0 B17R3.31 Oc1ccc2c(c1)ccc3c2cccc3 271570a_203496583355_100010174298 [0,1,0,0,0,0|2,0,0]=3 1 B17R3.31 Oc1cnc2c(c1)ccc3c2nccc3 271570a_203496583355_100010188720 [0,1,0,0,0,0|0,0,0]=1 2 B17R3.4465 Oc1ccnc2c1ccc3c2nccc3 271570a_203496583355_100010235877 [0,1,0,0,0,0|0,0,0]=1 3 B17R3.18998 Oc1ccc2ccc3ccccc3c2c1 271570a_203496583355_100010175977 [0,1,0,0,0,0|2,0,0]=3 4 B17R3.18998 Oc1ccc2ccc3cccnc3c2n1 271570a_203496583355_100000037118 [0,1,0,0,0,0|0,0,0]=1 5 B17R3.54615 Oc1cc2ccccc2c3c1cccc3 271570a_203496583355_100009813645 [0,1,0,0,0,0|2,0,0]=3 6 B17R3.54615 Oc1cc2cccnc2c3c1cccc3 271570a_203496583355_100050056114 [0,1,0,0,0,0|1,0,0]=2 7 B17R3.54615 Oc1cc2cccnc2c3c1cccn3 271570a_203496583355_100009991584 [0,1,0,0,0,0|0,0,0]=1 8 B17R3.54615 Oc1nc2ccccc2c3c1cccc3 271570a_203496583355_100000028652 [0,1,0,0,0,0|3,0,0]=4 9 B15R2.21 C#Cc1ccccc1c2ccccn2 271570a_100000099761_100011216584 [0,0,1,0,0,0|1,0,2]=4 10 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100000037480_100000210277 [0,0,1,0,0,0|2,0,0]=3 11 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100011290941_100000033479 [0,0,1,0,0,0|2,0,0]=3 12 B15R2.21 C=Cc1ccccc1c2ccccn2 271570a_100000037480_100011216584 [0,0,1,0,0,0|1,0,0]=2 13 B15R2.21 C=Cc1ccccc1c2ccccn2 271570a_100011290941_100010202516 [0,0,1,0,0,0|1,0,0]=2 14 B15R2.21 C=Cc1ccccc1c2cccnc2 271570a_100000037480_100000752921 [0,0,1,0,0,0|3,0,0]=4 15 B15R2.21 C=Cc1ccccc1c2cccnn2 271570a_100000037480_100016991348 [0,0,1,0,0,0|2,0,0]=3 16 B15R2.21 C=Cc1ccccc1c2ccncc2 271570a_100000037480_100000035832 [0,0,1,0,0,0|3,0,0]=4 17 B15R2.21 C=Cc1ccccc1c2ccncc2 271570a_100011290941_100010154595 [0,0,1,0,0,0|3,0,0]=4 18 B15R2.21 C=Cc1ccccc1c2ccncn2 271570a_100000037480_100000703185 [0,0,1,0,0,0|2,0,0]=3 19 B15R2.21 C=Cc1ccccc1c2cnccn2 271570a_100000037480_100000758340 [0,0,1,0,0,0|2,0,0]=3 20 B15R2.21 C=Cc1ccccc1c2ncccn2 271570a_100000037480_100000211032 [0,0,1,0,0,0|2,0,0]=3 21 B15R2.21 C=Cc1cccnc1c2ccccc2 271570a_100011290941_100010138707 [0,0,1,0,0,0|1,0,0]=2 22 B15R2.21 C=Cc1cnccc1c2ccccc2 271570a_100011290941_100009816686 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.21 C=Cc1cncnc1c2ccccc2 271570a_100011290941_200009816525 [0,0,1,0,0,0|2,0,0]=3 24 B15R2.21 CCc1ccccc1c2ccccn2 271570a_100011216252_100011216584 [0,0,1,0,0,0|1,0,2]=4 25 B15R2.21 CCc1ccccc1c2ccccn2 271570a_100011264011_100011215823 [0,0,1,0,0,0|1,0,2]=4 26 B15R2.21 CCc1cncnc1c2ccccn2 271570a_100011264011_200000100055 [0,0,1,0,0,0|1,0,2]=4 27 B15R2.21 CCc1nccnc1c2ccccn2 271570a_100011264011_100011995844 [0,0,1,0,0,0|1,0,2]=4 28 B15R2.21 CNc1ccccc1c2ccccn2 271570a_100011264011_100020606079 [0,0,1,0,0,0|2,0,1]=4 29 B15R2.21 CNc1cccnc1c2ccccc2 271570a_100011218836_200011806188 [0,0,1,0,0,0|2,0,1]=4 30 B15R2.21 CNc1cccnc1c2ccccc2 27a_100102657272_100010138707 [0,0,1,0,0,0|2,0,1]=4 31 B15R2.21 CNc1cccnc1c2ccccn2 271570a_100011264011_200011806188 [0,0,1,0,0,0|1,0,1]=3 32 B15R2.21 CNc1cccnc1c2cnccn2 271570a_100011962566_200011806188 [0,0,1,0,0,0|2,0,1]=4 33 B15R2.21 CNc1nccnc1c2ccccn2 271570a_100011264011_100011529439 [0,0,1,0,0,0|2,0,1]=4 34 B15R2.21 COc1ccccc1c2ccccn2 271570a_100000756652_100011216584 [0,0,1,0,0,0|2,0,1]=4 35 B15R2.21 COc1ccccc1c2ccccn2 271570a_100011264011_100000174000 [0,0,1,0,0,0|2,0,1]=4 36 B15R2.21 COc1ccccc1c2ccccn2 34a_100012186605_200000210301 [0,0,1,0,0,0|2,0,1]=4 37 B15R2.21 COc1ccccc1c2ccccn2 7a_100012186605_200000210301 [0,0,1,0,0,0|2,0,1]=4 38 B15R2.21 COc1cccnc1c2ccccc2 271570a_100011218836_100000690851 [0,0,1,0,0,0|2,0,1]=4 39 B15R2.21 COc1cccnc1c2ccccc2 34a_100011996219_200000210301 [0,0,1,0,0,0|2,0,1]=4 40 B15R2.21 COc1cccnc1c2ccccc2 7a_100011996219_200000210301 [0,0,1,0,0,0|2,0,1]=4 41 B15R2.21 COc1cccnc1c2ccccn2 271570a_100011264011_100000690851 [0,0,1,0,0,0|1,0,1]=3 42 B15R2.21 COc1cccnc1c2cnccn2 271570a_100011962566_100000690851 [0,0,1,0,0,0|2,0,1]=4 43 B15R2.21 COc1cncnc1c2ccccn2 271570a_100011264011_100012001275 [0,0,1,0,0,0|2,0,1]=4 44 B15R2.21 COc1nccnc1c2ccccn2 271570a_100011264011_100000749998 [0,0,1,0,0,0|2,0,1]=4 45 B15R2.21 CSc1ccccc1c2ccccn2 271570a_100011218165_100011216584 [0,0,1,0,0,0|2,0,1]=4 46 B15R2.21 CSc1ccccc1c2ccccn2 271570a_100011264011_100011217816 [0,0,1,0,0,0|2,0,1]=4 47 B15R2.21 CSc1ccccc1c2ccccn2 62a_100010202516_200000210301 [0,0,1,0,0,0|2,0,1]=4 48 B15R2.21 CSc1ccccc1c2ccccn2 62a_200000210301_100010202516 [0,0,1,0,0,0|2,0,1]=4 49 B15R2.21 CSc1cccnc1c2ccccc2 62a_100010138707_200000210301 [0,0,1,0,0,0|2,0,1]=4 50 B15R2.21 CSc1cccnc1c2ccccc2 62a_200000210301_100010138707 [0,0,1,0,0,0|2,0,1]=4 51 B15R2.21 N#Cc1ccccc1c2ccccn2 271570a_100000043008_100011216584 [0,0,1,0,0,0|2,0,1]=4 52 B15R2.21 N#Cc1ccccc1c2ccccn2 271570a_100011264011_100000188569 [0,0,1,0,0,0|2,0,1]=4 53 B15R2.21 N#Cc1cccnc1c2ccccc2 271570a_100011218836_100000211984 [0,0,1,0,0,0|2,0,1]=4 54 B15R2.21 N#Cc1cccnc1c2ccccn2 271570a_100011264011_100000211984 [0,0,1,0,0,0|1,0,1]=3 55 B15R2.21 N#Cc1cccnc1c2cnccn2 271570a_100011962566_100000211984 [0,0,1,0,0,0|2,0,1]=4 56 B15R2.21 N#Cc1ccnnc1c2ccccn2 271570a_100011264011_100000100742 [0,0,1,0,0,0|2,0,1]=4 57 B15R2.21 N#Cc1cncnc1c2ccccn2 271570a_100011264011_100000687955 [0,0,1,0,0,0|2,0,1]=4 58 B15R2.21 N#Cc1nccnc1c2ccccn2 271570a_100011264011_100000040484 [0,0,1,0,0,0|2,0,1]=4 59 B15R2.21 NCc1ccccc1c2ccccn2 271570a_100011264011_100000689332 [0,0,1,0,0,0|2,0,1]=4 60 B15R2.21 NCc1ccccc1c2ccccn2 271570a_100020632975_100011216584 [0,0,1,0,0,0|2,0,1]=4 61 B15R2.21 NCc1cccnc1c2ccccc2 271570a_100011218836_100015189234 [0,0,1,0,0,0|2,0,1]=4 62 B15R2.21 NCc1cccnc1c2ccccn2 271570a_100011264011_100015189234 [0,0,1,0,0,0|1,0,1]=3 63 B15R2.21 NCc1cccnc1c2cnccn2 271570a_100011962566_100015189234 [0,0,1,0,0,0|2,0,1]=4 64 B15R2.21 NCc1nccnc1c2ccccn2 271570a_100011264011_100000729963 [0,0,1,0,0,0|2,0,1]=4 65 B15R2.21 NNc1ccccc1c2ccccn2 271570a_100011264011_100000241748 [0,0,1,0,0,0|3,0,0]=4 66 B15R2.21 NNc1nccnc1c2ccccn2 271570a_100011264011_100000755098 [0,0,1,0,0,0|3,0,0]=4 67 B15R2.21 O=Cc1ccccc1c2ccccc2 271570a_100000740022_100000210277 [0,0,1,0,0,0|3,0,0]=4 68 B15R2.21 O=Cc1ccccc1c2ccccc2 271570a_100011218836_100000211189 [0,0,1,0,0,0|3,0,0]=4 69 B15R2.21 O=Cc1ccccc1c2ccccn2 271570a_100000740022_100011216584 [0,0,1,0,0,0|2,0,0]=3 70 B15R2.21 O=Cc1ccccc1c2ccccn2 271570a_100011264011_100000211189 [0,0,1,0,0,0|2,0,0]=3 71 B15R2.21 O=Cc1ccccc1c2cccnn2 271570a_100000740022_100016991348 [0,0,1,0,0,0|3,0,0]=4 72 B15R2.21 O=Cc1ccccc1c2ccncn2 271570a_100000740022_100000703185 [0,0,1,0,0,0|3,0,0]=4 73 B15R2.21 O=Cc1ccccc1c2cnccn2 271570a_100000740022_100000758340 [0,0,1,0,0,0|3,0,0]=4 74 B15R2.21 O=Cc1ccccc1c2cnccn2 271570a_100011962566_100000211189 [0,0,1,0,0,0|3,0,0]=4 75 B15R2.21 O=Cc1ccccc1c2ncccn2 271570a_100000740022_100000211032 [0,0,1,0,0,0|3,0,0]=4 76 B15R2.21 O=Cc1cccnc1c2ccccc2 271570a_100011218836_100009816751 [0,0,1,0,0,0|2,0,0]=3 77 B15R2.21 O=Cc1cccnc1c2ccccn2 271570a_100011264011_100009816751 [0,0,1,0,0,0|1,0,0]=2 78 B15R2.21 O=Cc1cccnc1c2cccnc2 271570a_100000757648_100009816751 [0,0,1,0,0,0|3,0,0]=4 79 B15R2.21 O=Cc1cccnc1c2ccncc2 271570a_100000752145_100009816751 [0,0,1,0,0,0|3,0,0]=4 80 B15R2.21 O=Cc1cccnc1c2cnccn2 271570a_100011962566_100009816751 [0,0,1,0,0,0|2,0,0]=3 81 B15R2.21 O=Cc1ccncc1c2ccccn2 271570a_100011264011_100011934409 [0,0,1,0,0,0|3,0,0]=4 82 B15R2.21 O=Cc1cnccc1c2ccccn2 271570a_100011264011_100000050567 [0,0,1,0,0,0|3,0,0]=4 83 B15R2.21 O=Cc1ncccc1c2ccccn2 271570a_100011264011_100011934733 [0,0,1,0,0,0|3,0,0]=4 84 B15R2.21 OCc1ccccc1c2ccccn2 271570a_100000066922_100011216584 [0,0,1,0,0,0|2,0,1]=4 85 B15R2.21 OCc1ccccc1c2ccccn2 271570a_100011264011_100000187465 [0,0,1,0,0,0|2,0,1]=4 86 B15R2.21 OCc1cccnc1c2ccccc2 271570a_100011218836_100000748726 [0,0,1,0,0,0|2,0,1]=4 87 B15R2.21 OCc1cccnc1c2ccccn2 271570a_100011264011_100000748726 [0,0,1,0,0,0|1,0,1]=3 88 B15R2.21 OCc1cccnc1c2cnccn2 271570a_100011962566_100000748726 [0,0,1,0,0,0|2,0,1]=4 89 B15R2.21 OCc1nccnc1c2ccccn2 271570a_100011264011_100000057004 [0,0,1,0,0,0|2,0,1]=4 90 B15R2.21 [13CH3]Oc1ccccc1c2ccccn2 34a_100012186605_200025704644 [0,0,1,0,0,0|2,0,1]=4 91 B15R2.21 [13CH3]Oc1ccccc1c2ccccn2 7a_100012186605_200025704644 [0,0,1,0,0,0|2,0,1]=4 92 B15R2.21 [13CH3]Oc1cccnc1c2ccccc2 34a_100011996219_200025704644 [0,0,1,0,0,0|2,0,1]=4 93 B15R2.21 [13CH3]Oc1cccnc1c2ccccc2 7a_100011996219_200025704644 [0,0,1,0,0,0|2,0,1]=4 94 B15R2.21 [13CH3]Sc1ccccc1c2ccccn2 62a_100010202516_200025704644 [0,0,1,0,0,0|2,0,1]=4 95 B15R2.21 [13CH3]Sc1ccccc1c2ccccn2 62a_200025704644_100010202516 [0,0,1,0,0,0|2,0,1]=4 