2,0,0]=3 277 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [1,0,0,0,0,0|1,0,0]=2 278 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [1,0,0,0,0,0|1,0,0]=2 279 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [1,0,0,0,0,0|0,1,0]=2 280 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [1,0,0,0,0,0|2,0,0]=3 281 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [1,0,0,0,0,0|2,0,0]=3 282 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [1,0,0,0,0,0|1,0,2]=4 283 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [1,0,0,0,0,0|1,0,2]=4 284 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [1,0,0,0,0,0|0,0,2]=3 285 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,0,0,0,0,0|1,0,2]=4 286 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [1,0,0,0,0,0|2,0,1]=4 287 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [1,0,0,0,0,0|2,0,1]=4 288 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [1,0,0,0,0,0|2,0,1]=4 289 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [1,0,0,0,0,0|2,0,1]=4 290 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [1,0,0,0,0,0|1,0,1]=3 291 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [1,0,0,0,0,0|0,1,2]=4 292 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [1,0,0,0,0,0|1,0,0]=2 293 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [1,0,0,0,0,0|1,0,1]=3 294 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [1,0,0,0,0,0|1,1,0]=3 295 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [1,0,0,0,0,0|1,2,0]=4 296 B8R1.4 S=C1N=CC=C(N1)Cl MCULE-1741017791 [1,0,0,0,0,0|1,1,1]=4 297 B8R1.5 BrC1=C(C=CC=C1)I MCULE-7306916946 [1,0,0,0,0,0|3,0,0]=4 298 B8R1.5 BrC1=C(C=CC=N1)I MCULE-3253838413 [1,0,0,0,0,0|2,0,1]=4 299 B8R1.5 BrC1=C(C=NC=C1)I MCULE-7669449852 [1,0,0,0,0,0|2,0,1]=4 300 B8R1.5 BrC1=NC=NC=C1I MCULE-8901748260 [1,0,0,0,0,0|1,0,2]=4 301 B8R1.5 CC1=C(C=CC=C1)I MCULE-5226243046 [1,0,0,0,0,0|3,0,0]=4 302 B8R1.5 CC1=C(C=NC=C1)I MCULE-1396354752 [1,0,0,0,0,0|2,0,1]=4 303 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [1,0,0,0,0,0|2,0,0]=3 304 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [1,0,0,0,0,0|3,0,0]=4 305 B8R1.5 CC1=NC=CC=C1I MCULE-3708019579 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [1,0,0,0,0,0|3,0,0]=4 307 B8R1.5 CC1=NC=NC=C1I MCULE-3730052583 [1,0,0,0,0,0|1,0,2]=4 308 B8R1.5 ClC1=C(C=CC=C1)I MCULE-4108480113 [1,0,0,0,0,0|3,0,0]=4 309 B8R1.5 ClC1=C(C=CC=N1)I MCULE-6285447471 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.5 ClC1=C(C=NC=C1)I MCULE-5575016111 [1,0,0,0,0,0|2,0,1]=4 311 B8R1.5 ClC1=C(C=NC=C1)I MCULE-9791352762 [1,0,0,0,0,0|2,0,1]=4 312 B8R1.5 ClC1=NC=NC=C1I MCULE-7817212705 [1,0,0,0,0,0|1,0,2]=4 313 B8R1.5 FC1=C(C=CC=C1)I MCULE-3544608715 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.5 FC1=C(C=CC=N1)I MCULE-1288525202 [1,0,0,0,0,0|2,0,1]=4 315 B8R1.5 FC1=CC=CNC1=S MCULE-9261750723 [1,0,0,0,0,0|1,2,0]=4 316 B8R1.5 IC1=C(C=NC=C1)I MCULE-4119267094 [1,0,0,0,0,0|2,0,1]=4 317 B8R1.5 IC1=CC=CC=C1I MCULE-7490645115 [1,0,0,0,0,0|3,0,0]=4 318 B8R1.5 IC1=CC=CN=C1I MCULE-5782999415 [1,0,0,0,0,0|2,0,1]=4 319 B8R1.5 NC1=C(C=CC=C1)I MCULE-4959218514 [1,0,0,0,0,0|3,0,0]=4 320 B8R1.5 NC1=C(C=CC=N1)I MCULE-8558730203 [1,0,0,0,0,0|2,0,1]=4 321 B8R1.5 NC1=C(C=NC=C1)I MCULE-4911379889 [1,0,0,0,0,0|2,0,1]=4 322 B8R1.5 NC1=C(C=NC=N1)I MCULE-3641419401 [1,0,0,0,0,0|1,0,2]=4 323 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [1,0,0,0,0,0|2,0,0]=3 324 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [1,0,0,0,0,0|1,0,1]=3 326 B8R1.5 NC1=CN=CNC1=S MCULE-8218091036 [1,0,0,0,0,0|1,1,1]=4 327 B8R1.5 NC1=CNC=NC1=O MCULE-8037468633 [1,0,0,0,0,0|1,0,1]=3 328 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [1,0,0,0,0,0|3,0,0]=4 329 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [1,0,0,0,0,0|3,0,0]=4 330 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [1,0,0,0,0,0|2,0,1]=4 331 B8R1.5 O=C1N=CNC=C1O MCULE-7853986404 [1,0,0,0,0,0|1,0,1]=3 332 B8R1.5 O=C1NC=CN=C1Cl MCULE-6701443640 [1,0,0,0,0,0|2,1,0]=4 333 B8R1.5 O=C1NC=CNC1=O MCULE-2590826589 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.5 O=C1NC=NC=C1Br MCULE-1914932585 [1,0,0,0,0,0|0,1,1]=3 335 B8R1.5 O=C1NC=NC=C1Br MCULE-4797439815 [1,0,0,0,0,0|0,1,1]=3 336 B8R1.5 O=C1NC=NC=C1Br MCULE-8279175534 [1,0,0,0,0,0|0,1,1]=3 337 B8R1.5 O=C1NC=NC=C1O MCULE-6640057101 [1,0,0,0,0,0|1,0,1]=3 338 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [1,0,0,0,0,0|1,1,1]=4 339 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [1,0,0,0,0,0|1,1,1]=4 340 B8R1.5 O=C1NN=CC=C1Br MCULE-3017952463 [1,0,0,0,0,0|2,1,0]=4 341 B8R1.5 O=C1NN=CC=C1Br MCULE-7863801387 [1,0,0,0,0,0|2,1,0]=4 342 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [1,0,0,0,0,0|2,1,0]=4 343 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [1,0,0,0,0,0|3,0,0]=4 344 B8R1.5 OC1=C(C=CC=C1)I MCULE-3582520098 [1,0,0,0,0,0|2,0,1]=4 345 B8R1.5 OC1=C(C=CC=N1)I MCULE-8524037205 [1,0,0,0,0,0|1,0,2]=4 346 B8R1.5 OC1=C(C=NC=C1)I MCULE-1659547885 [1,0,0,0,0,0|1,0,2]=4 347 B8R1.5 OC1=C(C=NC=N1)I MCULE-1921724112 [1,0,0,0,0,0|0,0,3]=4 348 B10R1.22 CC1=C(C(=CC(=O)N1)O)C MCULE-3546454146 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.22 CC1=C(C(=O)NC(=N1)N)C MCULE-8017907361 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.22 CC1=C(C(=O)NC(=O)N1)Br MCULE-9555073495 [0,1,0,0,0,0|0,1,0]=2 351 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl MCULE-3888854401 [0,1,0,0,0,0|0,1,0]=2 352 B10R1.22 CC1=C(C(=O)NC(=O)N1)I MCULE-2631615338 [0,1,0,0,0,0|0,0,0]=1 353 B10R1.22 