96 B15R2.21 [13CH3]Sc1cccnc1c2ccccc2 62a_100010138707_200025704644 [0,0,1,0,0,0|2,0,1]=4 97 B15R2.21 [13CH3]Sc1cccnc1c2ccccc2 62a_200025704644_100010138707 [0,0,1,0,0,0|2,0,1]=4 98 B15R2.352 C=CCNc1ccc2cccnc2c1 34a_100102887122_100015514636 [0,0,1,0,0,0|2,0,1]=4 99 B15R2.352 C=CCOc1ccc2cccnc2c1 34a_100011216045_100015514636 [0,0,1,0,0,0|2,0,1]=4 100 B15R2.352 C=CCSc1ccc2cccnc2c1 62a_100000210623_100009816655 [0,0,1,0,0,0|2,0,1]=4 101 B15R2.352 CC=NNc1ccc2cccnc2c1 4a_200016991157_200000210099 [0,0,1,0,0,0|3,0,0]=4 102 B15R2.352 O=CCNc1ccc2cccnc2c1 34a_100102887122_200009817547 [0,0,1,0,0,0|2,0,1]=4 103 B15R2.352 O=CCOc1ccc2cccnc2c1 34a_100011216045_200009817547 [0,0,1,0,0,0|2,0,1]=4 104 B15R2.352 O=CCSc1ccc2cccnc2c1 62a_200015260668_100009816655 [0,0,1,0,0,0|2,0,1]=4 105 B15R2.555 Brc1cccnc1c2ccccc2I 271570a_100000069755_100000696092 [0,0,1,0,0,0|3,0,0]=4 106 B15R2.555 Cc1ccccc1c2ncccc2Br 271570a_100000747142_100000696092 [0,0,1,0,0,0|2,0,1]=4 107 B15R2.555 Cc1ccccc1c2ncccc2C 271570a_100000747142_100000751373 [0,0,1,0,0,0|1,0,2]=4 108 B15R2.555 Cc1ccccc1c2ncccc2Cl 271570a_100000747142_100011356963 [0,0,1,0,0,0|2,0,1]=4 109 B15R2.555 Cc1ccccc1c2ncccc2Cl 271570a_100009857861_100000210755 [0,0,1,0,0,0|2,0,1]=4 110 B15R2.555 Cc1ccccc1c2ncccc2F 271570a_100000747142_100000685392 [0,0,1,0,0,0|2,0,1]=4 111 B15R2.555 Cc1ccccc1c2ncccc2N 271570a_100000747142_100000688686 [0,0,1,0,0,0|2,0,1]=4 112 B15R2.555 Cc1ccccc1c2ncccc2O 271570a_100000747142_100000034122 [0,0,1,0,0,0|2,0,1]=4 113 B15R2.555 Cc1cccnc1c2ccccc2Cl 271570a_100011934419_100000751373 [0,0,1,0,0,0|2,0,1]=4 114 B15R2.555 Cc1cccnc1c2ccccc2F 271570a_100000761933_100000751373 [0,0,1,0,0,0|2,0,1]=4 115 B15R2.555 Cc1cccnc1c2ccccc2I 271570a_100000069755_100000751373 [0,0,1,0,0,0|2,0,1]=4 116 B15R2.555 Cc1cccnc1c2ccccc2N 271570a_100000034411_100000751373 [0,0,1,0,0,0|2,0,1]=4 117 B15R2.555 Cc1cccnc1c2ccccc2O 271570a_100000035170_100000751373 [0,0,1,0,0,0|2,0,1]=4 118 B15R2.555 Cc1cccnc1c2ncccc2Cl 271570a_100009857861_100000751373 [0,0,1,0,0,0|1,0,1]=3 119 B15R2.555 Cc1ccnnc1c2ncccc2Cl 271570a_100009857861_100000089043 [0,0,1,0,0,0|2,0,1]=4 120 B15R2.555 Cc1cncnc1c2ncccc2Cl 271570a_100009857861_100011998708 [0,0,1,0,0,0|2,0,1]=4 121 B15R2.555 Cc1nccnc1c2ncccc2Cl 271570a_100009857861_100011999405 [0,0,1,0,0,0|2,0,1]=4 122 B15R2.555 Clc1ccccc1c2ncccc2Br 271570a_100011934419_100000696092 [0,0,1,0,0,0|3,0,0]=4 123 B15R2.555 Clc1ccccc1c2ncccc2Cl 271570a_100009857861_100000764095 [0,0,1,0,0,0|3,0,0]=4 124 B15R2.555 Clc1ccccc1c2ncccc2Cl 271570a_100011934419_100011356963 [0,0,1,0,0,0|3,0,0]=4 125 B15R2.555 Clc1cccnc1c2ccccc2Br 271570a_100009857861_100000695589 [0,0,1,0,0,0|3,0,0]=4 126 B15R2.555 Clc1cccnc1c2ccccc2I 271570a_100000069755_100011356963 [0,0,1,0,0,0|3,0,0]=4 127 B15R2.555 Clc1cccnc1c2ncccc2Br 271570a_100009857861_100000696092 [0,0,1,0,0,0|2,0,0]=3 128 B15R2.555 Clc1cccnc1c2ncccc2Cl 271570a_100009857861_100011356963 [0,0,1,0,0,0|2,0,0]=3 129 B15R2.555 Fc1ccccc1c2ncccc2Br 271570a_100000761933_100000696092 [0,0,1,0,0,0|3,0,0]=4 130 B15R2.555 Fc1ccccc1c2ncccc2Cl 271570a_100000761933_100011356963 [0,0,1,0,0,0|3,0,0]=4 131 B15R2.555 Fc1ccccc1c2ncccc2Cl 271570a_100009857861_100011215700 [0,0,1,0,0,0|3,0,0]=4 132 B15R2.555 Fc1ccccc1c2ncccc2F 271570a_100000761933_100000685392 [0,0,1,0,0,0|3,0,0]=4 133 B15R2.555 Fc1cccnc1c2ccccc2Cl 271570a_100011934419_100000685392 [0,0,1,0,0,0|3,0,0]=4 134 B15R2.555 Fc1cccnc1c2ccccc2I 271570a_100000069755_100000685392 [0,0,1,0,0,0|3,0,0]=4 135 B15R2.555 Fc1cccnc1c2ncccc2Cl 271570a_100009857861_100000685392 [0,0,1,0,0,0|2,0,0]=3 136 B15R2.555 Fc1cncnc1c2ncccc2Cl 271570a_100009857861_100000069762 [0,0,1,0,0,0|3,0,0]=4 137 B15R2.555 Fc1nccnc1c2ncccc2Cl 271570a_100009857861_200010125657 [0,0,1,0,0,0|3,0,0]=4 138 B15R2.555 Nc1ccccc1c2ncccc2Br 271570a_100000034411_100000696092 [0,0,1,0,0,0|3,0,0]=4 139 B15R2.555 Nc1ccccc1c2ncccc2Cl 271570a_100000034411_100011356963 [0,0,1,0,0,0|3,0,0]=4 140 B15R2.555 Nc1ccccc1c2ncccc2Cl 271570a_100009857861_100000210017 [0,0,1,0,0,0|3,0,0]=4 141 B15R2.555 Nc1ccccc1c2ncccc2F 271570a_100000034411_100000685392 [0,0,1,0,0,0|3,0,0]=4 142 B15R2.555 Nc1ccccc1c2ncccc2N 271570a_100000034411_100000688686 [0,0,1,0,0,0|3,0,0]=4 143 B15R2.555 Nc1ccccc1c2ncccc2O 271570a_100000034411_100000034122 [0,0,1,0,0,0|3,0,0]=4 144 B15R2.555 Nc1cccnc1c2ccccc2Cl 271570a_100011934419_100000688686 [0,0,1,0,0,0|3,0,0]=4 145 B15R2.555 Nc1cccnc1c2ccccc2F 271570a_100000761933_100000688686 [0,0,1,0,0,0|3,0,0]=4 146 B15R2.555 Nc1cccnc1c2ccccc2I 271570a_100000069755_100000688686 [0,0,1,0,0,0|3,0,0]=4 147 B15R2.555 Nc1cccnc1c2ccccc2O 271570a_100000035170_100000688686 [0,0,1,0,0,0|3,0,0]=4 148 B15R2.555 Nc1cccnc1c2ncccc2Cl 271570a_100009857861_100000688686 [0,0,1,0,0,0|2,0,0]=3 149 B15R2.555 Nc1cncnc1c2ncccc2Cl 271570a_100009857861_100000709731 [0,0,1,0,0,0|3,0,0]=4 150 B15R2.555 Nc1nccnc1c2ncccc2Cl 271570a_100009857861_100000747729 [0,0,1,0,0,0|3,0,0]=4 151 B15R2.555 O=c1[nH]ccnc1c2ncccc2Cl 271570a_100009857861_100000763361 [0,0,1,0,0,0|3,0,0]=4 152 B15R2.555 Oc1ccccc1c2ncccc2Br 271570a_100000035170_100000696092 [0,0,1,0,0,0|3,0,0]=4 153 B15R2.555 Oc1ccccc1c2ncccc2Cl 271570a_100000035170_100011356963 [0,0,1,0,0,0|3,0,0]=4 154 B15R2.555 Oc1ccccc1c2ncccc2Cl 271570a_100009857861_100000739446 [0,0,1,0,0,0|3,0,0]=4 155 B15R2.555 Oc1ccccc1c2ncccc2F 271570a_100000035170_100000685392 [0,0,1,0,0,0|3,0,0]=4 156 B15R2.555 Oc1ccccc1c2ncccc2O 271570a_100000035170_100000034122 [0,0,1,0,0,0|3,0,0]=4 157 B15R2.555 Oc1cccnc1c2ccccc2Cl 271570a_100011934419_100000034122 [0,0,1,0,0,0|3,0,0]=4 158 B15R2.555 Oc1cccnc1c2ccccc2F 271570a_100000761933_100000034122 [0,0,1,0,0,0|3,0,0]=4 159 B15R2.555 Oc1cccnc1c2ccccc2I 271570a_100000069755_100000034122 [0,0,1,0,0,0|3,0,0]=4 160 B15R2.555 Oc1cccnc1c2ncccc2Cl 271570a_100009857861_100000034122 [0,0,1,0,0,0|2,0,0]=3 161 B15R2.2115 C=Cc1c(ccc2c1cccc2)C=O 271570a_100011290941_100009813496 [0,0,1,0,0,0|3,0,0]=4 162 B15R2.2115 C=Cc1c(ccc2c1nccc2)OC 271570a_100011290941_100010071576 [0,0,1,0,0,0|2,0,1]=4 163 B15R2.2115 C=Cc1ccc2ccccc2c1C=O 271570a_100011290941_100010090029 [0,0,1,0,0,0|3,0,0]=4 164 B15R2.2115 C=Cc1ccc2ccccc2c1OC 271570a_100011290941_100010089960 [0,0,1,0,0,0|2,0,1]=4 165 B15R2.2115 C=Cc1ccc2cccnc2c1OC 271570a_100011290941_100010256708 [0,0,1,0,0,0|1,0,1]=3 166 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 271570a_100000069678_100000752921 [0,0,1,0,0,0|1,0,2]=4 167 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 271570a_100102527694_100000210277 [0,0,1,0,0,0|2,0,0]=3 168 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [0,0,1,0,0,0|3,0,0]=4 169 B15R2.2195 C(=Cc1ccccn1)c2cccnc2 271570a_100102525586_100011216584 [0,0,1,0,0,0|2,0,0]=3 170 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102525586_100000210277 [0,0,1,0,0,0|1,0,0]=2 171 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102527694_100000752921 [0,0,1,0,0,0|1,0,0]=2 172 B15R2.2195 C(=Cc1cccnc1)c2cccnc2 271570a_100102525586_100000752921 [0,0,1,0,0,0|0,0,0]=1 173 B15R2.2195 C(=Cc1cccnc1)c2ccncc2 271570a_100102525586_100000035832 [0,0,1,0,0,0|2,0,0]=3 174 B15R2.2195 C(=Cc1cccnn1)c2ccccc2 271570a_100102527694_100016991348 [0,0,1,0,0,0|2,0,0]=3 175 B15R2.2195 C(=Cc1cccnn1)c2cccnc2 271570a_100102525586_100016991348 [0,0,1,0,0,0|1,0,0]=2 176 B15R2.2195 C(=Cc1ccncc1)c2ccccc2 271570a_100102527694_100000035832 [0,0,1,0,0,0|3,0,0]=4 177 B15R2.2195 C(=Cc1ccncn1)c2cccnc2 271570a_100102525586_100000703185 [0,0,1,0,0,0|3,0,0]=4 178 B15R2.2195 C(=Cc1ccnnc1)c2ccccc2 271570a_100102527694_100000732662 [0,0,1,0,0,0|2,0,0]=3 179 B15R2.2195 C(=Cc1ccnnc1)c2cccnc2 271570a_100102525586_100000732662 [0,0,1,0,0,0|1,0,0]=2 180 B15R2.2195 C(=Cc1cnccn1)c2ccccc2 271570a_100102527694_100000758340 [0,0,1,0,0,0|2,0,0]=3 181 B15R2.2195 C(=Cc1cnccn1)c2cccnc2 271570a_100102525586_100000758340 [0,0,1,0,0,0|1,0,0]=2 182 B15R2.2195 C(=Cc1cncnc1)c2ccccc2 271570a_100102527694_100011206942 [0,0,1,0,0,0|2,0,0]=3 183 B15R2.2195 C(=Cc1cncnc1)c2cccnc2 271570a_100102525586_100011206942 [0,0,1,0,0,0|1,0,0]=2 184 B15R2.2195 C(=Cc1cnnnc1)c2ccccc2 271570a_100102527694_100009846058 [0,0,1,0,0,0|3,0,0]=4 185 B15R2.2195 C(=Cc1cnnnc1)c2cccnc2 271570a_100102525586_100009846058 [0,0,1,0,0,0|2,0,0]=3 186 B15R2.2195 C(=Cc1ncccn1)c2cccnc2 271570a_100102525586_100000211032 [0,0,1,0,0,0|3,0,0]=4 187 B15R2.2195 c1ccc(cc1)COc2cccnc2 34a_100000210849_100015291786 [0,0,1,0,0,0|2,0,1]=4 188 B15R2.2195 c1ccc(cc1)COc2cccnc2 7a_100000210849_100000211182 [0,0,1,0,0,0|2,0,1]=4 189 