CC1=C(C(=O)NC(=O)N1)N MCULE-1788753048 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.22 CC1=C(C(=O)NC(=O)N1)O MCULE-7766529114 [0,1,0,0,0,0|1,0,0]=2 355 B10R1.22 CC1=C(C(=O)NC(=S)N1)C MCULE-7620589455 [0,1,0,0,0,0|1,1,0]=3 356 B10R1.22 CC1=C(N=C(NC1=O)S)N MCULE-1772199181 [0,1,0,0,0,0|1,1,1]=4 357 B10R1.22 CC1=C(NC(=O)C=C1O)Cl MCULE-2948701525 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.22 CC1=C(NC(=O)N=C1N)F MCULE-7465786440 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.22 CC1=C(NC(=O)NC1=O)Cl MCULE-9699231079 [0,1,0,0,0,0|1,0,0]=2 360 B10R1.22 CC1=C(NC(=O)NC1=O)N MCULE-3180991385 [0,1,0,0,0,0|1,0,0]=2 361 B10R1.22 CC1=CC(=C(C(=O)N1)C)O MCULE-2746434164 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.22 CC1=CC(=C(C(=O)N1)N)C MCULE-3042119773 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.22 CC1=CC(=O)C(=C(N1)C)C MCULE-7141390274 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.22 CC1=CC(=O)NC(=C1Br)C MCULE-3594651484 [0,1,0,0,0,0|2,1,0]=4 365 B10R1.22 CC1=CC(=O)NC(=O)N1C MCULE-4776814426 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.22 CC1=NC(=C(C(=O)N1)C)Cl MCULE-5900147720 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.22 CC1=NC(=C(C(=O)N1)C)O MCULE-6236682380 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.22 CC1=NC(=C(C(=O)N1)Cl)O MCULE-4468060310 [0,1,0,0,0,0|1,1,1]=4 369 B10R1.22 CC1=NC(=O)C(=C(N1)C)F MCULE-5714738648 [0,1,0,0,0,0|1,1,1]=4 370 B10R1.22 CC1=NC(=O)C(=C(N1)Cl)F MCULE-4647805655 [0,1,0,0,0,0|1,1,1]=4 371 B10R1.22 CC1=NC(=O)C(=C(N1)N)N MCULE-1678971295 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.22 CC1=NC(=O)C(=C(N1)O)F MCULE-5847090975 [0,1,0,0,0,0|1,1,1]=4 373 B10R1.22 CC1=NC(=O)NC(=C1Br)C MCULE-2601002419 [0,1,0,0,0,0|1,1,1]=4 374 B10R1.22 CC1C(=O)NC(=O)N=C1Cl MCULE-6395247321 [0,1,0,0,0,0|1,0,2]=4 375 B10R1.22 CC1C(=O)NC(=O)NC1=O MCULE-7961229332 [0,1,0,0,0,0|1,0,1]=3 376 B10R1.22 CN1C(=O)CC(=O)NC1=O MCULE-7478193411 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.22 CN1C(=O)CC(=O)NC1=S MCULE-8355052023 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.22 CN1C(=O)NC(=O)C=C1Cl MCULE-7825661987 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.22 CN1C(=O)NC(=O)C=C1N MCULE-3639154142 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.22 NC1=C(C(=O)NC(=O)N1)Br MCULE-8672880869 [0,1,0,0,0,0|0,1,0]=2 381 B10R1.22 NC1=C(C(=O)NC(=O)N1)I MCULE-7637696964 [0,1,0,0,0,0|0,0,0]=1 382 B10R1.22 NC1=C(C(=O)NC(=O)N1)N MCULE-4581359752 [0,1,0,0,0,0|1,0,0]=2 383 B10R1.22 NC1=C(C(=O)NC(=S)N1)N MCULE-2878751510 [0,1,0,0,0,0|1,1,0]=3 384 B10R1.22 NC1=C(C(=S)NC(=S)N1)N MCULE-1211544693 [0,1,0,0,0,0|1,2,0]=4 385 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)Br MCULE-4614433472 [0,1,0,0,0,0|1,1,1]=4 386 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)I MCULE-7938551164 [0,1,0,0,0,0|1,0,1]=3 387 B10R1.22 NC1C(=O)NC(=O)NC1=O MCULE-8127541765 [0,1,0,0,0,0|1,0,1]=3 388 B10R1.22 NC1C(=O)NC(=O)NC1=S MCULE-6414499413 [0,1,0,0,0,0|1,0,1]=3 389 B10R1.22 NC1NC(=O)NC(=O)C1I MCULE-7259635650 [0,1,0,0,0,0|0,0,2]=3 390 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Br MCULE-3569046173 [0,1,0,0,0,0|0,1,0]=2 391 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Cl MCULE-8068256823 [0,1,0,0,0,0|0,1,0]=2 392 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)I MCULE-4077077518 [0,1,0,0,0,0|0,0,0]=1 393 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 MCULE-9690188027 [0,1,0,0,0,0|1,0,0]=2 394 B10R1.22 O=C1NC(=O)C(C(=O)N1)Br MCULE-2631970050 [0,1,0,0,0,0|0,1,1]=3 395 B10R1.22 O=C1NC(=O)C(C(N1)O)F MCULE-8372362265 [0,1,0,0,0,0|0,1,2]=4 396 B10R1.22 [NH3+]C1=C(NC(=S)NC1=O)[O-] MCULE-2685623938 [0,1,0,0,0,0|1,1,0]=3 397 B10R1.25 C#CC1=CN=C(NC1=O)O MCULE-7896618548 [0,1,0,0,0,0|1,0,2]=4 398 B10R1.25 C#CC1=CNC(=O)N=C1N MCULE-5447625605 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.25 C=CC1=C(NC(=O)N=C1)N MCULE-5652210899 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.25 C=CC1=CNC(=O)NC1=O MCULE-6275433808 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.25 C=CN1C=CC(=O)NC1=O MCULE-2627357350 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.25 CC1=CC(=O)C(=CN1)C=O MCULE-2064396181 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.25 CC1=CC=C(C(=O)N1)C#N MCULE-8586842661 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-1957647342 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-2336990661 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-3359434666 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.25 CC1=NC(=O)C(=CN1)CO MCULE-6660169688 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.25 CCC1=CNC(=O)NC1=O MCULE-1403338036 [0,1,0,0,0,0|1,0,0]=2 409 B10R1.25 CCC1=CNC(=S)NC1=O MCULE-5198506906 [0,1,0,0,0,0|1,1,0]=3 410 B10R1.25 CCC1=NNC(=O)NC1=O MCULE-9997971509 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.25 CCC1=NNC(=S)NC1=O MCULE-5256392647 [0,1,0,0,0,0|2,1,0]=4 412 B10R1.25 CCN1C=CC(=O)NC1=O MCULE-5601838024 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.25 CNC1=CNC(=O)NC1=O MCULE-7197367879 [0,1,0,0,0,0|1,0,0]=2 414 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-1745121001 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-5399825497 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.25 COC1=CC=C(NC1=O)Br MCULE-3891884509 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.25 COC1=CNC(=O)C=C1Br MCULE-2073884860 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.25 CSC1=NNC(=O)NC1=O MCULE-9991928243 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.25 