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000210063_100015291786 [0,0,1,0,0,0|2,0,1]=4 190 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000211182_100000210063 [0,0,1,0,0,0|2,0,1]=4 191 B15R2.2195 c1ccc(cc1)NCc2cccnc2 207a_100000106764_100000209961 [0,0,1,0,0,0|2,0,1]=4 192 B15R2.2195 c1ccc(cc1)NCc2cccnc2 270302a_100000106764_100000209961 [0,0,1,0,0,0|2,0,1]=4 193 B15R2.2195 c1ccc(cc1)NCc2cccnc2 34a_100000106764_100000733263 [0,0,1,0,0,0|2,0,1]=4 194 B15R2.2195 c1ccc(cc1)OCc2cccnc2 34a_100000210340_100000733263 [0,0,1,0,0,0|2,0,1]=4 195 B15R2.2195 c1ccc(cc1)OCc2cccnc2 7a_100000210340_100000741622 [0,0,1,0,0,0|2,0,1]=4 196 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000719477_100000741622 [0,0,1,0,0,0|2,0,1]=4 197 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000741622_100000041952 [0,0,1,0,0,0|2,0,1]=4 198 B15R2.2195 c1cncc(c1)CNc2cccnn2 27a_100000210453_100016991348 [0,0,1,0,0,0|2,0,1]=4 199 B15R2.2195 c1cncc(c1)CNc2cnccn2 27a_100000210453_100000211759 [0,0,1,0,0,0|2,0,1]=4 200 B15R2.2195 c1cncc(c1)COc2cccnc2 34a_100000210849_100000733263 [0,0,1,0,0,0|1,0,1]=3 201 B15R2.2195 c1cncc(c1)COc2cccnc2 7a_100000210849_100000741622 [0,0,1,0,0,0|1,0,1]=3 202 B15R2.2195 c1cncc(c1)COc2ccnnc2 34a_100015204005_100000733263 [0,0,1,0,0,0|2,0,1]=4 203 B15R2.2195 c1cncc(c1)COc2cncnc2 7a_100000754086_100000741622 [0,0,1,0,0,0|2,0,1]=4 204 B15R2.2195 c1cncc(c1)CSc2cccnc2 62a_100000210063_100000741622 [0,0,1,0,0,0|1,0,1]=3 205 B15R2.2195 c1cncc(c1)CSc2cccnc2 62a_100000741622_100000210063 [0,0,1,0,0,0|1,0,1]=3 206 B15R2.2195 c1cncc(c1)CSc2cccnn2 62a_100000741622_100016991348 [0,0,1,0,0,0|2,0,1]=4 207 B15R2.2195 c1cncc(c1)CSc2cccnn2 62a_100016991348_100000741622 [0,0,1,0,0,0|2,0,1]=4 208 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000732662_100000741622 [0,0,1,0,0,0|2,0,1]=4 209 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000741622_100000732662 [0,0,1,0,0,0|2,0,1]=4 210 B15R2.2195 c1cncc(c1)CSc2cnccn2 62a_100000211759_100000741622 [0,0,1,0,0,0|2,0,1]=4 211 B15R2.2195 c1cncc(c1)CSc2cnccn2 62a_100000741622_100000211759 [0,0,1,0,0,0|2,0,1]=4 212 B15R2.2195 c1cncc(c1)CSc2cncnc2 62a_100000741622_100011206942 [0,0,1,0,0,0|2,0,1]=4 213 B15R2.2195 c1cncc(c1)CSc2cncnc2 62a_100011206942_100000741622 [0,0,1,0,0,0|2,0,1]=4 214 B15R2.2195 c1cncc(c1)OCc2cccnn2 34a_100000210849_100016990269 [0,0,1,0,0,0|2,0,1]=4 215 B15R2.2195 c1cncc(c1)OCc2cccnn2 7a_100000210849_100016990269 [0,0,1,0,0,0|2,0,1]=4 216 B15R2.2195 c1cncc(c1)OCc2cnccn2 34a_100000210849_100016995436 [0,0,1,0,0,0|2,0,1]=4 217 B15R2.2195 c1cncc(c1)OCc2cnccn2 7a_100000210849_100016995436 [0,0,1,0,0,0|2,0,1]=4 218 B15R2.2195 c1cncc(c1)OCc2cncnc2 34a_100000210849_100015196519 [0,0,1,0,0,0|2,0,1]=4 219 B15R2.2195 c1cncc(c1)OCc2cncnc2 7a_100000210849_100015196519 [0,0,1,0,0,0|2,0,1]=4 220 B15R2.2195 c1cncc(c1)SCc2cccnn2 62a_100000210063_100016990269 [0,0,1,0,0,0|2,0,1]=4 221 B15R2.2195 c1cncc(c1)SCc2cccnn2 62a_100016990269_100000210063 [0,0,1,0,0,0|2,0,1]=4 222 B15R2.2195 c1cncc(c1)SCc2cnccn2 62a_100000210063_100016995436 [0,0,1,0,0,0|2,0,1]=4 223 B15R2.2195 c1cncc(c1)SCc2cnccn2 62a_100016995436_100000210063 [0,0,1,0,0,0|2,0,1]=4 224 B15R2.2195 c1cncc(c1)SCc2cncnc2 62a_100000210063_100015196519 [0,0,1,0,0,0|2,0,1]=4 225 B15R2.2195 c1cncc(c1)SCc2cncnc2 62a_100015196519_100000210063 [0,0,1,0,0,0|2,0,1]=4 226 B15R2.2220 C=C=Cc1ccc2ccccc2c1Br 271570a_100015277604_200010089984 [0,0,1,0,0,0|2,0,1]=4 227 B15R2.2220 C=C=Cc1ccc2ccccc2c1C 271570a_100015277604_100010221197 [0,0,1,0,0,0|2,0,1]=4 228 B15R2.2220 C=C=Cc1ccc2ccccc2c1F 271570a_100015277604_100009832041 [0,0,1,0,0,0|2,0,1]=4 229 B15R2.2220 C=C=Cc1ccc2ccccc2c1N 271570a_100015277604_100009817101 [0,0,1,0,0,0|1,0,2]=4 230 B15R2.2220 C=C=Cc1ccc2ccccc2c1O 271570a_100015277604_100009996032 [0,0,1,0,0,0|2,0,1]=4 231 B15R2.2220 C=C=Cc1ccc2cccnc2c1C 271570a_100015277604_100010214467 [0,0,1,0,0,0|1,0,1]=3 232 B15R2.2220 C=C=Cc1ccc2cccnc2c1F 271570a_100015277604_100010751467 [0,0,1,0,0,0|1,0,1]=3 233 B15R2.2220 C=C=Cc1ccc2cccnc2c1O 271570a_100015277604_100009816563 [0,0,1,0,0,0|1,0,1]=3 234 B15R2.2220 C=C=Cc1ccc2nccnc2c1C 271570a_100015277604_100135414757 [0,0,1,0,0,0|2,0,1]=4 235 B15R2.2220 CC=Cc1ccc2ccccc2c1Br 271570a_100016259895_200010089984 [0,0,1,0,0,0|2,0,1]=4 236 B15R2.2220 CC=Cc1ccc2ccccc2c1C 271570a_100016259895_100010221197 [0,0,1,0,0,0|2,0,1]=4 237 B15R2.2220 CC=Cc1ccc2ccccc2c1F 271570a_100016259895_100009832041 [0,0,1,0,0,0|2,0,1]=4 238 B15R2.2220 CC=Cc1ccc2ccccc2c1N 271570a_100016259895_100009817101 [0,0,1,0,0,0|1,0,2]=4 239 B15R2.2220 CC=Cc1ccc2ccccc2c1O 271570a_100016259895_100009996032 [0,0,1,0,0,0|2,0,1]=4 240 B15R2.2220 CC=Cc1ccc2cccnc2c1C 271570a_100016259895_100010214467 [0,0,1,0,0,0|1,0,1]=3 241 B15R2.2220 CC=Cc1ccc2cccnc2c1F 271570a_100016259895_100010751467 [0,0,1,0,0,0|1,0,1]=3 242 B15R2.2220 CC=Cc1ccc2cccnc2c1O 271570a_100016259895_100009816563 [0,0,1,0,0,0|1,0,1]=3 243 B15R2.2220 CC=Cc1ccc2nccnc2c1C 271570a_100016259895_100135414757 [0,0,1,0,0,0|2,0,1]=4 244 B15R2.9941 C=C=Cc1c(ccc2c1nccc2)O 271570a_100015277604_100010173343 [0,0,1,0,0,0|2,0,1]=4 245 B15R2.9941 CC=Cc1c(ccc2c1nccc2)O 271570a_100016259895_100010173343 [0,0,1,0,0,0|2,0,1]=4 246 B15R2.18471 C=CCNc1cccc2c1cccc2 34a_100000185869_100015514636 [0,0,1,0,0,0|1,0,2]=4 247 B15R2.18471 C=CCNc1cccc2c1nccc2 34a_100000181377_100015514636 [0,0,1,0,0,0|0,0,2]=3 248 B15R2.18471 C=CCNc1cccc2c1nccn2 27a_100020586998_100010003881 [0,0,1,0,0,0|1,0,2]=4 249 B15R2.18471 C=CCNc1cccc2c1ncnc2 27a_100020586998_100010246313 [0,0,1,0,0,0|1,0,2]=4 250 B15R2.18471 C=CCNc1nccc2c1nccc2 27a_100020586998_100010063729 [0,0,1,0,0,0|1,0,2]=4 251 B15R2.18471 C=CCOc1cccc2c1cccc2 34a_100000210388_100015514636 [0,0,1,0,0,0|2,0,1]=4 252 B15R2.18471 C=CCOc1cccc2c1cccc2 7a_100000210388_100015514636 [0,0,1,0,0,0|2,0,1]=4 253 B15R2.18471 C=CCOc1cccc2c1nccc2 34a_100000056035_100015514636 [0,0,1,0,0,0|1,0,1]=3 254 B15R2.18471 C=CCOc1cccc2c1nccn2 34a_100000077048_100015514636 [0,0,1,0,0,0|2,0,1]=4 255 B15R2.18471 C=CCOc1cccc2c1ncnc2 34a_200000077003_100015514636 [0,0,1,0,0,0|2,0,1]=4 256 B15R2.18471 C=CCSc1cccc2c1cccc2 62a_100000210623_100000210605 [0,0,1,0,0,0|2,0,1]=4 257 B15R2.18471 C=CCSc1cccc2c1nccc2 62a_100000210623_100011215545 [0,0,1,0,0,0|1,0,1]=3 258 B15R2.18471 C=CCSc1cccc2c1nccn2 62a_100000210623_100010003881 [0,0,1,0,0,0|2,0,1]=4 259 B15R2.18471 C=CCSc1cccc2c1nccn2 62a_100010003881_100000210623 [0,0,1,0,0,0|2,0,1]=4 260 B15R2.18471 C=CCSc1cccc2c1ncnc2 62a_100000210623_100010246313 [0,0,1,0,0,0|2,0,1]=4 261 B15R2.18471 C=CCSc1cccc2c1ncnc2 62a_100010246313_100000210623 [0,0,1,0,0,0|2,0,1]=4 262 B15R2.18471 C=CCSc1nccc2c1nccc2 62a_100000210623_100010063729 [0,0,1,0,0,0|2,0,1]=4 263 B15R2.18471 CC=NNc1cccc2c1nccc2 4a_100015200115_200000210099 [0,0,1,0,0,0|1,0,2]=4 264 B15R2.18471 O=CCNc1cccc2c1nccc2 34a_100000181377_200009817547 [0,0,1,0,0,0|1,0,2]=4 265 B15R2.18471 O=CCOc1cccc2c1nccc2 34a_100000056035_200009817547 [0,0,1,0,0,0|2,0,1]=4 266 B15R2.18471 O=CCSc1cccc2c1nccc2 62a_200015260668_100011215545 [0,0,1,0,0,0|2,0,1]=4 267 B14R2.24 Brc1ccccc1c2ccccn2 271570a_100011264011_100000695589 [1,0,1,0,0,0|2,0,0]=4 268 B14R2.24 Brc1cccnc1c2ccccc2 271570a_100011218836_100000696092 [1,0,1,0,0,0|2,0,0]=4 269 B14R2.24 Brc1cccnc1c2ccccn2 271570a_100011264011_100000696092 [1,0,1,0,0,0|1,0,0]=3 270 B14R2.24 Brc1cccnc1c2cnccn2 271570a_100011962566_100000696092 [1,0,1,0,0,0|2,0,0]=4 271 B14R2.24 Cc1ccccc1c2ccccn2 271570a_100000747142_100011216584 [1,0,1,0,0,0|1,0,1]=4 272 B14R2.24 Cc1ccccc1c2ccccn2 271570a_100011264011_100000210755 [1,0,1,0,0,0|1,0,1]=4 273 B14R2.24 Cc1cccnc1c2ccccc2 271570a_100011218836_100000751373 [1,0,1,0,0,0|1,0,1]=4 274 B14R2.24 Cc1cccnc1c2ccccn2 271570a_100011264011_100000751373 [1,0,1,0,0,0|0,0,1]=3 275 B14R2.24 Cc1cccnc1c2cnccn2 271570a_100011962566_100000751373 [1,0,1,0,0,0|1,0,1]=4 276 B14R2.24 Cc1ccnnc1c2ccccn2 271570a_100011264011_100000089043 [1,0,1,0,0,0|1,0,1]=4 277 B14R2.24 Cc1cncnc1c2ccccn2 271570a_100011264011_100011998708 [1,0,1,0,0,0|1,0,1]=4 278 B14R2.24 Cc1nccnc1c2ccccn2 271570a_100011264011_100011999405 [1,0,1,0,0,0|1,0,1]=4 279 B14R2.24 Clc1ccccc1c2ccccn2 271570a_100011264011_100000764095 [1,0,1,0,0,0|2,0,0]=4 280 B14R2.24 Clc1ccccc1c2ccccn2 271570a_100011934419_100011216584 [1,0,1,0,0,0|2,0,0]=4 281 B14R2.24 Clc1cccnc1c2ccccc2 271570a_100009857861_100000210277 [1,0,1,0,0,0|2,0,0]=4 282 B14R2.24 Clc1cccnc1c2ccccc2 271570a_100011218836_100011356963 [1,0,1,0,0,0|2,0,0]=4 283 B14R2.24 Clc1cccnc1c2ccccn2 