C[Se]C1=CNC(=O)NC1=O MCULE-7379851342 [0,1,0,0,0,0|1,0,0]=2 420 B10R1.25 N#CC1=CNC(=NC1=O)N MCULE-8682615876 [0,1,0,0,0,0|2,0,1]=4 421 B10R1.25 N#CC1=CNC(=O)N=C1N MCULE-6407322719 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.25 N#CC1=CNC(=O)NC1=O MCULE-9074750047 [0,1,0,0,0,0|1,0,0]=2 423 B10R1.25 N#CC1CNC(=O)NC1=O MCULE-7857002172 [0,1,0,0,0,0|1,0,2]=4 424 B10R1.25 NC1=C(C=NC(=O)N1)C=O MCULE-6459384186 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-3166341604 [0,1,0,0,0,0|1,0,0]=2 426 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-7365523007 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.25 NNC1=NNC(=O)NC1=O MCULE-1748748455 [0,1,0,0,0,0|2,0,0]=3 428 B10R1.25 O=C1N=CC(C(=O)N1)CO MCULE-7685633888 [0,1,0,0,0,0|1,0,2]=4 429 B10R1.25 O=C1NC(=CC=C1CO)Br MCULE-9560360292 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.25 O=C1NC=C(C(=O)N1)CCl MCULE-8124898362 [0,1,0,0,0,0|0,1,0]=2 431 B10R1.25 O=C1NC=C(C(=O)N1)CO MCULE-2866555326 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.25 O=C1NC=C(C(=O)N1)CS MCULE-1412623155 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.25 O=C1NN=C(C(=O)N1)CCl MCULE-9818168516 [0,1,0,0,0,0|1,1,0]=3 434 B10R1.30 CC1=CC(=C(C=C1)I)C=O MCULE-6167820797 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.30 CCC1=CC(=O)NC=C1Br MCULE-2982129770 [0,1,0,0,0,0|2,1,0]=4 436 B10R1.30 CNC1=C(C=NC(=O)N1)F MCULE-6418967238 [0,1,0,0,0,0|1,1,1]=4 437 B10R1.30 COC1=C(C=NC(=O)N1)F MCULE-5548248130 [0,1,0,0,0,0|0,1,2]=4 438 B10R1.30 COC1=NC(=O)NC=C1C MCULE-2235664193 [0,1,0,0,0,0|1,0,2]=4 439 B10R1.30 N#CC1=C(C=CC(=O)N1)Br MCULE-8533483310 [0,1,0,0,0,0|2,1,0]=4 440 B10R1.30 O=CC1=C(C=CC(=C1)Br)I MCULE-3378644540 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.30 O=CC1=C(C=CC(=C1)Cl)I MCULE-5225247724 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.30 O=CC1=C(C=CC(=C1)O)I MCULE-1244396324 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.30 O=CC1=CC(=CC=C1I)F MCULE-5546584340 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.63 CC1(CNC(=O)NC1=O)Br MCULE-5495395440 [0,1,0,0,0,0|0,1,2]=4 445 B10R1.63 CC1(CNC(=O)NC1=O)C MCULE-3142901801 [0,1,0,0,0,0|1,0,2]=4 446 B10R1.63 O=C1N=CC(C(=O)N1)(F)F MCULE-9287024406 [0,1,0,0,0,0|0,1,2]=4 447 B10R1.118 CC1=C(NC(=O)C(=C1)Br)C MCULE-9337338188 [0,1,0,0,0,0|2,1,0]=4 448 B10R1.118 CC1=C(NC(=O)C(=C1)N)C MCULE-8346394760 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.118 CC1=CC(=C(NC1=O)C)Br MCULE-6286229753 [0,1,0,0,0,0|2,1,0]=4 450 B10R1.118 CC1=CC(=O)C(=CN1C)O MCULE-3927125289 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.118 CC1=CC(=O)N(C=C1Br)C MCULE-9994263549 [0,1,0,0,0,0|2,1,0]=4 452 B10R1.118 CC1=CC(=O)N(C=C1N)C MCULE-3475563427 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.118 CC1=CN(C(=O)NC1=O)C MCULE-2359700701 [0,1,0,0,0,0|1,0,0]=2 454 B10R1.118 CC1=NN(C(=O)NC1=O)C MCULE-2065520759 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.118 CN1C=C(C(=CC1=O)Br)Cl MCULE-2657826391 [0,1,0,0,0,0|2,1,0]=4 456 B10R1.118 CN1C=C(C(=CC1=O)Br)F MCULE-2715772223 [0,1,0,0,0,0|2,1,0]=4 457 B10R1.118 CN1C=C(C(=CC1=O)Cl)Br MCULE-5096342981 [0,1,0,0,0,0|2,1,0]=4 458 B10R1.118 CN1C=C(C(=CC1=O)N)Br MCULE-7538545149 [0,1,0,0,0,0|2,1,0]=4 459 B10R1.118 CN1C=C(C(=CC1=O)N)Br MCULE-9385943306 [0,1,0,0,0,0|2,1,0]=4 460 B10R1.118 CN1C=C(C(=CC1=O)O)Cl MCULE-4494128866 [0,1,0,0,0,0|1,1,1]=4 461 B10R1.118 CN1C=C(C(=O)C=C1Cl)Br MCULE-8326139029 [0,1,0,0,0,0|2,1,0]=4 462 B10R1.118 CN1C=C(C(=O)C=C1Cl)Cl MCULE-5001080806 [0,1,0,0,0,0|2,1,0]=4 463 B10R1.118 CN1C=C(C(=O)NC1=O)Br MCULE-9797104008 [0,1,0,0,0,0|0,1,0]=2 464 B10R1.118 CN1C=C(C(=O)NC1=O)F MCULE-3423067623 [0,1,0,0,0,0|0,1,0]=2 465 B10R1.118 CN1C=C(C(=O)NC1=O)I MCULE-4446207931 [0,1,0,0,0,0|0,0,0]=1 466 B10R1.118 CN1C=C(C(=O)NC1=O)N MCULE-1839355087 [0,1,0,0,0,0|1,0,0]=2 467 B10R1.118 CN1CC(C(=O)NC1=O)Br MCULE-4213754102 [0,1,0,0,0,0|0,1,2]=4 468 B10R1.118 CN1NC(=O)C(=O)NC1=S MCULE-7588171087 [0,1,0,0,0,0|2,1,0]=4 469 B10R1.118 NC1=C(C=C(C(=O)N1)Br)Br MCULE-1214298892 [0,1,0,0,0,0|2,1,0]=4 470 B10R1.118 O=C1NC(=C(C=C1I)Br)Cl MCULE-2738289791 [0,1,0,0,0,0|2,0,0]=3 471 B10R1.119 CC1=C(C(=O)NC=C1Br)Cl MCULE-4882336590 [0,1,0,0,0,0|2,1,0]=4 472 B10R1.119 CC1=C(C(=O)NC=C1Cl)N MCULE-1151489999 [0,1,0,0,0,0|2,1,0]=4 473 B10R1.119 CC1=C(C(=O)NC=C1I)Br MCULE-8520366551 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.119 CC1=C(C=CC(=O)N1C)Br MCULE-1434092411 [0,1,0,0,0,0|2,1,0]=4 475 B10R1.119 CC1=CC=C(C(=O)N1C)Br MCULE-7217484539 [0,1,0,0,0,0|2,1,0]=4 476 B10R1.119 CC1=CC=C(C(=O)N1C)N MCULE-2787251761 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.119 CC1=CNC(=O)N(C1=O)C MCULE-4564406988 [0,1,0,0,0,0|1,0,0]=2 478 B10R1.119 CC1=NNC(=O)N(C1=O)N MCULE-1706514027 [0,1,0,0,0,0|2,0,0]=3 479 B10R1.119 CN1C(=O)C(=CC=C1Cl)Br MCULE-9134634892 [0,1,0,0,0,0|2,1,0]=4 480 B10R1.119 CN1C(=O)C(=CN=C1Cl)I MCULE-9284659903 [0,1,0,0,0,0|1,0,1]=3 481 B10R1.119 CN1C(=O)C(=CN=C1Cl)O MCULE-2398170450 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.119 CN1C(=O)C=CC(=C1Br)I MCULE-3891393834 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.119 CN1C(=O)C=CC(=C1Cl)Br MCULE-2237825821 [0,1,0,0,0,0|2,1,0]=4 484 B10R1.119 CN1C=CC(=O)N(C1=O)C MCULE-4521148024 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.176 CC1=CC(=CC=C1I)C=O MCULE-5326275281 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.176 CC1=CC=C(NC1=O)C#N MCULE-6219353422 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.176 CCC1=NC=C(C(=O)N1)Br MCULE-7563681422 [0,1,0,0,0,0|1,1,1]=4 488 B10R1.176 COC1=NC(=O)C(=CN1)F MCULE-7628449990 [0,1,0,0,0,0|0,1,2]=4 489 B10R1.176 CSC1=NC(=O)C(=CN1)Br MCULE-3439990803 [0,1,0,0,0,0|0,2,1]=4 490 B10R1.176 CSC1=NC=C(C(=O)N1)C MCULE-3824044842 [0,1,0,0,0,0|1,1,1]=4 491 B10R1.176 CSC1=NC=C(C(=O)N1)F MCULE-5448318358 [0,1,0,0,0,0|0,2,1]=4 492 B10R1.176 N#CC1=CC=C(C(=O)N1)Br MCULE-6963212893 [0,1,0,0,0,0|2,1,0]=4 493 B10R1.176 NNC1=NC=C(C(=O)N1)F MCULE-8206740592 [0,1,0,0,0,0|1,1,1]=4 494 B10R1.176 O=CC1=CC(=C(C=C1)I)Br MCULE-7201541120 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.176 O=CC1=CC(=C(C=C1)I)Cl MCULE-6717530321 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.176 O=CC1=CC(=C(C=C1)I)O MCULE-6199100243 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.176 O=CC1=CC(=O)C(=CN1)O MCULE-9904953554 [0,1,0,0,0,0|2,0,0]=3 498 B10R1.176 O=CC1=CC(=O)C(=CN1)O MCULE-9987658826 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.176 O=CC1=CC(=O)C(=CO1)O MCULE-5802100251 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.176 O=CC1=CC=C(C(=C1)F)I MCULE-8952435582 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,0,1,0,0,0|1,0,1]=3 502 B8R0.19 C=CC(=O)OC(=O)C=C MCULE-1424322113 [0,0,1,0,0,0|3,0,0]=4 503 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,0,1,0,0,0|0,1,2]=4 504 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,1,0,0,0|3,0,0]=4 505 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,0,1,0,0,0|1,0,2]=4 506 B8R0.23 CC(Cl)C(=O)NC(=O)N MCULE-9978866053 [0,0,1,0,0,0|0,1,2]=4 507 B8R1.18 BrC1=C(C=C(S1)I)I MCULE-8742379196 [0,0,0,0,1,0|3,0,0]=4 508 B8R1.18 BrC1=CC(=C(S1)I)I MCULE-2121711762 [0,0,0,0,1,0|3,0,0]=4 509 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,0,0,0,1,0|2,0,1]=4 510 B8R1.18 CC1=C(C=C(S1)Cl)I MCULE-4408481995 [0,0,0,0,1,0|3,0,0]=4 511 B8R1.18 CC1=C(NC(=N1)I)I MCULE-9282668797 [0,0,0,0,1,0|2,0,1]=4 512 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,0,0,0,1,0|2,0,0]=3 513 B8R1.18 CC1=C(NC(=S)N1)C MCULE-2671807084 [0,0,0,0,1,0|2,1,0]=4 514 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,0,0,0,1,0|3,0,0]=4 515 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,0,0,0,1,0|3,0,0]=4 516 B8R1.18 CC1=CC(=C(N1)C)Br MCULE-6941290548 [0,0,0,0,1,0|2,1,0]=4 517 B8R1.18 CC1=CC(=C(S1)C)I MCULE-2360641619 [0,0,0,0,1,0|3,0,0]=4 518 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,0,0,0,1,0|1,0,0]=2 519 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,0,0,0,1,0|3,0,0]=4 520 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,0,0,0,1,0|3,0,0]=4 521 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,0,0,0,1,0|2,0,0]=3 522 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,0,0,0,1,0|3,0,0]=4 523 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,0,0,0,1,0|1,0,2]=4 524 B8R1.18 CC1=NC(=C(N1)I)C MCULE-3278705123 [0,0,0,0,1,0|2,0,1]=4 525 B8R1.18 CC1=NC(=C(N1)I)I MCULE-5517130220 [0,0,0,0,1,0|2,0,1]=4 526 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,0,0,0,1,0|1,0,2]=4 527 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,0,0,0,1,0|2,0,1]=4 528 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,0,0,0,1,0|1,0,1]=3 529 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,0,0,0,1,0|2,0,1]=4 530 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,0,0,0,1,0|2,0,1]=4 531 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,0,0,0,1,0|1,1,1]=4 532 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,0,1,0|2,0,1]=4 533 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,0,0,0,1,0|2,0,1]=4 534 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,0,0,0,1,0|2,0,1]=4 535 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,0,0,0,1,0|3,0,0]=4 536 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,0,0,0,1,0|1,0,2]=4 537 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,0,0,0,1,0|1,0,1]=3 538 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,0,0,0,1,0|2,0,1]=4 539 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,0,0,0,1,0|2,0,1]=4 540 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,0,0,0,1,0|1,0,1]=3 541 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,0,0,0,1,0|2,0,1]=4 542 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,0,0,0,1,0|2,0,1]=4 543 B8R1.18 ClC1=CC(=C(S1)Cl)I MCULE-1332213449 [0,0,0,0,1,0|3,0,0]=4 544 B8R1.18 IC1=NC(=C(N1)I)I MCULE-6159662489 [0,0,0,0,1,0|2,0,1]=4 545 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,0,1,0|1,0,2]=4 546 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,0,1,0|1,0,2]=4 547 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,0,0,0,1,0|2,0,1]=4 548 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,0,0,0,1,0|2,0,1]=4 549 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,0,0,0,1,0|2,0,1]=4 550 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,0,1,0|1,0,2]=4 551 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,0,1,0|1,0,2]=4 552 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,0,1,0|1,0,2]=4 553 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,0,1,0|1,0,2]=4 554 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,0,0,0,1,0|0,1,0]=2 555 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,0,0,0,1,0|1,1,0]=3 556 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,0,0,0,1,0|0,1,2]=4 557 B8R1.18 O=C1N=C(NC1=O)S MCULE-9704398967 [0,0,0,0,1,0|1,1,1]=4 558 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,0,0,0,1,0|1,0,0]=2 559 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,0,0,0,1,0|0,1,1]=3 560 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,0,0,0,1,0|1,1,1]=4 