271570a_100009857861_100011216584 [1,0,1,0,0,0|1,0,0]=3 284 B14R2.24 Clc1cccnc1c2ccccn2 271570a_100011264011_100011356963 [1,0,1,0,0,0|1,0,0]=3 285 B14R2.24 Clc1cccnc1c2cccnn2 271570a_100009857861_100016991348 [1,0,1,0,0,0|2,0,0]=4 286 B14R2.24 Clc1cccnc1c2ccncn2 271570a_100009857861_100000703185 [1,0,1,0,0,0|2,0,0]=4 287 B14R2.24 Clc1cccnc1c2cnccn2 271570a_100009857861_100000758340 [1,0,1,0,0,0|2,0,0]=4 288 B14R2.24 Clc1cccnc1c2cnccn2 271570a_100011962566_100011356963 [1,0,1,0,0,0|2,0,0]=4 289 B14R2.24 Clc1cccnc1c2ncccn2 271570a_100009857861_100000211032 [1,0,1,0,0,0|2,0,0]=4 290 B14R2.24 Fc1ccccc1c2ccccn2 271570a_100000761933_100011216584 [1,0,1,0,0,0|2,0,0]=4 291 B14R2.24 Fc1ccccc1c2ccccn2 271570a_100011264011_100011215700 [1,0,1,0,0,0|2,0,0]=4 292 B14R2.24 Fc1cccnc1c2ccccc2 271570a_100011218836_100000685392 [1,0,1,0,0,0|2,0,0]=4 293 B14R2.24 Fc1cccnc1c2ccccn2 271570a_100011264011_100000685392 [1,0,1,0,0,0|1,0,0]=3 294 B14R2.24 Fc1cccnc1c2cnccn2 271570a_100011962566_100000685392 [1,0,1,0,0,0|2,0,0]=4 295 B14R2.24 Fc1cncnc1c2ccccn2 271570a_100011264011_100000069762 [1,0,1,0,0,0|2,0,0]=4 296 B14R2.24 Fc1nccnc1c2ccccn2 271570a_100011264011_200010125657 [1,0,1,0,0,0|2,0,0]=4 297 B14R2.24 Ic1ccccc1c2ccccn2 271570a_100000069755_100011216584 [1,0,1,0,0,0|2,0,0]=4 298 B14R2.24 Nc1ccccc1c2ccccn2 271570a_100000034411_100011216584 [1,0,1,0,0,0|2,0,0]=4 299 B14R2.24 Nc1ccccc1c2ccccn2 271570a_100011264011_100000210017 [1,0,1,0,0,0|2,0,0]=4 300 B14R2.24 Nc1cccnc1c2ccccc2 271570a_100011218836_100000688686 [1,0,1,0,0,0|2,0,0]=4 301 B14R2.24 Nc1cccnc1c2ccccn2 271570a_100011264011_100000688686 [1,0,1,0,0,0|1,0,0]=3 302 B14R2.24 Nc1cccnc1c2cnccn2 271570a_100011962566_100000688686 [1,0,1,0,0,0|2,0,0]=4 303 B14R2.24 Nc1cncnc1c2ccccn2 271570a_100011264011_100000709731 [1,0,1,0,0,0|2,0,0]=4 304 B14R2.24 Nc1nccnc1c2ccccn2 271570a_100011264011_100000747729 [1,0,1,0,0,0|2,0,0]=4 305 B14R2.24 O=c1[nH]ccnc1c2ccccn2 271570a_100011264011_100000763361 [1,0,1,0,0,0|2,0,0]=4 306 B14R2.24 Oc1ccccc1c2ccccn2 271570a_100000035170_100011216584 [1,0,1,0,0,0|2,0,0]=4 307 B14R2.24 Oc1ccccc1c2ccccn2 271570a_100011264011_100000739446 [1,0,1,0,0,0|2,0,0]=4 308 B14R2.24 Oc1ccccc1c2ccccn2 271570a_203496583355_100010202516 [1,0,1,0,0,0|2,0,0]=4 309 B14R2.24 Oc1cccnc1c2ccccc2 271570a_100011218836_100000034122 [1,0,1,0,0,0|2,0,0]=4 310 B14R2.24 Oc1cccnc1c2ccccc2 271570a_203496583355_100010138707 [1,0,1,0,0,0|2,0,0]=4 311 B14R2.24 Oc1cccnc1c2ccccn2 271570a_100011264011_100000034122 [1,0,1,0,0,0|1,0,0]=3 312 B14R2.24 Oc1cccnc1c2cnccn2 271570a_100011962566_100000034122 [1,0,1,0,0,0|2,0,0]=4 313 B14R2.112 C=C=Cc1ccc2ccccc2c1 271570a_100015277604_100000233703 [1,0,1,0,0,0|1,0,1]=4 314 B14R2.112 C=C=Cc1ccc2cccnc2c1 271570a_100015277604_100009816655 [1,0,1,0,0,0|0,0,1]=3 315 B14R2.112 C=C=Cc1ccc2cccnc2n1 271570a_100015277604_100009888989 [1,0,1,0,0,0|1,0,1]=4 316 B14R2.112 C=C=Cc1ccc2cncnc2c1 271570a_100015277604_100010185614 [1,0,1,0,0,0|1,0,1]=4 317 B14R2.112 C=C=Cc1ccc2nccnc2c1 271570a_100015277604_100011219451 [1,0,1,0,0,0|1,0,1]=4 318 B14R2.112 C=C=Cc1cnc2cccnc2c1 271570a_100015277604_100010246316 [1,0,1,0,0,0|1,0,1]=4 319 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [1,0,1,0,0,0|1,0,1]=4 320 B14R2.112 CC=Cc1ccc2cccnc2c1 271570a_100016259895_100009816655 [1,0,1,0,0,0|0,0,1]=3 321 B14R2.112 CC=Cc1ccc2cccnc2n1 271570a_100016259895_100009888989 [1,0,1,0,0,0|1,0,1]=4 322 B14R2.112 CC=Cc1ccc2cncnc2c1 271570a_100016259895_100010185614 [1,0,1,0,0,0|1,0,1]=4 323 B14R2.112 CC=Cc1ccc2nccnc2c1 271570a_100016259895_100011219451 [1,0,1,0,0,0|1,0,1]=4 324 B14R2.112 CC=Cc1cnc2cccnc2c1 271570a_100016259895_100010246316 [1,0,1,0,0,0|1,0,1]=4 325 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [1,0,1,0,0,0|2,0,0]=4 326 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [1,0,1,0,0,0|1,0,1]=4 327 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [1,0,1,0,0,0|2,0,0]=4 328 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [1,0,1,0,0,0|1,0,1]=4 329 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [1,0,1,0,0,0|2,0,0]=4 330 B14R2.92 C=Cc1ccc2cccnc2c1C 271570a_100011290941_100010214467 [1,0,1,0,0,0|0,0,1]=3 331 B14R2.92 C=Cc1ccc2cccnc2c1F 271570a_100011290941_100010751467 [1,0,1,0,0,0|1,0,0]=3 332 B14R2.92 C=Cc1ccc2cccnc2c1O 271570a_100011290941_100009816563 [1,0,1,0,0,0|1,0,0]=3 333 B14R2.92 C=Cc1ccc2nccnc2c1C 271570a_100011290941_100135414757 [1,0,1,0,0,0|1,0,1]=4 334 B14R2.203 C=Cc1c(ccc2c1cccc2)Br 271570a_100011290941_100010090040 [1,0,1,0,0,0|2,0,0]=4 335 B14R2.203 C=Cc1c(ccc2c1cccc2)C 271570a_100011290941_100000759710 [1,0,1,0,0,0|1,0,1]=4 336 B14R2.203 C=Cc1c(ccc2c1cccc2)N 271570a_100011290941_100000705303 [1,0,1,0,0,0|2,0,0]=4 337 B14R2.203 C=Cc1c(ccc2c1cccc2)O 271570a_100011290941_100000183829 [1,0,1,0,0,0|2,0,0]=4 338 B14R2.203 C=Cc1c(ccc2c1nccc2)O 271570a_100011290941_100010173343 [1,0,1,0,0,0|1,0,0]=3 339 B14R2.203 C=Cc1c(ccc2c1nccn2)N 271570a_100011290941_100000729981 [1,0,1,0,0,0|2,0,0]=4 340 B14R2.203 C=Cc1c(cnc2c1nccc2)N 271570a_100011290941_100009889961 [1,0,1,0,0,0|2,0,0]=4 341 B14R2.7150 C=C=Cc1cccc2c1cccc2 271570a_100015277604_100000210605 [1,0,1,0,0,0|1,0,1]=4 342 B14R2.7150 C=C=Cc1cccc2c1nccc2 271570a_100015277604_100011215545 [1,0,1,0,0,0|0,0,1]=3 343 B14R2.7150 C=C=Cc1cccc2c1nccn2 271570a_100015277604_100010003881 [1,0,1,0,0,0|1,0,1]=4 344 B14R2.7150 C=C=Cc1cccc2c1ncnc2 271570a_100015277604_100010246313 [1,0,1,0,0,0|1,0,1]=4 345 B14R2.7150 C=C=Cc1nccc2c1nccc2 271570a_100015277604_100010063729 [1,0,1,0,0,0|1,0,1]=4 346 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [1,0,1,0,0,0|1,0,1]=4 347 B14R2.7150 CC=Cc1cccc2c1nccc2 271570a_100016259895_100011215545 [1,0,1,0,0,0|0,0,1]=3 348 B14R2.7150 CC=Cc1cccc2c1nccn2 271570a_100016259895_100010003881 [1,0,1,0,0,0|1,0,1]=4 349 B14R2.7150 CC=Cc1cccc2c1ncnc2 271570a_100016259895_100010246313 [1,0,1,0,0,0|1,0,1]=4 350 B14R2.7150 CC=Cc1nccc2c1nccc2 271570a_100016259895_100010063729 [1,0,1,0,0,0|1,0,1]=4 351 B16R2.15 C=Cc1cc(=O)[nH]nc1c2ccccc2 271570a_100011290941_100009828137 [0,1,1,0,0,0|2,0,0]=4 352 B16R2.15 COc1cc(cnc1c2ccccn2)C 271570a_100011264011_200000118316 [0,1,1,0,0,0|1,0,1]=4 353 B16R2.15 COc1cc(cnc1c2ccccn2)F 271570a_100011264011_100009867738 [0,1,1,0,0,0|1,0,1]=4 354 B16R2.15 COc1cc(cnc1c2ccccn2)N 271570a_100011264011_100000097218 [0,1,1,0,0,0|1,0,1]=4 355 B16R2.15 CSc1cc(cnc1c2ccccn2)C 271570a_100011264011_100010884634 [0,1,1,0,0,0|1,0,1]=4 356 B16R2.15 Cc1ccc(c(c1)C=O)c2ccccn2 271570a_100010043623_100011216584 [0,1,1,0,0,0|2,0,0]=4 357 B16R2.15 Cc1ccc(c(c1)C=O)c2ccccn2 271570a_100011264011_100011551863 [0,1,1,0,0,0|2,0,0]=4 358 B16R2.15 Cc1cnc(c(c1)C#N)c2ccccn2 271570a_100011264011_100012662280 [0,1,1,0,0,0|1,0,1]=4 359 B16R2.15 Cc1cnc(c(c1)C=O)c2ccccc2 271570a_100011218836_100000050350 [0,1,1,0,0,0|2,0,0]=4 360 B16R2.15 Cc1cnc(c(c1)C=O)c2ccccn2 271570a_100011264011_100000050350 [0,1,1,0,0,0|1,0,0]=3 361 B16R2.15 Cc1cnc(c(c1)C=O)c2cnccn2 271570a_100011962566_100000050350 [0,1,1,0,0,0|2,0,0]=4 362 B16R2.15 Cc1cnc(c(c1)CO)c2ccccn2 271570a_100011264011_100000118064 [0,1,1,0,0,0|1,0,1]=4 363 B16R2.15 N#Cc1cc(cnc1c2ccccn2)Br 271570a_100011264011_100014921297 [0,1,1,0,0,0|1,0,1]=4 364 B16R2.15 N#Cc1cc(cnc1c2ccccn2)F 271570a_100011264011_100009880867 [0,1,1,0,0,0|1,0,1]=4 365 B16R2.15 N#Cc1cc(cnc1c2ccccn2)N 271570a_100011264011_100000100830 [0,1,1,0,0,0|1,0,1]=4 366 B16R2.15 NCc1cc(cnc1c2ccccn2)F 271570a_100011264011_100010760786 [0,1,1,0,0,0|1,0,1]=4 367 B16R2.15 O=Cc1cc(ccc1c2ccccn2)Br 271570a_100011264011_100010185651 [0,1,1,0,0,0|2,0,0]=4 368 B16R2.15 O=Cc1cc(ccc1c2ccccn2)Br 271570a_100021397726_100011216584 [0,1,1,0,0,0|2,0,0]=4 369 B16R2.15 O=Cc1cc(ccc1c2ccccn2)Cl 271570a_100000069396_100011216584 [0,1,1,0,0,0|2,0,0]=4 370 B16R2.15 O=Cc1cc(ccc1c2ccccn2)Cl 271570a_100011264011_100010254386 [0,1,1,0,0,0|2,0,0]=4 371 B16R2.15 O=Cc1cc(ccc1c2ccccn2)F 271570a_100010043619_100011216584 [0,1,1,0,0,0|2,0,0]=4 372 B16R2.15 O=Cc1cc(ccc1c2ccccn2)F 271570a_100011264011_100011218309 [0,1,1,0,0,0|2,0,0]=4 373 B16R2.15 O=Cc1cc(ccc1c2ccccn2)O 271570a_100010081631_100011216584 [0,1,1,0,0,0|2,0,0]=4 374 B16R2.15 O=Cc1cc(ccc1c2ccccn2)O 271570a_100011264011_100000690577 [0,1,1,0,0,0|2,0,0]=4 375 B16R2.15 O=Cc1cc(cnc1c2ccccc2)F 271570a_100011218836_100000079965 [0,1,1,0,0,0|2,0,0]=4 376 B16R2.15 O=Cc1cc(cnc1c2ccccn2)F 271570a_100011264011_100000079965 [0,1,1,0,0,0|1,0,0]=3 377 B16R2.15 O=Cc1cc(cnc1c2cnccn2)F 271570a_100011962566_100000079965 [0,1,1,0,0,0|2,0,0]=4 378 B16R2.15 OCc1cc(cnc1c2ccccn2)F 