561 B8R1.50 CC1=C(C(=NN1)I)C MCULE-7601750136 [0,0,0,0,1,0|3,0,0]=4 562 B8R1.50 CC1=C(C(=NN1)I)I MCULE-2215143291 [0,0,0,0,1,0|3,0,0]=4 563 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,0,0,0,1,0|2,0,1]=4 564 B8R1.50 CC1=C(C(=O)NN1)Br MCULE-1547416734 [0,0,0,0,1,0|3,0,0]=4 565 B8R1.50 CC1=C(C(=O)NN1)N MCULE-2893871378 [0,0,0,0,1,0|3,0,0]=4 566 B8R1.50 CC1=C(C(=O)NN1)N MCULE-8633976044 [0,0,0,0,1,0|3,0,0]=4 567 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,0,0,0,1,0|3,0,0]=4 568 B8R1.50 CC1=C(NN=C1I)Br MCULE-5152590763 [0,0,0,0,1,0|3,0,0]=4 569 B8R1.50 CC1=CNC(=C1C)C MCULE-1561607071 [0,0,0,0,1,0|3,0,0]=4 570 B8R1.50 [NH3+]C1=C(C(=O)NN1)N MCULE-6101059606 [0,0,0,0,1,0|3,0,0]=4 571 B10R1.330 O=C1CNC(=O)NC(=O)C1 MCULE-7213965794 [0,0,0,0,0,1|1,0,1]=3 572 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [1,0,1,0,0,0|1,0,0]=3 573 B7R0.4 C=CC=NNC(=O)N MCULE-6611985512 [1,0,1,0,0,0|2,0,0]=4 574 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [1,0,1,0,0,0|2,0,0]=4 575 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,1,0,0,0|2,0,0]=4 576 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,1,0,0,0|2,0,0]=4 577 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [1,0,1,0,0,0|2,0,0]=4 578 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,1,0,0,0|2,0,0]=4 579 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,1,0,0,0|1,0,1]=4 580 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [1,0,1,0,0,0|2,0,0]=4 581 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [1,0,1,0,0,0|0,0,0]=2 582 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [1,0,1,0,0,0|0,0,2]=4 583 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [1,0,1,0,0,0|1,0,1]=4 584 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [1,0,1,0,0,0|0,1,1]=4 585 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [1,0,1,0,0,0|0,1,1]=4 586 B7R1.3 IC1=CC=CC=C1 MCULE-7469705320 [2,0,0,0,0,0|2,0,0]=4 587 B7R1.3 IC1=CC=CN=C1 MCULE-7808525972 [2,0,0,0,0,0|1,0,1]=4 588 B7R1.3 IC1=CN=CN=C1 MCULE-8542082458 [2,0,0,0,0,0|0,0,2]=4 589 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [2,0,0,0,0,0|2,0,0]=4 590 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [2,0,0,0,0,0|1,0,1]=4 591 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [2,0,0,0,0,0|2,0,0]=4 592 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [2,0,0,0,0,0|1,0,1]=4 593 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [2,0,0,0,0,0|1,0,1]=4 595 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [2,0,0,0,0,0|2,0,0]=4 596 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [2,0,0,0,0,0|0,0,1]=3 597 B7R1.3 S=C1C=CNC=N1 MCULE-9568191260 [2,0,0,0,0,0|0,1,1]=4 598 B7R1.3 S=C1N=CC=CN1 MCULE-4888458372 [2,0,0,0,0,0|0,1,1]=4 599 B9R1.1 CCC1=CNC(=O)C=C1 MCULE-1841228387 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.1 N#CC1=CNC(=O)C=C1 MCULE-4402104286 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.1 N#CC1=CNC(=O)N=C1 MCULE-1527188279 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.1 N#CC1=CNC(=O)NC1 MCULE-2895626671 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.1 NCC1=CNC(=O)C=C1 MCULE-1151449929 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.1 O=CC1=CC=C(C=C1)I MCULE-2066225682 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.2 C#CC1=CC(=O)NC=C1 MCULE-6010931422 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2597053215 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2851617898 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.2 CNC1=NC(=O)NC=C1 MCULE-3945208648 [1,1,0,0,0,0|1,0,1]=4 610 B9R1.2 COC1=NC(=O)C=CN1 MCULE-4176859501 [1,1,0,0,0,0|0,0,2]=4 611 B9R1.2 CSC1=NC(=O)NC=C1 MCULE-1363527504 [1,1,0,0,0,0|0,1,1]=4 612 B9R1.2 CSC1=NC=CC(=O)N1 MCULE-9680690573 [1,1,0,0,0,0|0,1,1]=4 613 B9R1.2 N#CC1=CC=CC(=O)N1 MCULE-6957227798 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-1956502849 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-5081851358 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.2 NNC1=CC(=O)NC=C1 MCULE-2415812047 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 NNC1=NC(=O)NC=C1 MCULE-4281041312 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.2 NNC1=NC=CC(=O)N1 MCULE-5975983635 [1,1,0,0,0,0|1,0,1]=4 624 B9R1.2 O=C1C=C(C=CN1)CCl MCULE-8248663590 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.2 O=C1C=C(C=CN1)CO MCULE-2738457100 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.2 O=C1N=CC=C(N1)NO MCULE-5574799516 [1,1,0,0,0,0|0,0,2]=4 628 B9R1.2 O=CC1=CC(=O)NC=C1 MCULE-5001480578 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.2 O=CC1=CC=CC(=O)N1 MCULE-3898981854 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.3 CC1=C(C(=O)C=CN1)O MCULE-4746579757 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.3 CC1=C(C=CNC1=O)Br MCULE-3583219107 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.3 CC1=C(C=CNC1=O)O MCULE-7417449946 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.3 CN1C(=O)C=CC=C1Br MCULE-9204623492 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.3 CN1C(=O)C=CC=C1Cl MCULE-9231681198 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.3 CN1C(=O)C=CC=C1N MCULE-2055741339 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.3 CN1C(=O)C=CC=C1N MCULE-8809604678 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.3 CN1C(=O)C=CN=C1N MCULE-3426992585 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [1,1,0,0,0,0|0,0,0]=2 640 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [1,1,0,0,0,0|0,1,0]=3 641 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.3 CN1C(=O)N=CC=C1N MCULE-4228941810 [1,1,0,0,0,0|1,0,1]=4 643 B9R1.3 NC1=C(C(=O)NC=C1)I MCULE-3695102386 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.3 NC1=C(C(=O)NC=C1)N MCULE-5013092941 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.3 NN1C(=O)C=NNC1=S MCULE-2713167949 [1,1,0,0,0,0|1,1,0]=4 647 B9R1.3 O=C1N=CNC(=O)C1Br MCULE-4388547885 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.3 O=C1NC=CC(=C1Br)F MCULE-4137751133 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.3 O=C1NC=CC(=C1Br)O MCULE-3131067325 [1,1,0,0,0,0|1,0,1]=4 650 B9R1.3 O=C1NC=CC(=C1Cl)O MCULE-5493350533 [1,1,0,0,0,0|1,0,1]=4 651 B9R1.3 O=C1NC=CC(=C1F)I MCULE-5070253573 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.34 CC1=CC(=CC(=O)N1)Br MCULE-8208292456 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.34 CC1=CC(=CC(=O)N1)Cl MCULE-9615445068 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.34 CC1=CC(=CC(=O)N1)O MCULE-9810636783 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.34 CC1=CC(=NC(=O)N1)C MCULE-6623341819 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.34 CC1=CC(=O)C=C(N1)C MCULE-9549005978 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.34 CC1=CC(=O)N=C(N1)Cl MCULE-3386184434 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.34 CC1=CC(=O)NC(=C1)N MCULE-1738074769 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [1,1,0,0,0,0|0,1,0]=3 662 B9R1.34 CC1=CC(=O)OC(=O)N1 MCULE-4319728701 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.34 CC1=NC(=CC(=O)N1)N MCULE-8442084767 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [1,1,0,0,0,0|0,0,2]=4 665 B9R1.34 NC1=CC(=CC(=O)N1)O MCULE-5663243183 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.34 NC1=CC(=O)NC(=C1)F MCULE-1710027350 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.34 NC1=CC(=O)NC(=C1)O MCULE-3882042487 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.34 NC1=CC(=O)NC(=N1)Cl MCULE-6120131493 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.34 NC1=CC(=O)NC(=N1)N MCULE-5011664599 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.34 NC1=NC(=CC(=O)N1)Cl MCULE-7901887440 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.34 NC1=NC(=CC(=O)N1)F MCULE-6215319582 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-1890918637 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-3508827707 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.34 NC1=NC(=O)NC(=C1)F MCULE-8549659767 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.34 O=C1C=C(C=C(N1)Cl)Br MCULE-8632612031 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.34 O=C1C=C(C=C(N1)Cl)Cl MCULE-1887146487 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.34 O=C1C=C(C=C(N1)O)I MCULE-8256519601 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.34 O=C1C=C(NC(=O)N1)Br MCULE-3840650924 [1,1,0,0,0,0|0,0,0]=2 680 B9R1.34 O=C1C=C(NC(=O)N1)Cl MCULE-2281590199 [1,1,0,0,0,0|0,0,0]=2 681 B9R1.34 O=C1C=C(NC(=O)N1)F MCULE-4457115383 [1,1,0,0,0,0|0,0,0]=2 682 B9R1.34 O=C1C=C(NC(=O)N1)I MCULE-4986004483 [1,1,0,0,0,0|0,0,0]=2 683 B9R1.34 O=C1CC(=NC(=O)N1)[O-] MCULE-5852182390 [1,1,0,0,0,0|0,0,2]=4 684 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [1,1,0,0,0,0|0,0,1]=3 685 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [1,1,0,0,0,0|0,1,1]=4 686 B9R1.34 O=C1N=C(C=C(N1)Cl)Cl MCULE-4885987307 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.34 O=C1N=C(NC(=O)N1)Cl MCULE-5015398867 [1,1,0,0,0,0|1,0,0]=3 688 B9R1.15 C=CC1=CC=CNC1=O MCULE-9861743976 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 COC1=CC=CNC1=O MCULE-1104931579 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.15 COC1=CC=CNC1=O MCULE-3466893667 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.15 COC1=CNC=NC1=O MCULE-1300174224 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.15 N#CC1=CC=CNC1=O MCULE-3971639231 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 N#CC1=CNC=CC1=O MCULE-5038874257 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.15 NCC1=CC=CNC1=O MCULE-6248076104 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.15 O=CC1=C(C=CC=C1)I MCULE-9295463863 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.15 O=CC1=CC=CNC1=O MCULE-7147009073 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.22 CC1=CC(=C(N1)C=O)C MCULE-3691169080 [0,1,0,0,1,0|2,0,0]=4 699 B9R1.22 CCC1=C(NC(=O)N1)C MCULE-1852773802 [0,1,0,0,1,0|2,0,0]=4 700 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [0,1,0,0,1,0|1,0,1]=4 701 B9R1.22 COC1=CC(=O)OC1=O MCULE-3106776074 [0,1,0,0,1,0|2,0,0]=4 702 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,1,0,0,1,0|1,0,1]=4 703 B9R1.22 O=C1C=C(C(=O)O1)CBr MCULE-4178564988 [0,1,0,0,1,0|1,1,0]=4 704 B9R1.22 O=C1NC(=O)/C(=C\Br)/N1 MCULE-7888734075 [0,1,0,0,1,0|0,1,0]=3 705 B9R1.22 O=C1NC(=O)C(=CBr)N1 MCULE-4118151888 [0,1,0,0,1,0|0,1,0]=3 706 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [0,1,0,0,1,0|1,0,1]=4 707 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [0,1,0,0,1,0|1,0,1]=4 708 B9R1.22 O=CC1=C(NC(=O)S1)Cl MCULE-4588050701 [0,1,0,0,1,0|1,1,0]=4 709 B9R1.23 CC1=C(NC(=C1)C=O)C MCULE-6603102591 [0,1,0,0,1,0|2,0,0]=4 710 B9R1.23 CC1=C/C(=N\O)/NC1=O MCULE-4857085921 [0,1,0,0,1,0|1,0,1]=4 711 B9R1.23 O=CC1=CC(=C(N1)Br)Br MCULE-8863769532 [0,1,0,0,1,0|1,1,0]=4 712 B9R1.36 O=C1NS(=O)(=O)NC1=O MCULE-6405396273 [0,1,0,0,1,0|2,0,0]=4 713 B9R1.37 CC1=C(C(=O)OC1=O)Br MCULE-4236448899 [0,1,0,0,1,0|1,1,0]=4 714 B9R1.37 CC1=C(C(=O)OC1=O)C