271570a_100011264011_100000079972 [0,1,1,0,0,0|1,0,1]=4 379 B16R2.26 C=Cc1ccccc1c2ccc(=O)[nH]n2 271570a_100000037480_100009820020 [0,1,1,0,0,0|2,0,0]=4 380 B16R2.26 C=Cc1ccccc1c2ccc(cc2)Br 271570a_100000037480_100000752885 [0,1,1,0,0,0|2,0,0]=4 381 B16R2.26 C=Cc1ccccc1c2ccc(cc2)C 271570a_100000037480_100000186775 [0,1,1,0,0,0|2,0,0]=4 382 B16R2.26 C=Cc1ccccc1c2ccc(cc2)Cl 271570a_100000037480_100000755918 [0,1,1,0,0,0|2,0,0]=4 383 B16R2.26 C=Cc1ccccc1c2ccc(cc2)F 271570a_100000037480_100000211213 [0,1,1,0,0,0|2,0,0]=4 384 B16R2.26 C=Cc1ccccc1c2ccc(cc2)N 271570a_100000037480_100000185761 [0,1,1,0,0,0|2,0,0]=4 385 B16R2.26 C=Cc1ccccc1c2ccc(cc2)O 271570a_100000037480_100000185759 [0,1,1,0,0,0|2,0,0]=4 386 B16R2.26 C=Cc1ccccc1c2ccc(cn2)Br 271570a_100000037480_100000686858 [0,1,1,0,0,0|1,0,0]=3 387 B16R2.26 C=Cc1ccccc1c2ccc(cn2)C 271570a_100000037480_100000754016 [0,1,1,0,0,0|1,0,0]=3 388 B16R2.26 C=Cc1ccccc1c2ccc(cn2)Cl 271570a_100000037480_100011356976 [0,1,1,0,0,0|1,0,0]=3 389 B16R2.26 C=Cc1ccccc1c2ccc(cn2)F 271570a_100000037480_100000744514 [0,1,1,0,0,0|1,0,0]=3 390 B16R2.26 C=Cc1ccccc1c2ccc(cn2)N 271570a_100000037480_100000744251 [0,1,1,0,0,0|1,0,0]=3 391 B16R2.26 C=Cc1ccccc1c2ccc(cn2)O 271570a_100000037480_100000685995 [0,1,1,0,0,0|1,0,0]=3 392 B16R2.26 C=Cc1ccccc1c2ccc(nn2)C 271570a_100000037480_100011450037 [0,1,1,0,0,0|2,0,0]=4 393 B16R2.26 C=Cc1ccccc1c2ccc(nn2)N 271570a_100000037480_100009816609 [0,1,1,0,0,0|2,0,0]=4 394 B16R2.26 C=Cc1ccccc1c2cnc(cn2)C 271570a_100000037480_100011999403 [0,1,1,0,0,0|2,0,0]=4 395 B16R2.26 C=Cc1ccccc1c2cnc(cn2)F 271570a_100000037480_100009856528 [0,1,1,0,0,0|2,0,0]=4 396 B16R2.26 C=Cc1ccccc1c2cnc(cn2)N 271570a_100000037480_100000761932 [0,1,1,0,0,0|2,0,0]=4 397 B16R2.26 C=Cc1ccccc1c2ncc(cn2)Br 271570a_100000037480_100000690281 [0,1,1,0,0,0|2,0,0]=4 398 B16R2.26 C=Cc1ccccc1c2ncc(cn2)C 271570a_100000037480_100011825175 [0,1,1,0,0,0|2,0,0]=4 399 B16R2.26 C=Cc1ccccc1c2ncc(cn2)Cl 271570a_100000037480_100011356929 [0,1,1,0,0,0|2,0,0]=4 400 B16R2.26 C=Cc1ccccc1c2ncc(cn2)F 271570a_100000037480_100000685220 [0,1,1,0,0,0|2,0,0]=4 401 B16R2.26 C=Cc1ccccc1c2ncc(cn2)N 271570a_100000037480_100000068403 [0,1,1,0,0,0|2,0,0]=4 402 B16R2.26 C=Cc1ccccc1c2ncc(cn2)O 271570a_100000037480_100000730009 [0,1,1,0,0,0|2,0,0]=4 403 B16R2.26 C=Cc1cncnc1c2ccc(cc2)C 271570a_100011290941_200009816995 [0,1,1,0,0,0|2,0,0]=4 404 B16R2.26 CNc1cccnc1c2ccc(cn2)C 271570a_100000066433_200011806188 [0,1,1,0,0,0|1,0,1]=4 405 B16R2.26 CNc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_200011806188 [0,1,1,0,0,0|1,0,1]=4 406 B16R2.26 CNc1cccnc1c2ccc(cn2)F 271570a_100000117362_200011806188 [0,1,1,0,0,0|1,0,1]=4 407 B16R2.26 COc1cccnc1c2ccc(cn2)C 271570a_100000066433_100000690851 [0,1,1,0,0,0|1,0,1]=4 408 B16R2.26 COc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_100000690851 [0,1,1,0,0,0|1,0,1]=4 409 B16R2.26 COc1cccnc1c2ccc(cn2)F 271570a_100000117362_100000690851 [0,1,1,0,0,0|1,0,1]=4 410 B16R2.26 Cc1ccc(cc1)c2ncccc2C=O 271570a_100000708704_100009816751 [0,1,1,0,0,0|2,0,0]=4 411 B16R2.26 Cc1ccc(nc1)c2ccccc2C=O 271570a_100000066433_100000211189 [0,1,1,0,0,0|2,0,0]=4 412 B16R2.26 Cc1ccc(nc1)c2ccccc2C=O 271570a_100000740022_100000754016 [0,1,1,0,0,0|2,0,0]=4 413 B16R2.26 Cc1ccc(nc1)c2ncccc2C#N 271570a_100000066433_100000211984 [0,1,1,0,0,0|1,0,1]=4 414 B16R2.26 Cc1ccc(nc1)c2ncccc2C=O 271570a_100000066433_100009816751 [0,1,1,0,0,0|1,0,0]=3 415 B16R2.26 Cc1ccc(nc1)c2ncccc2CN 271570a_100000066433_100015189234 [0,1,1,0,0,0|1,0,1]=4 416 B16R2.26 Cc1ccc(nc1)c2ncccc2CO 271570a_100000066433_100000748726 [0,1,1,0,0,0|1,0,1]=4 417 B16R2.26 N#Cc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_100000211984 [0,1,1,0,0,0|1,0,1]=4 418 B16R2.26 N#Cc1cccnc1c2ccc(cn2)F 271570a_100000117362_100000211984 [0,1,1,0,0,0|1,0,1]=4 419 B16R2.26 NCc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_100015189234 [0,1,1,0,0,0|1,0,1]=4 420 B16R2.26 NCc1cccnc1c2ccc(cn2)F 271570a_100000117362_100015189234 [0,1,1,0,0,0|1,0,1]=4 421 B16R2.26 Nc1ccc(cc1)c2ncccc2C=O 271570a_100015188457_100009816751 [0,1,1,0,0,0|2,0,0]=4 422 B16R2.26 Nc1ccc(nc1)c2ccccc2C=O 271570a_100000740022_100000744251 [0,1,1,0,0,0|2,0,0]=4 423 B16R2.26 O=Cc1ccccc1c2ccc(cn2)Br 271570a_100000740022_100000686858 [0,1,1,0,0,0|2,0,0]=4 424 B16R2.26 O=Cc1ccccc1c2ccc(cn2)Cl 271570a_100000740022_100011356976 [0,1,1,0,0,0|2,0,0]=4 425 B16R2.26 O=Cc1ccccc1c2ccc(cn2)Cl 271570a_200000049369_100000211189 [0,1,1,0,0,0|2,0,0]=4 426 B16R2.26 O=Cc1ccccc1c2ccc(cn2)F 271570a_100000117362_100000211189 [0,1,1,0,0,0|2,0,0]=4 427 B16R2.26 O=Cc1ccccc1c2ccc(cn2)F 271570a_100000740022_100000744514 [0,1,1,0,0,0|2,0,0]=4 428 B16R2.26 O=Cc1ccccc1c2ccc(cn2)O 271570a_100000740022_100000685995 [0,1,1,0,0,0|2,0,0]=4 429 B16R2.26 O=Cc1cccnc1c2ccc(cc2)Br 271570a_100010235827_100009816751 [0,1,1,0,0,0|2,0,0]=4 430 B16R2.26 O=Cc1cccnc1c2ccc(cc2)Cl 271570a_100011213355_100009816751 [0,1,1,0,0,0|2,0,0]=4 431 B16R2.26 O=Cc1cccnc1c2ccc(cc2)F 271570a_100011934326_100009816751 [0,1,1,0,0,0|2,0,0]=4 432 B16R2.26 O=Cc1cccnc1c2ccc(cc2)I 271570a_100000033156_100009816751 [0,1,1,0,0,0|2,0,0]=4 433 B16R2.26 O=Cc1cccnc1c2ccc(cc2)O 271570a_100015205159_100009816751 [0,1,1,0,0,0|2,0,0]=4 434 B16R2.26 O=Cc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_100009816751 [0,1,1,0,0,0|1,0,0]=3 435 B16R2.26 O=Cc1cccnc1c2ccc(cn2)F 271570a_100000117362_100009816751 [0,1,1,0,0,0|1,0,0]=3 436 B16R2.26 OCc1cccnc1c2ccc(cn2)Cl 271570a_200000049369_100000748726 [0,1,1,0,0,0|1,0,1]=4 437 B16R2.26 OCc1cccnc1c2ccc(cn2)F 271570a_100000117362_100000748726 [0,1,1,0,0,0|1,0,1]=4 438 B16R2.87 C=C(C)c1ccccc1c2ccccc2 271570a_100000694244_100000033479 [0,1,1,0,0,0|2,0,0]=4 439 B16R2.87 C=C(C)c1ccccc1c2ccccn2 271570a_100000694244_100010202516 [0,1,1,0,0,0|1,0,0]=3 440 B16R2.87 C=C(C)c1cccnc1c2ccccc2 271570a_100000694244_100010138707 [0,1,1,0,0,0|1,0,0]=3 441 B16R2.87 C=C(C)c1cncnc1c2ccccc2 271570a_100000694244_200009816525 [0,1,1,0,0,0|2,0,0]=4 442 B16R2.87 CC(=O)c1ccccc1c2ccccn2 1458a_200011894344_200000210301 [0,1,1,0,0,0|1,0,1]=4 443 B16R2.87 CC(=O)c1ccccc1c2ccccn2 271570a_100010158976_100011216584 [0,1,1,0,0,0|1,0,1]=4 444 B16R2.87 CC(=O)c1ccccc1c2ccccn2 271570a_100011264011_100000751169 [0,1,1,0,0,0|1,0,1]=4 445 B16R2.87 CC(=O)c1cccnc1c2ccccc2 271570a_100011218836_100000753718 [0,1,1,0,0,0|1,0,1]=4 446 B16R2.87 CC(=O)c1cccnc1c2ccccn2 271570a_100011264011_100000753718 [0,1,1,0,0,0|0,0,1]=3 447 B16R2.87 CC(=O)c1cccnc1c2cnccn2 271570a_100011962566_100000753718 [0,1,1,0,0,0|1,0,1]=4 448 B16R2.87 CC(=O)c1nccnc1c2ccccn2 271570a_100011264011_100000099859 [0,1,1,0,0,0|1,0,1]=4 449 B16R2.87 CC(C)c1cccnc1c2ccccn2 271570a_100011264011_200010382935 [0,1,1,0,0,0|0,0,2]=4 450 B16R2.87 CC(O)c1cccnc1c2ccccn2 271570a_100011264011_100009865335 [0,1,1,0,0,0|0,0,2]=4 451 B16R2.87 FC(F)c1cccnc1c2ccccn2 271570a_100011264011_100010136063 [0,1,1,0,0,0|1,0,1]=4 452 B16R2.87 NC(=O)c1ccccc1c2ccccn2 271570a_100000041535_100011216584 [0,1,1,0,0,0|2,0,0]=4 453 B16R2.87 NC(=O)c1ccccc1c2ccccn2 271570a_100011264011_100000162227 [0,1,1,0,0,0|2,0,0]=4 454 B16R2.87 NC(=O)c1cccnc1c2ccccc2 271570a_100011218836_100000162199 [0,1,1,0,0,0|2,0,0]=4 455 B16R2.87 NC(=O)c1cccnc1c2ccccn2 271570a_100011264011_100000162199 [0,1,1,0,0,0|1,0,0]=3 456 B16R2.87 NC(=O)c1cccnc1c2cnccn2 271570a_100011962566_100000162199 [0,1,1,0,0,0|2,0,0]=4 457 B16R2.87 NC(=O)c1nccnc1c2ccccn2 271570a_100011264011_100000094861 [0,1,1,0,0,0|2,0,0]=4 458 B16R2.87 OB(O)c1cccnc1c2ccccn2 271570a_100011264011_100009815992 [0,1,1,0,0,0|2,0,0]=4 459 B16R2.87 [13CH3]C(=O)c1ccccc1c2ccccn2 1458a_200011894344_200025704644 [0,1,1,0,0,0|1,0,1]=4 460 B16R2.98 C=C=Cc1ccccc1c2ccccc2 271570a_100015277604_100000033479 [0,1,1,0,0,0|2,0,0]=4 461 B16R2.98 C=C=Cc1ccccc1c2ccccn2 271570a_100015277604_100010202516 [0,1,1,0,0,0|1,0,0]=3 462 B16R2.98 C=C=Cc1cccnc1c2ccccc2 271570a_100015277604_100010138707 [0,1,1,0,0,0|1,0,0]=3 463 B16R2.98 C=C=Cc1cncnc1c2ccccc2 271570a_100015277604_200009816525 [0,1,1,0,0,0|2,0,0]=4 464 B16R2.98 C=CCc1ccccc1c2ccccc2 271570a_100011218836_100009828059 [0,1,1,0,0,0|2,0,0]=4 465 B16R2.98 C=CCc1ccccc1c2ccccc2 271570a_200010742005_100000210277 [0,1,1,0,0,0|2,0,0]=4 466 B16R2.98 C=CCc1ccccc1c2ccccn2 271570a_100011264011_100009828059 [0,1,1,0,0,0|1,0,0]=3 467 B16R2.98 C=CCc1ccccc1c2ccccn2 271570a_200010742005_100011216584 [0,1,1,0,0,0|1,0,0]=3 468 B16R2.98 C=CCc1ccccc1c2cccnn2 271570a_200010742005_100016991348 [0,1,1,0,0,0|2,0,0]=4 469 B16R2.98 C=CCc1ccccc1c2ccncn2 271570a_200010742005_100000703185 [0,1,1,0,0,0|2,0,0]=4 470 B16R2.98 C=CCc1ccccc1c2cnccn2 271570a_100011962566_100009828059 [0,1,1,0,0,0|2,0,0]=4 471 B16R2.98 C=CCc1ccccc1c2cnccn2 271570a_200010742005_100000758340 [0,1,1,0,0,0|2,0,0]=4 472 B16R2.98 C=CCc1ccccc1c2ncccn2 271570a_200010742005_100000211032 [0,1,1,0,0,0|2,0,0]=4 473 B16R2.98 CC=Cc1ccccc1c2ccccc2 271570a_100016259895_100000033479 [0,1,1,0,0,0|2,0,0]=4 474 B16R2.98 CC=Cc1ccccc1c2ccccn2 271570a_100016259895_100010202516 [0,1,1,0,0,0|1,0,0]=3 475 B16R2.98 CC=Cc1cccnc1c2ccccc2 271570a_100016259895_100010138707 [0,1,1,0,0,0|1,0,0]=3 476 B16R2.98 CC=Cc1cncnc1c2ccccc2 271570a_100016259895_200009816525 [0,1,1,0,0,0|2,0,0]=4 477 B16R2.98 CCOc1cccnc1c2ccccn2 271570a_100011264011_100011597540 [0,1,1,0,0,0|0,0,2]=4 478 B16R2.98 CNCc1cccnc1c2ccccn2 271570a_100011264011_103496529121 [0,1,1,0,0,0|0,0,2]=4 479 B16R2.98 N#CCc1cccnc1c2ccccn2 271570a_100011264011_100000096391 [0,1,1,0,0,0|0,0,2]=4 480 B16R2.98 O=CNc1ccccc1c2ccccn2 271570a_200000040256_100011216584 [0,1,1,0,0,0|2,0,0]=4 481 B16R2.1512 O=Cc1cccc(c1c2ccccn2)F 271570a_100011264011_100011998484 [0,1,1,0,0,0|2,0,0]=4 482 B16R2.1512 O=Cc1cccc(c1c2ccccn2)O 271570a_100011264011_100009816417 [0,1,1,0,0,0|2,0,0]=4 483 B16R2.2245 C=Cc1ccccc1c2c[n+](ccn2)[O-] 271570a_100000037480_100009880115 [0,1,1,0,0,0|2,0,0]=4 484 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)C 271570a_100000037480_100000750283 [0,1,1,0,0,0|1,0,0]=3 485 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)Cl 271570a_100000037480_100010167805 [0,1,1,0,0,0|1,0,0]=3 486 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)F 271570a_100000037480_100009817058 [0,1,1,0,0,0|1,0,0]=3 487 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)N 271570a_100000037480_100009814236 [0,1,1,0,0,0|1,0,0]=3 488 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)O 271570a_100000037480_100000762945 [0,1,1,0,0,0|1,0,0]=3 489 B16R2.2245 C=Cc1ccccc1c2cc(cnn2)C 271570a_100000037480_100000070100 [0,1,1,0,0,0|2,0,0]=4 490 B16R2.2245 C=Cc1ccccc1c2cc(cnn2)O 271570a_100000037480_200010734679 [0,1,1,0,0,0|2,0,0]=4 491 B16R2.2245 C=Cc1ccccc1c2cc(ncn2)C 271570a_100000037480_100000744208 [0,1,1,0,0,0|2,0,0]=4 492 B16R2.2245 C=Cc1ccccc1c2cc(ncn2)F 271570a_100000037480_200009880791 [0,1,1,0,0,0|2,0,0]=4 493 B16R2.2245 C=Cc1ccccc1c2cc(ncn2)N 271570a_100000037480_100000701291 [0,1,1,0,0,0|2,0,0]=4 494 B16R2.2245 C=Cc1ccccc1c2cc(ncn2)O 271570a_100000037480_100000765262 [0,1,1,0,0,0|2,0,0]=4 495 B16R2.2245 C=Cc1ccccc1c2cc[nH]c(=O)n2 271570a_100000037480_200000134032 [0,1,1,0,0,0|2,0,0]=4 496 B16R2.2245 C=Cc1ccccc1c2cccc(=O)[nH]2 271570a_100000037480_100000761760 [0,1,1,0,0,0|1,0,1]=4 497 B16R2.2245 C=Cc1ccccc1c2cccc(c2)Br 271570a_100000037480_100000691529 [0,1,1,0,0,0|2,0,0]=4 498 B16R2.2245 C=Cc1ccccc1c2cccc(c2)C 271570a_100000037480_100011215228 [0,1,1,0,0,0|2,0,0]=4 499 B16R2.2245 C=Cc1ccccc1c2cccc(c2)Cl 271570a_100000037480_100000699651 [0,1,1,0,0,0|2,0,0]=4 500 B16R2.2245 C=Cc1ccccc1c2cccc(c2)F 271570a_100000037480_100000685547 [0,1,1,0,0,0|2,0,0]=4 501 B16R2.2245 C=Cc1ccccc1c2cccc(c2)N 271570a_100000037480_100000210019 [0,1,1,0,0,0|2,0,0]=4 502 B16R2.2245 C=Cc1ccccc1c2cccc(c2)O 271570a_100000037480_100000211634 [0,1,1,0,0,0|2,0,0]=4 503 B16R2.2245 C=Cc1ccccc1c2cccc(c2)[S] 271570a_100000037480_114929384022 [0,1,1,0,0,0|2,0,0]=4 504 B16R2.2245 C=Cc1ccccc1c2cccc(n2)Br 271570a_100000037480_100000684672 [0,1,1,0,0,0|1,0,0]=3 505 B16R2.2245 C=Cc1ccccc1c2cccc(n2)C 271570a_100000037480_100000742759 [0,1,1,0,0,0|1,0,0]=3 506 B16R2.2245 C=Cc1ccccc1c2cccc(n2)F 271570a_100000037480_100009815982 [0,1,1,0,0,0|1,0,0]=3 507 B16R2.2245 C=Cc1ccccc1c2cccc(n2)N 271570a_100000037480_100000740741 [0,1,1,0,0,0|1,0,0]=3 508 B16R2.2245 C=Cc1ccccc1c2ccnc(n2)C 271570a_100000037480_100000749937 [0,1,1,0,0,0|2,0,0]=4 509 B16R2.2245 C=Cc1ccccc1c2ccnc(n2)N 271570a_100000037480_100009820717 [0,1,1,0,0,0|2,0,0]=4 510 B16R2.2245 C=Cc1ccccc1c2cncc(n2)C 271570a_100000037480_100009842155 [0,1,1,0,0,0|2,0,0]=4 511 B16R2.2245 C=Cc1ccccc1c2cncc(n2)F 271570a_100000037480_200009863489 [0,1,1,0,0,0|2,0,0]=4 512 B16R2.2245 C=Cc1ccccc1c2cncc(n2)N 271570a_100000037480_100009819714 [0,1,1,0,0,0|2,0,0]=4 513 B16R2.2245 C=Cc1ccccc1c2cncc(n2)O 271570a_100000037480_100011269956 [0,1,1,0,0,0|2,0,0]=4 514 B16R2.2245 C=Cc1ccccc1c2nccc(n2)C 271570a_100000037480_100011243806 [0,1,1,0,0,0|2,0,0]=4 515 B16R2.2245 C=Cc1ccccc1c2nccc(n2)N 271570a_100000037480_100000757536 [0,1,1,0,0,0|2,0,0]=4 516 B16R2.2245 C=Cc1ccccc1c2nccc(n2)O 271570a_100000037480_100011649813 [0,1,1,0,0,0|2,0,0]=4 517 B16R2.2245 CNc1cccnc1c2cc(ccn2)C 271570a_100000049243_200011806188 [0,1,1,0,0,0|1,0,1]=4 518 B16R2.2245 CNc1cccnc1c2cc(ccn2)F 271570a_200000087102_200011806188 [0,1,1,0,0,0|1,0,1]=4 519 B16R2.2245 CNc1cccnc1c2cccc(n2)C 271570a_100000046275_200011806188 [0,1,1,0,0,0|1,0,1]=4 520 B16R2.2245 CNc1cccnc1c2cccc(n2)Cl 271570a_100000062326_200011806188 [0,1,1,0,0,0|1,0,1]=4 521 B16R2.2245 CNc1cccnc1c2cccc(n2)F 271570a_100000090185_200011806188 [0,1,1,0,0,0|1,0,1]=4 522 B16R2.2245 CNc1cccnc1c2cccc(n2)O 271570a_100010195584_200011806188 [0,1,1,0,0,0|1,0,1]=4 523 B16R2.2245 COc1cccnc1c2cc(ccn2)C 271570a_100000049243_100000690851 [0,1,1,0,0,0|1,0,1]=4 524 B16R2.2245 COc1cccnc1c2cc(ccn2)F 271570a_200000087102_100000690851 [0,1,1,0,0,0|1,0,1]=4 525 B16R2.2245 COc1cccnc1c2cccc(n2)C 271570a_100000046275_100000690851 [0,1,1,0,0,0|1,0,1]=4 526 B16R2.2245 COc1cccnc1c2cccc(n2)Cl 271570a_100000062326_100000690851 [0,1,1,0,0,0|1,0,1]=4 527 B16R2.2245 COc1cccnc1c2cccc(n2)F 271570a_100000090185_100000690851 [0,1,1,0,0,0|1,0,1]=4 528 B16R2.2245 COc1cccnc1c2cccc(n2)O 271570a_100010195584_100000690851 [0,1,1,0,0,0|1,0,1]=4 529 B16R2.2245 Cc1cccc(c1)c2ncccc2C=O 271570a_100000749446_100009816751 [0,1,1,0,0,0|2,0,0]=4 530 B16R2.2245 Cc1cccc(n1)c2ccccc2C=O 271570a_100000046275_100000211189 [0,1,1,0,0,0|2,0,0]=4 531 B16R2.2245 Cc1cccc(n1)c2ccccc2C=O 271570a_100000740022_100000742759 [0,1,1,0,0,0|2,0,0]=4 532 B16R2.2245 Cc1cccc(n1)c2ncccc2C#N 271570a_100000046275_100000211984 [0,1,1,0,0,0|1,0,1]=4 533 B16R2.2245 Cc1cccc(n1)c2ncccc2C=O 271570a_100000046275_100009816751 [0,1,1,0,0,0|1,0,0]=3 534 B16R2.2245 Cc1cccc(n1)c2ncccc2CN 271570a_100000046275_100015189234 [0,1,1,0,0,0|1,0,1]=4 535 B16R2.2245 Cc1cccc(n1)c2ncccc2CO 271570a_100000046275_100000748726 [0,1,1,0,0,0|1,0,1]=4 536 B16R2.2245 Cc1ccnc(c1)c2ccccc2C=O 271570a_100000049243_100000211189 [0,1,1,0,0,0|2,0,0]=4 537 B16R2.2245 Cc1ccnc(c1)c2ccccc2C=O 271570a_100000740022_100000750283 [0,1,1,0,0,0|2,0,0]=4 538 B16R2.2245 Cc1ccnc(c1)c2ncccc2C#N 271570a_100000049243_100000211984 [0,1,1,0,0,0|1,0,1]=4 539 B16R2.2245 Cc1ccnc(c1)c2ncccc2C=O 271570a_100000049243_100009816751 [0,1,1,0,0,0|1,0,0]=3 540 B16R2.2245 Cc1ccnc(c1)c2ncccc2CN 271570a_100000049243_100015189234 [0,1,1,0,0,0|1,0,1]=4 541 B16R2.2245 Cc1ccnc(c1)c2ncccc2CO 271570a_100000049243_100000748726 [0,1,1,0,0,0|1,0,1]=4 542 B16R2.2245 N#Cc1cccnc1c2cc(ccn2)F 271570a_200000087102_100000211984 [0,1,1,0,0,0|1,0,1]=4 543 B16R2.2245 N#Cc1cccnc1c2cccc(n2)Cl 271570a_100000062326_100000211984 [0,1,1,0,0,0|1,0,1]=4 544 B16R2.2245 N#Cc1cccnc1c2cccc(n2)F 271570a_100000090185_100000211984 [0,1,1,0,0,0|1,0,1]=4 545 B16R2.2245 N#Cc1cccnc1c2cccc(n2)O 271570a_100010195584_100000211984 [0,1,1,0,0,0|1,0,1]=4 546 B16R2.2245 NCc1cccnc1c2cc(ccn2)F 271570a_200000087102_100015189234 [0,1,1,0,0,0|1,0,1]=4 547 B16R2.2245 NCc1cccnc1c2cccc(n2)Cl 271570a_100000062326_100015189234 [0,1,1,0,0,0|1,0,1]=4 548 B16R2.2245 NCc1cccnc1c2cccc(n2)F 271570a_100000090185_100015189234 [0,1,1,0,0,0|1,0,1]=4 549 B16R2.2245 NCc1cccnc1c2cccc(n2)O 271570a_100010195584_100015189234 [0,1,1,0,0,0|1,0,1]=4 550 B16R2.2245 Nc1cccc(c1)c2ncccc2C=O 271570a_100000699968_100009816751 [0,1,1,0,0,0|2,0,0]=4 551 B16R2.2245 Nc1cccc(n1)c2ccccc2C=O 271570a_100000740022_100000740741 [0,1,1,0,0,0|2,0,0]=4 552 B16R2.2245 Nc1ccnc(c1)c2ccccc2C=O 271570a_100000740022_100009814236 [0,1,1,0,0,0|2,0,0]=4 553 B16R2.2245 O=Cc1ccccc1c2cc(ccn2)Cl 271570a_100000740022_100010167805 [0,1,1,0,0,0|2,0,0]=4 554 B16R2.2245 O=Cc1ccccc1c2cc(ccn2)F 271570a_100000740022_100009817058 [0,1,1,0,0,0|2,0,0]=4 555 B16R2.2245 O=Cc1ccccc1c2cc(ccn2)F 271570a_200000087102_100000211189 [0,1,1,0,0,0|2,0,0]=4 556 B16R2.2245 O=Cc1ccccc1c2cc(ccn2)O 271570a_100000740022_100000762945 [0,1,1,0,0,0|2,0,0]=4 557 B16R2.2245 O=Cc1ccccc1c2cccc(n2)Br 271570a_100000740022_100000684672 [0,1,1,0,0,0|2,0,0]=4 558 B16R2.2245 O=Cc1ccccc1c2cccc(n2)Cl 271570a_100000062326_100000211189 [0,1,1,0,0,0|2,0,0]=4 