MCULE-9372782914 [0,1,0,0,1,0|2,0,0]=4 715 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,1,0,0,1,0|2,0,0]=4 716 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,1,0,0,1,0|2,0,0]=4 717 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,1,0,0,1,0|1,0,0]=3 718 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,1,0,0,1,0|1,0,0]=3 719 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,1,0,0,1,0|1,0,1]=4 720 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,1,0,0,1,0|1,0,1]=4 721 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,1,0,0,1,0|0,1,0]=3 722 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,1,0,0,1,0|1,0,0]=3 723 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,1,0,0,1,0|1,0,0]=3 724 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,1,0,0,1,0|1,0,1]=4 725 B9R1.37 IC1=C(C(=C(N1)I)I)I MCULE-6990037477 [0,1,0,0,1,0|2,0,0]=4 726 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [0,1,0,0,1,0|1,0,0]=3 727 B9R1.37 O=C1CC(=O)C(=C1Cl)Cl MCULE-2441107407 [0,1,0,0,1,0|1,1,0]=4 728 B9R1.37 O=C1NC(=O)C(=C1Br)Br MCULE-9909317409 [0,1,0,0,1,0|0,1,0]=3 729 B9R1.37 O=C1NC(=O)C(=C1Cl)Cl MCULE-3248050786 [0,1,0,0,1,0|0,1,0]=3 730 B9R1.37 O=C1OC(=O)C(=C1Br)Br MCULE-7801791381 [0,1,0,0,1,0|1,1,0]=4 731 B9R1.37 O=C1OC(=O)C(=C1Cl)Cl MCULE-3675808148 [0,1,0,0,1,0|1,1,0]=4 732 B9R1.37 O=C1OC(=O)C(=C1F)F MCULE-6538599714 [0,1,0,0,1,0|1,1,0]=4 733 B9R1.37 O=C1SC(=O)C(=C1Cl)Cl MCULE-4755150756 [0,1,0,0,1,0|1,1,0]=4 734 B9R1.38 CC1(NC(=O)NC1=O)C MCULE-9870409973 [0,1,0,0,1,0|1,0,1]=4 735 B9R1.132 CC1=CNC(=C1C)C=O MCULE-7307591897 [0,1,0,0,1,0|2,0,0]=4 736 B11R1.8 CC1=C(NC(=O)NC1=O)CCl MCULE-8748721239 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.8 CC1=C(NC(=O)NC1=O)CO MCULE-2105308817 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.8 NC1=C(NC(=O)NC1=O)N=O MCULE-6121726165 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.8 O=C1NC(=O)C(=C(N1)CCl)Cl MCULE-2767621981 [0,2,0,0,0,0|0,1,0]=3 740 B11R1.8 O=C1NC(=O)C(=C(N1)CO)O MCULE-8946189974 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.14 CSC1=NC(=C(C(=O)N1)I)C MCULE-8355842190 [0,2,0,0,0,0|0,1,1]=4 742 B11R1.14 CSC1=NC(=C(C(=O)N1)I)Cl MCULE-1148963707 [0,2,0,0,0,0|0,1,1]=4 743 B11R1.32 CC1=C(N(C(=O)NC1=O)C)Br MCULE-6334969144 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-3130212976 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-7800528537 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.32 CC1=CN(C(=O)N(C1=O)C)C MCULE-5441537726 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.32 CN1C(=O)NC(=C(C1=O)Cl)Cl MCULE-6608613468 [0,2,0,0,0,0|0,1,0]=3 748 B11R1.32 CN1C(=O)NC(=C(C1=O)N)N MCULE-6292306510 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.32 CN1C(=O)NC(=O)C(=C1N)Br MCULE-9632547087 [0,2,0,0,0,0|0,1,0]=3 750 B11R1.32 CN1C(=O)NC(=O)C(=C1N)N MCULE-1843362847 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.32 CN1C(=O)NC(=O)C(=C1[O-])[NH3+] MCULE-3669749545 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.32 CN1C(=O)NC(=O)N(C1=O)C MCULE-6595211067 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.32 CN1C(=S)NC(=O)C(=C1N)N MCULE-9863179419 [0,2,0,0,0,0|1,1,0]=4 754 B11R1.32 CN1C=C(C(=O)N(C1=O)C)Br MCULE-7108653216 [0,2,0,0,0,0|0,1,0]=3 755 B11R1.32 CN1C=C(C(=O)N(C1=O)C)Cl MCULE-5291463728 [0,2,0,0,0,0|0,1,0]=3 756 B11R1.32 CN1C=C(C(=O)N(C1=O)C)F MCULE-2659877221 [0,2,0,0,0,0|0,1,0]=3 757 B11R1.32 CN1C=C(C(=O)N(C1=O)C)I MCULE-3611872190 [0,2,0,0,0,0|0,0,0]=2 758 B11R1.32 CN1C=C(C(=O)N(C1=O)C)N MCULE-3031672548 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.32 CN1C=C(C(=O)N(C1=O)C)N MCULE-8437637535 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.32 CN1C=C(C(=O)N(C1=O)C)O MCULE-3762331050 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.32 CN1N=C(C(=O)N(C1=O)C)Br MCULE-1406388871 [0,2,0,0,0,0|1,1,0]=4 762 B11R1.32 CN1N=C(C(=O)N(C1=O)C)N MCULE-5456147723 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.32 O=C1NC(=O)N(C(=O)N1Br)Br MCULE-3230631991 [0,2,0,0,0,0|1,1,0]=4 764 B11R1.32 O=C1NC(=O)N(C(=O)N1Cl)Cl MCULE-1506706385 [0,2,0,0,0,0|1,1,0]=4 765 B11R1.325 O=C1NC(=O)C(=O)C(N1)(O)O MCULE-4768389690 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.464 CC1=C(C(=O)NC(=O)N1)C#N MCULE-7141137597 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.464 CC1=C(C(=O)NC(=O)N1)C=O MCULE-8837004520 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.464 CC1=C(C(=O)NC(=O)N1)CBr MCULE-8120864612 [0,2,0,0,0,0|0,1,0]=3 769 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-3036586197 [0,2,0,0,0,0|1,0,0]=3 770 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-9277898866 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.464 CCC1=C(NC(=O)NC1=O)Cl MCULE-4326893586 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.464 CCC1C(=O)NC(=O)NC1=O MCULE-8814164989 [0,2,0,0,0,0|1,0,1]=4 773 B11R1.464 NC1=C(C(=O)NC(=O)N1)C=O MCULE-1496612859 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.464 NC=C1C(=O)NC(=O)NC1=O MCULE-1330083153 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.464 O=C1NC(=O)C(=NO)C(=O)N1 MCULE-7138709364 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.464 O=C1NC(=S)NC(=O)C1=NO MCULE-4474864402 [0,2,0,0,0,0|1,1,0]=4 777 B11R1.464 O=CC1C(=O)NC(=O)NC1=O MCULE-3411679664 [0,2,0,0,0,0|1,0,1]=4 778 B11R1.553 CC1(C(=O)NC(=O)NC1=O)C MCULE-6485766357 [0,2,0,0,0,0|1,0,1]=4 779 B11R1.553 O=C1NC(=O)C(C(=O)N1)(Br)Br MCULE-8346351406 [0,2,0,0,0,0|0,1,1]=4 780 B11R1.553 O=C1NC(=O)C(C(=O)N1)(F)F MCULE-6947611615 [0,2,0,0,0,0|0,1,1]=4 781 B11R1.553 O=C1NC(=O)C(C(=O)N1)(O)O MCULE-6660159645 [0,2,0,0,0,0|1,0,1]=4 782 B11R1.81 CC#CC1=CNC(=O)NC1=O MCULE-8358817835 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.81 CC=CC1=CNC(=O)NC1=O MCULE-4721530440 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.81 CCCC1=CNC(=O)NC1=O MCULE-8394981937 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.81 CCCC1=CNC(=S)NC1=O MCULE-2990631990 [0,2,0,0,0,0|1,1,0]=4 786 B11R1.81 N#CSC1=CNC(=O)NC1=O MCULE-9970752556 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.81 NCCC1=CNC(=O)NC1=O MCULE-3530218801 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.81 O=C1NC=C(C(=O)N1)C=CBr MCULE-8691433423 [0,2,0,0,0,0|0,1,0]=3 789 B11R1.81 O=C1NC=C(C(=O)N1)CCBr MCULE-6227911247 [0,2,0,0,0,0|0,1,0]=3 790 B11R1.81 O=CNC1=CNC(=O)NC1=O MCULE-2332240580 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.166 CC(=O)C1=CNC(=O)NC1=O MCULE-1649935554 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.166 CC(C)C1=CNC(=O)NC1=O MCULE-3947572766 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.166 CN(C)C1=CNC(=O)NC1=O MCULE-4069013031 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.166 NC(=O)C1=CNC(=S)NC1=O MCULE-4921249657 [0,2,0,0,0,0|1,1,0]=4 795 B11R1.166 O=C(O)C1=CNC(=S)NC1=O MCULE-9382232313 [0,2,0,0,0,0|1,1,0]=4 796 B11R1.166 O=C1C=CC(=C(O)O)C(=O)N1 MCULE-9157421658 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.166 O=C1NC=C(C(=O)N1)B(O)O MCULE-8246711181 [0,2,0,0,0,0|1,0,0]=3 798 B11R1.166 O=C1NC=C(C(=O)N1)N(=O)=O MCULE-2585658755 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.166 O=C1NN=C(C(=O)N1)N(=O)=O MCULE-5318888276 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.277 CC1=C(C=C(C(=O)N1)C#N)I MCULE-6305739448 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.277 CN1C=C(C(=O)NC1=O)C#N MCULE-7145262827 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.277 CN1C=C(C(=O)NC1=O)CN MCULE-1884366258 [0,2,0,0,0,0|1,0,0]=3 803 B11R1.277 CN1C=C(C(=O)NC1=O)CN MCULE-6995014333 [0,2,0,0,0,0|1,0,0]=3 804 B11R1.278 CCC1=NNC(=O)N(C1=O)N MCULE-5795926485 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.278 CN1C(=O)NC=C(C1=O)C#N MCULE-1234747754 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.167 O=C1C=C(C(=CN1)Br)C(=O)O MCULE-5737352913 [0,2,0,0,0,0|1,1,0]=4 807 B11R1.167 O=C1C=CC(=C(N1)C(=O)O)F MCULE-7084782558 [0,2,0,0,0,0|1,1,0]=4 808 B11R1.21 CC1=CC=C(NC1=O)C(=O)O MCULE-6187964907 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.21 O=C(O)C1=CC(=O)C(=CN1)O MCULE-7068244192 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.21 O=C(O)C1=CC=C(C(=O)N1)Cl MCULE-7545589568 [0,2,0,0,0,0|1,1,0]=4 811 B11R1.21 O=C(O)C1=CC=C(C(=O)N1)O MCULE-5144413741 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.6 NC(=O)C1=CNC=CC1 MCULE-5235252463 [0,0,1,1,0,0|2,0,0]=4 813 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,1,1,0,0|2,0,0]=4 814 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,1,1,0,0|2,0,0]=4 815 B7R1.2 CC1=CC(=NN1)I MCULE-9212614137 [1,0,0,0,1,0|2,0,0]=4 816 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,0,0,0,1,0|2,0,0]=4 817 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,0,0,0,1,0|2,0,0]=4 818 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,0,0,0,1,0|1,0,0]=3 819 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,0,0,0,1,0|2,0,0]=4 820 B7R1.2 CC1=NC(=CN1)I MCULE-3668066625 [1,0,0,0,1,0|1,0,1]=4 821 B7R1.2 IC1=CN=C(N1)I MCULE-6439751886 [1,0,0,0,1,0|1,0,1]=4 822 B7R1.2 NC1=CC(=NN1)I MCULE-3510408493 [1,0,0,0,1,0|2,0,0]=4 823 B7R1.2 NC1=CC(=NN1)I MCULE-4663040995 [1,0,0,0,1,0|2,0,0]=4 824 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [1,0,0,0,1,0|2,0,0]=4 825 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [1,0,0,0,1,0|2,0,0]=4 826 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [1,0,0,0,1,0|1,0,1]=4 827 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,0,0,0,1,0|0,1,1]=4 828 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,0,1,0|1,0,1]=4 829 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [1,0,0,0,1,0|1,1,0]=4 830 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,0,0,0,1,0|2,0,0]=4 831 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,0,1,0|1,0,1]=4 832 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,0,0,0,1,0|2,0,0]=4 833 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [1,0,0,0,1,0|1,1,0]=4 834 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,0,0,0,1,0|1,0,1]=4 835 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [1,0,0,0,1,0|1,1,0]=4 836 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [1,0,0,0,1,0|1,1,0]=4 837 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,0,0,0,1,0|2,0,0]=4 838 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,0,1,0|2,0,0]=4 839 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [1,0,0,0,1,0|2,0,0]=4 840 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [1,0,0,0,1,0|2,0,0]=4 841 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,0,0,0,1,0|2,0,0]=4 842 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,0,0,0,1,0|2,0,0]=4 843 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [1,0,0,0,1,0|2,0,0]=4 844 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [1,0,0,0,1,0|2,0,0]=4 845 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [1,0,0,0,1,0|0,0,2]=4 846 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,0,0,0,2,0|1,0,0]=3 847 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,0,0,0,2,0|1,0,0]=3 848 B9R0.53 NC(=O)NC(=O)NC(=O)N MCULE-9269358670 [0,0,1,0,0,1|2,0,0]=4