559 B16R2.2245 O=Cc1ccccc1c2cccc(n2)F 271570a_100000090185_100000211189 [0,1,1,0,0,0|2,0,0]=4 560 B16R2.2245 O=Cc1ccccc1c2cccc(n2)F 271570a_100000740022_100009815982 [0,1,1,0,0,0|2,0,0]=4 561 B16R2.2245 O=Cc1ccccc1c2cccc(n2)O 271570a_100010195584_100000211189 [0,1,1,0,0,0|2,0,0]=4 562 B16R2.2245 O=Cc1ccccc1c2cccc(n2)O 271570a_203496583355_100010163230 [0,1,1,0,0,0|2,0,0]=4 563 B16R2.2245 O=Cc1cccnc1c2cc(ccn2)F 271570a_200000087102_100009816751 [0,1,1,0,0,0|1,0,0]=3 564 B16R2.2245 O=Cc1cccnc1c2cccc(c2)Cl 271570a_100011214927_100009816751 [0,1,1,0,0,0|2,0,0]=4 565 B16R2.2245 O=Cc1cccnc1c2cccc(c2)F 271570a_100012349223_100009816751 [0,1,1,0,0,0|2,0,0]=4 566 B16R2.2245 O=Cc1cccnc1c2cccc(c2)I 271570a_100000043368_100009816751 [0,1,1,0,0,0|2,0,0]=4 567 B16R2.2245 O=Cc1cccnc1c2cccc(c2)O 271570a_100000693801_100009816751 [0,1,1,0,0,0|2,0,0]=4 568 B16R2.2245 O=Cc1cccnc1c2cccc(n2)Cl 271570a_100000062326_100009816751 [0,1,1,0,0,0|1,0,0]=3 569 B16R2.2245 O=Cc1cccnc1c2cccc(n2)F 271570a_100000090185_100009816751 [0,1,1,0,0,0|1,0,0]=3 570 B16R2.2245 O=Cc1cccnc1c2cccc(n2)O 271570a_100010195584_100009816751 [0,1,1,0,0,0|1,0,0]=3 571 B16R2.2245 OCc1cccnc1c2cc(ccn2)F 271570a_200000087102_100000748726 [0,1,1,0,0,0|1,0,1]=4 572 B16R2.2245 OCc1cccnc1c2cccc(n2)Cl 271570a_100000062326_100000748726 [0,1,1,0,0,0|1,0,1]=4 573 B16R2.2245 OCc1cccnc1c2cccc(n2)F 271570a_100000090185_100000748726 [0,1,1,0,0,0|1,0,1]=4 574 B16R2.2245 OCc1cccnc1c2cccc(n2)O 271570a_100010195584_100000748726 [0,1,1,0,0,0|1,0,1]=4 575 B16R2.2443 C=Cc1ccc(cc1c2ccccc2)N 271570a_100011290941_200010239565 [0,1,1,0,0,0|2,0,0]=4 576 B16R2.2443 COc1ccc(nc1c2ccccn2)C 271570a_100011264011_100009820875 [0,1,1,0,0,0|1,0,1]=4 577 B16R2.2443 COc1ccc(nc1c2ccccn2)N 271570a_100011264011_100010172607 [0,1,1,0,0,0|1,0,1]=4 578 B16R2.2443 Cc1ccc(c(c1)c2ccccn2)C=O 271570a_100000117001_100011216584 [0,1,1,0,0,0|2,0,0]=4 579 B16R2.2443 Cc1ccc(c(c1)c2ccccn2)C=O 271570a_100011264011_100000692596 [0,1,1,0,0,0|2,0,0]=4 580 B16R2.2443 Cc1ccc(c(n1)c2ccccc2)C=O 271570a_100011218836_100000085379 [0,1,1,0,0,0|2,0,0]=4 581 B16R2.2443 Cc1ccc(c(n1)c2ccccn2)C#N 271570a_100011264011_100000741175 [0,1,1,0,0,0|1,0,1]=4 582 B16R2.2443 Cc1ccc(c(n1)c2ccccn2)C=O 271570a_100011264011_100000085379 [0,1,1,0,0,0|1,0,0]=3 583 B16R2.2443 Cc1ccc(c(n1)c2ccccn2)CO 271570a_100011264011_102495338573 [0,1,1,0,0,0|1,0,1]=4 584 B16R2.2443 Cc1ccc(c(n1)c2cnccn2)C=O 271570a_100011962566_100000085379 [0,1,1,0,0,0|2,0,0]=4 585 B16R2.2443 N#Cc1ccc(nc1c2ccccn2)N 271570a_100011264011_100000144572 [0,1,1,0,0,0|1,0,1]=4 586 B16R2.2443 O=Cc1ccc(cc1c2ccccn2)Br 271570a_100011264011_100010146562 [0,1,1,0,0,0|2,0,0]=4 587 B16R2.2443 O=Cc1ccc(cc1c2ccccn2)Cl 271570a_100010223337_100011216584 [0,1,1,0,0,0|2,0,0]=4 588 B16R2.2443 O=Cc1ccc(cc1c2ccccn2)F 271570a_100000097291_100011216584 [0,1,1,0,0,0|2,0,0]=4 589 B16R2.2443 O=Cc1ccc(cc1c2ccccn2)F 271570a_100011264011_100000752949 [0,1,1,0,0,0|2,0,0]=4 590 B16R2.2443 O=Cc1ccc(cc1c2ccccn2)O 271570a_100010081635_100011216584 [0,1,1,0,0,0|2,0,0]=4 591 B16R2.2443 O=Cc1ccc(cc1c2ccccn2)O 271570a_100011264011_100011236494 [0,1,1,0,0,0|2,0,0]=4 592 B16R2.2443 O=Cc1ccc(nc1c2ccccc2)F 271570a_100011218836_100009846357 [0,1,1,0,0,0|2,0,0]=4 593 B16R2.2443 O=Cc1ccc(nc1c2ccccn2)F 271570a_100011264011_100009846357 [0,1,1,0,0,0|1,0,0]=3 594 B16R2.2443 O=Cc1ccc(nc1c2cnccn2)F 271570a_100011962566_100009846357 [0,1,1,0,0,0|2,0,0]=4 595 B16R2.2474 C=Cc1ccccc1c2cccc[n+]2C 271570a_100000037480_100000212160 [0,1,1,0,0,0|1,0,1]=4 596 B16R2.2474 C=Cc1ccccc1c2cccc[n+]2[O-] 271570a_100000037480_200000042595 [0,1,1,0,0,0|1,0,1]=4 597 B16R2.2474 C=Cc1ccccc1c2ccccc2Br 271570a_100000037480_100000695589 [0,1,1,0,0,0|2,0,0]=4 598 B16R2.2474 C=Cc1ccccc1c2ccccc2C 271570a_100000037480_100000210755 [0,1,1,0,0,0|2,0,0]=4 599 B16R2.2474 C=Cc1ccccc1c2ccccc2Cl 271570a_100000037480_100000764095 [0,1,1,0,0,0|2,0,0]=4 600 B16R2.2474 C=Cc1ccccc1c2ccccc2F 271570a_100000037480_100011215700 [0,1,1,0,0,0|2,0,0]=4 601 B16R2.2474 C=Cc1ccccc1c2ccccc2N 271570a_100000037480_100000210017 [0,1,1,0,0,0|2,0,0]=4 602 B16R2.2474 C=Cc1ccccc1c2ccccc2O 271570a_100000037480_100000739446 [0,1,1,0,0,0|2,0,0]=4 603 B16R2.2474 C=Cc1ccccc1c2ncc[nH]c2=O 271570a_100000037480_100000763361 [0,1,1,0,0,0|2,0,0]=4 604 B16R2.2474 C=Cc1ccccc1c2ncccc2Br 271570a_100000037480_100000696092 [0,1,1,0,0,0|1,0,0]=3 605 B16R2.2474 C=Cc1ccccc1c2ncccc2C 271570a_100000037480_100000751373 [0,1,1,0,0,0|1,0,0]=3 606 B16R2.2474 C=Cc1ccccc1c2ncccc2Cl 271570a_100000037480_100011356963 [0,1,1,0,0,0|1,0,0]=3 607 B16R2.2474 C=Cc1ccccc1c2ncccc2F 271570a_100000037480_100000685392 [0,1,1,0,0,0|1,0,0]=3 608 B16R2.2474 C=Cc1ccccc1c2ncccc2N 271570a_100000037480_100000688686 [0,1,1,0,0,0|1,0,0]=3 609 B16R2.2474 C=Cc1ccccc1c2ncccc2O 271570a_100000037480_100000034122 [0,1,1,0,0,0|1,0,0]=3 610 B16R2.2474 C=Cc1ccccc1c2nccnc2C 271570a_100000037480_100011999405 [0,1,1,0,0,0|2,0,0]=4 611 B16R2.2474 C=Cc1ccccc1c2nccnc2F 271570a_100000037480_200010125657 [0,1,1,0,0,0|2,0,0]=4 612 B16R2.2474 C=Cc1ccccc1c2nccnc2N 271570a_100000037480_100000747729 [0,1,1,0,0,0|2,0,0]=4 613 B16R2.2474 C=Cc1ccccc1c2ncncc2C 271570a_100000037480_100011998708 [0,1,1,0,0,0|2,0,0]=4 614 B16R2.2474 C=Cc1ccccc1c2ncncc2F 271570a_100000037480_100000069762 [0,1,1,0,0,0|2,0,0]=4 615 B16R2.2474 C=Cc1ccccc1c2ncncc2N 271570a_100000037480_100000709731 [0,1,1,0,0,0|2,0,0]=4 616 B16R2.2474 C=Cc1ccccc1c2nnccc2C 271570a_100000037480_100000089043 [0,1,1,0,0,0|2,0,0]=4 617 B16R2.2474 C=Cc1cncnc1c2ccccc2C 271570a_100011290941_200009817050 [0,1,1,0,0,0|2,0,0]=4 618 B16R2.2474 CNc1cccnc1c2ncccc2Cl 271570a_100009857861_200011806188 [0,1,1,0,0,0|1,0,1]=4 619 B16R2.2474 COc1cccnc1c2ncccc2Cl 271570a_100009857861_100000690851 [0,1,1,0,0,0|1,0,1]=4 620 B16R2.2474 Cc1ccccc1c2ncccc2C=O 271570a_100000747142_100009816751 [0,1,1,0,0,0|2,0,0]=4 621 B16R2.2474 Cc1cccnc1c2ccccc2C=O 271570a_100000740022_100000751373 [0,1,1,0,0,0|2,0,0]=4 622 B16R2.2474 N#Cc1cccnc1c2ncccc2Cl 271570a_100009857861_100000211984 [0,1,1,0,0,0|1,0,1]=4 623 B16R2.2474 NCc1cccnc1c2ncccc2Cl 271570a_100009857861_100015189234 [0,1,1,0,0,0|1,0,1]=4 624 B16R2.2474 Nc1ccccc1c2ncccc2C=O 271570a_100000034411_100009816751 [0,1,1,0,0,0|2,0,0]=4 625 B16R2.2474 Nc1cccnc1c2ccccc2C=O 271570a_100000740022_100000688686 [0,1,1,0,0,0|2,0,0]=4 626 B16R2.2474 O=Cc1ccccc1c2ncccc2Br 271570a_100000740022_100000696092 [0,1,1,0,0,0|2,0,0]=4 627 B16R2.2474 O=Cc1ccccc1c2ncccc2Cl 271570a_100000740022_100011356963 [0,1,1,0,0,0|2,0,0]=4 628 B16R2.2474 O=Cc1ccccc1c2ncccc2Cl 271570a_100009857861_100000211189 [0,1,1,0,0,0|2,0,0]=4 629 B16R2.2474 O=Cc1ccccc1c2ncccc2F 271570a_100000740022_100000685392 [0,1,1,0,0,0|2,0,0]=4 630 B16R2.2474 O=Cc1ccccc1c2ncccc2O 271570a_100000740022_100000034122 [0,1,1,0,0,0|2,0,0]=4 631 B16R2.2474 O=Cc1cccnc1c2ccccc2Cl 271570a_100011934419_100009816751 [0,1,1,0,0,0|2,0,0]=4 632 B16R2.2474 O=Cc1cccnc1c2ccccc2F 271570a_100000761933_100009816751 [0,1,1,0,0,0|2,0,0]=4 633 B16R2.2474 O=Cc1cccnc1c2ccccc2I 271570a_100000069755_100009816751 [0,1,1,0,0,0|2,0,0]=4 634 B16R2.2474 O=Cc1cccnc1c2ccccc2O 271570a_100000035170_100009816751 [0,1,1,0,0,0|2,0,0]=4 635 B16R2.2474 O=Cc1cccnc1c2ncccc2Cl 271570a_100009857861_100009816751 [0,1,1,0,0,0|1,0,0]=3 636 B16R2.2474 OCc1cccnc1c2ncccc2Cl 271570a_100009857861_100000748726 [0,1,1,0,0,0|1,0,1]=4 637 B16R2.2602 COc1c(ccnc1c2ccccn2)N 271570a_100011264011_100000104429 [0,1,1,0,0,0|1,0,1]=4 638 B16R2.2602 COc1c(ccnc1c2ccccn2)O 271570a_100011264011_100000104430 [0,1,1,0,0,0|1,0,1]=4 639 B16R2.2602 Cc1cccc(c1C=O)c2ccccn2 271570a_100011264011_100000041122 [0,1,1,0,0,0|2,0,0]=4 640 B16R2.2602 Cc1ccnc(c1C#N)c2ccccn2 271570a_100011264011_100000691447 [0,1,1,0,0,0|1,0,1]=4 641 B16R2.2602 Nc1cccc(c1C=O)c2ccccn2 271570a_100011264011_100010232536 [0,1,1,0,0,0|2,0,0]=4 642 B16R2.2602 Nc1ncnc(c1C=O)c2ccccn2 271570a_100011264011_100000765549 [0,1,1,0,0,0|2,0,0]=4 643 B16R2.2602 O=Cc1c(cccc1c2ccccn2)Cl 271570a_100009861587_100011216584 [0,1,1,0,0,0|2,0,0]=4 644 B16R2.2602 O=Cc1c(cccc1c2ccccn2)Cl 271570a_100011264011_100010147682 [0,1,1,0,0,0|2,0,0]=4 645 B16R2.2602 O=Cc1c(cccc1c2ccccn2)F 271570a_100010144235_100011216584 [0,1,1,0,0,0|2,0,0]=4 646 B16R2.2602 O=Cc1c(cccc1c2ccccn2)F 271570a_100011264011_100000210083 [0,1,1,0,0,0|2,0,0]=4 647 B16R2.2602 O=Cc1c(cccc1c2ccccn2)O 271570a_100011264011_100009814793 [0,1,1,0,0,0|2,0,0]=4 648 B16R2.2602 O=Cc1c(ccnc1c2ccccc2)O 271570a_100011218836_200010729673 [0,1,1,0,0,0|2,0,0]=4 649 B16R2.2602 O=Cc1c(ccnc1c2ccccn2)O 271570a_100011264011_200010729673 [0,1,1,0,0,0|1,0,0]=3 650 B16R2.2602 O=Cc1c(ccnc1c2cnccn2)O 271570a_100011962566_200010729673 [0,1,1,0,0,0|2,0,0]=4 651 B16R2.477 CC(C)C=Cc1ccc2cccnc2c1 271570a_100016257149_100009816655 [0,1,1,0,0,0|1,0,1]=4 652 B16R2.477 CC(O)C=Cc1ccc2cccnc2c1 271570a_200011019289_100009816655 [0,1,1,0,0,0|1,0,1]=4 653 B16R2.767 C=CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210623 [0,1,1,0,0,0|1,0,1]=4 654 B16R2.2441 C/C=C/CNc1ccc2cccnc2c1 34a_100102887122_100102629194 [0,1,1,0,0,0|1,0,1]=4 655 B16R2.2441 C/C=C/COc1ccc2cccnc2c1 34a_100011216045_100102629194 [0,1,1,0,0,0|1,0,1]=4 656 B16R2.2441 C/C=C/CSc1ccc2cccnc2c1 62a_100102629194_100009816655 [0,1,1,0,0,0|1,0,1]=4 657 B16R2.2441 CC=CCNc1ccc2cccnc2c1 34a_100102887122_100000070051 [0,1,1,0,0,0|1,0,1]=4 658 B16R2.2441 CC=CCOc1ccc2cccnc2c1 34a_100011216045_100000070051 [0,1,1,0,0,0|1,0,1]=4 659 B16R2.2441 CC=CCSc1ccc2cccnc2c1 62a_100000070051_100009816655 [0,1,1,0,0,0|1,0,1]=4 660 B16R2.2441 CCCC=Cc1ccc2cccnc2c1 271570a_100016258520_100009816655 [0,1,1,0,0,0|1,0,1]=4 661 B16R2.2441 CCOC=Cc1ccc2cccnc2c1 271570a_100016256518_100009816655 [0,1,1,0,0,0|1,0,1]=4 662 B16R2.2441 COCC=Cc1ccc2cccnc2c1 271570a_100016286323_100009816655 [0,1,1,0,0,0|1,0,1]=4 663 B16R2.5347 C=CC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000185746 [0,1,1,0,0,0|2,0,0]=4 664 B16R2.5347 C=CC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000185746 [0,1,1,0,0,0|2,0,0]=4 665 B16R2.2996 Cc1ccc(c(n1)c2ncccc2Cl)C 271570a_100009857861_100009854376 [0,1,1,0,0,0|1,0,1]=4 666 B16R2.2996 Cc1ccc(c(n1)c2ncccc2Cl)F 271570a_100009857861_100009817602 [0,1,1,0,0,0|2,0,0]=4 667 B16R2.2996 Cc1ccc(c(n1)c2ncccc2Cl)N 271570a_100009857861_100000685570 [0,1,1,0,0,0|2,0,0]=4 668 B16R2.2996 Cc1ccc(c(n1)c2ncccc2Cl)O 271570a_100009857861_100000702858 [0,1,1,0,0,0|2,0,0]=4 669 B16R2.2996 Cc1ccc(nc1c2ncccc2Cl)N 271570a_100009857861_100000126722 [0,1,1,0,0,0|1,0,1]=4 670 B16R2.2996 Fc1ccc(c(n1)c2ncccc2Cl)F 271570a_100009857861_100010997973 [0,1,1,0,0,0|2,0,0]=4 671 B16R2.2996 Fc1ccc(nc1c2ncccc2Cl)Cl 271570a_100009857861_100010136221 [0,1,1,0,0,0|2,0,0]=4 672 B16R2.2996 Nc1ccc(c(n1)c2ncccc2Cl)Br 271570a_100009857861_100010192275 [0,1,1,0,0,0|2,0,0]=4 673 B16R2.2996 Nc1ccc(c(n1)c2ncccc2Cl)F 271570a_100009857861_100010892222 [0,1,1,0,0,0|2,0,0]=4 674 B16R2.2996 Nc1ccc(c(n1)c2ncccc2Cl)N 271570a_100009857861_200009884323 [0,1,1,0,0,0|2,0,0]=4 675 B16R2.2996 Nc1ccc(nc1c2ncccc2Cl)Br 271570a_100009857861_100010168765 [0,1,1,0,0,0|2,0,0]=4 676 B16R2.2996 Nc1ccc(nc1c2ncccc2Cl)Cl 271570a_100009857861_100010233647 [0,1,1,0,0,0|2,0,0]=4 677 B16R2.2996 Nc1ccc(nc1c2ncccc2Cl)F 271570a_100009857861_100009879877 [0,1,1,0,0,0|2,0,0]=4 678 B16R2.2996 Oc1ccc(nc1c2ncccc2Cl)Br 271570a_100009857861_100010253912 [0,1,1,0,0,0|2,0,0]=4 679 B16R2.2996 Oc1ccc(nc1c2ncccc2Cl)Cl 271570a_100009857861_100000696390 [0,1,1,0,0,0|2,0,0]=4 680 B16R2.2996 Oc1ccc(nc1c2ncccc2Cl)F 271570a_100009857861_100010382442 [0,1,1,0,0,0|2,0,0]=4 681 B16R2.3273 Cc1c(ccnc1c2ncccc2Cl)F 271570a_100009857861_100009846374 [0,1,1,0,0,0|1,0,1]=4 682 B16R2.3273 Cc1c(ccnc1c2ncccc2Cl)N 271570a_100009857861_100009980296 [0,1,1,0,0,0|1,0,1]=4 683 B16R2.3273 Cc1ccnc(c1C)c2ncccc2Cl 271570a_100009857861_100009847204 [0,1,1,0,0,0|1,0,1]=4 684 B16R2.3273 Cc1ccnc(c1F)c2ncccc2Cl 271570a_100009857861_100009817629 [0,1,1,0,0,0|2,0,0]=4 685 B16R2.3273 Cc1ccnc(c1N)c2ncccc2Cl 271570a_100009857861_100000763560 [0,1,1,0,0,0|2,0,0]=4 686 B16R2.3273 Cc1ccnc(c1O)c2ncccc2Cl 271570a_100009857861_100000696282 [0,1,1,0,0,0|2,0,0]=4 687 B16R2.3273 Nc1c(ccnc1c2ncccc2Cl)O 271570a_100009857861_100000128729 [0,1,1,0,0,0|2,0,0]=4 688 B16R2.3273 Nc1ccnc(c1F)c2ncccc2Cl 271570a_100009857861_100015205195 [0,1,1,0,0,0|2,0,0]=4 689 B16R2.3273 Nc1ccnc(c1N)c2ncccc2Cl 271570a_100009857861_100000085203 [0,1,1,0,0,0|2,0,0]=4 690 B16R2.3273 Oc1c(ccnc1c2ncccc2Cl)F 271570a_100009857861_100009867227 [0,1,1,0,0,0|2,0,0]=4 691 B16R2.3273 Oc1ccnc(c1F)c2ncccc2Cl 271570a_100009857861_100009876375 [0,1,1,0,0,0|2,0,0]=4 692 B16R2.26183 Cc1cc(cnc1c2ncccc2Cl)Br 271570a_100009857861_100012353652 [0,1,1,0,0,0|1,0,1]=4 693 B16R2.26183 Cc1cc(cnc1c2ncccc2Cl)F 271570a_100009857861_100009817009 [0,1,1,0,0,0|1,0,1]=4 694 B16R2.26183 Cc1cc(cnc1c2ncccc2Cl)N 271570a_100009857861_100000761747 [0,1,1,0,0,0|1,0,1]=4 695 B16R2.26183 Cc1cc(cnc1c2ncccc2Cl)O 271570a_100009857861_100012000486 [0,1,1,0,0,0|1,0,1]=4 696 B16R2.26183 Cc1cccnc1c2ncc(cc2Cl)Cl 271570a_200000090569_100000751373 [0,1,1,0,0,0|1,0,1]=4 697 B16R2.26183 Cc1cnc(c(c1)C)c2ncccc2Cl 271570a_100009857861_100009864548 [0,1,1,0,0,0|1,0,1]=4 698 B16R2.26183 Cc1cnc(c(c1)F)c2ncccc2Cl 271570a_100009857861_100009819633 [0,1,1,0,0,0|2,0,0]=4 699 B16R2.26183 Cc1cnc(c(c1)N)c2ncccc2Cl 271570a_100009857861_100000733613 [0,1,1,0,0,0|2,0,0]=4 700 B16R2.26183 Cc1cnc(c(c1)O)c2ncccc2Cl 271570a_100009857861_100012000487 [0,1,1,0,0,0|2,0,0]=4 701 B16R2.26183 Clc1cnc(c(c1)Br)c2ncccc2Cl 271570a_100009857861_100012154958 [0,1,1,0,0,0|2,0,0]=4 702 B16R2.26183 Clc1cnc(c(c1)Cl)c2ncccc2Br 271570a_200000090569_100000696092 [0,1,1,0,0,0|2,0,0]=4 703 B16R2.26183 Clc1cnc(c(c1)Cl)c2ncccc2Cl 271570a_200000090569_100011356963 [0,1,1,0,0,0|2,0,0]=4 704 B16R2.26183 Fc1cc(cnc1c2ncccc2Cl)Br 271570a_100009857861_100012348576 [0,1,1,0,0,0|2,0,0]=4 705 B16R2.26183 Fc1cc(cnc1c2ncccc2Cl)Cl 271570a_100009857861_100012348686 [0,1,1,0,0,0|2,0,0]=4 706 B16R2.26183 Fc1cccnc1c2ncc(cc2Cl)Cl 271570a_200000090569_100000685392 [0,1,1,0,0,0|2,0,0]=4 707 B16R2.26183 Fc1cnc(c(c1)F)c2ncccc2Cl 271570a_100009857861_100011219543 [0,1,1,0,0,0|2,0,0]=4 708 B16R2.26183 Nc1cc(cnc1c2ncccc2Cl)Br 271570a_100009857861_100010090555 [0,1,1,0,0,0|2,0,0]=4 709 B16R2.26183 Nc1cc(cnc1c2ncccc2Cl)F 271570a_100009857861_100009817643 [0,1,1,0,0,0|2,0,0]=4 710 B16R2.26183 Nc1cccnc1c2ncc(cc2Cl)Cl 271570a_200000090569_100000688686 [0,1,1,0,0,0|2,0,0]=4 711 B16R2.26183 Nc1cnc(c(c1)F)c2ncccc2Cl 271570a_100009857861_100010280766 [0,1,1,0,0,0|2,0,0]=4 712 B16R2.26183 Nc1cnc(c(c1)N)c2ncccc2Cl 271570a_100009857861_200000093520 [0,1,1,0,0,0|2,0,0]=4 713 B16R2.26183 Oc1cc(cnc1c2ncccc2Cl)Br 271570a_100009857861_100010210634 [0,1,1,0,0,0|2,0,0]=4 714 B16R2.26183 Oc1cc(cnc1c2ncccc2Cl)Cl 271570a_100009857861_100010233512 [0,1,1,0,0,0|2,0,0]=4 715 B16R2.26183 Oc1cc(cnc1c2ncccc2Cl)F 271570a_100009857861_100000079967 [0,1,1,0,0,0|2,0,0]=4 716 B16R2.26183 Oc1cccnc1c2ncc(cc2Cl)Cl 271570a_200000090569_100000034122 [0,1,1,0,0,0|2,0,0]=4 717 B16R2.26183 Oc1cnc(c(c1)F)c2ncccc2Cl 271570a_100009857861_100000063512 [0,1,1,0,0,0|2,0,0]=4 718 B16R2.6148 C=C(C)c1ccc2cccnc2c1OC 271570a_100000694244_100010256708 [0,1,1,0,0,0|1,0,1]=4 719 B16R2.28256 C=C=Cc1ccc2cccnc2c1OC 271570a_100015277604_100010256708 [0,1,1,0,0,0|1,0,1]=4 720 B16R2.28256 CC=Cc1ccc2cccnc2c1OC 271570a_100016259895_100010256708 [0,1,1,0,0,0|1,0,1]=4 721 B16R2.71 Brc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000695589 [0,1,1,0,0,0|2,0,0]=4 722 B16R2.71 Brc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000695589 [0,1,1,0,0,0|1,0,0]=3 723 B16R2.71 Brc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000696092 [0,1,1,0,0,0|2,0,0]=4 724 B16R2.71 Brc1ccncc1C=Cc2ccccc2 271570a_100102527694_100010138639 [0,1,1,0,0,0|1,0,0]=3 725 B16R2.71 Brc1ccncc1C=Cc2cccnc2 271570a_100102525586_100010138639 [0,1,1,0,0,0|0,0,0]=2 726 B16R2.71 Brc1ccncc1SCc2cccnc2 62a_100000741622_100010138639 [0,1,1,0,0,0|1,0,1]=4 727 B16R2.71 Brc1ccncc1SCc2cccnc2 62a_100010138639_100000741622 [0,1,1,0,0,0|1,0,1]=4 728 B16R2.71 Brc1cnccc1C=Cc2cccnc2 271570a_100102525586_100000726257 [0,1,1,0,0,0|2,0,0]=4 729 B16R2.71 Brc1ncccc1C=Cc2ccccc2 271570a_100102527694_100010202626 [0,1,1,0,0,0|1,0,0]=3 730 B16R2.71 Brc1ncccc1C=Cc2cccnc2 271570a_100102525586_100010202626 [0,1,1,0,0,0|0,0,0]=2 731 B16R2.71 Brc1ncccc1COc2cccnc2 34a_100000210849_100010140945 [0,1,1,0,0,0|1,0,1]=4 732 B16R2.71 Brc1ncccc1COc2cccnc2 7a_100000210849_100010140945 [0,1,1,0,0,0|1,0,1]=4 733 B16R2.71 Brc1ncccc1CSc2cccnc2 62a_100000210063_100010140945 [0,1,1,0,0,0|1,0,1]=4 734 B16R2.71 Brc1ncccc1CSc2cccnc2 62a_100010140945_100000210063 [0,1,1,0,0,0|1,0,1]=4 735 B16R2.71 Brc1ncccc1OCc2cccnc2 34a_100000744436_100000733263 [0,1,1,0,0,0|1,0,1]=4 736 B16R2.71 Brc1ncccc1OCc2cccnc2 7a_100000744436_100000741622 [0,1,1,0,0,0|1,0,1]=4 737 B16R2.71 Brc1ncccc1SCc2cccnc2 62a_100000741622_100010202626 [0,1,1,0,0,0|1,0,1]=4 738 B16R2.71 Brc1ncccc1SCc2cccnc2 62a_100010202626_100000741622 [0,1,1,0,0,0|1,0,1]=4 739 B16R2.71 Brc1ncncc1C=Cc2ccccc2 271570a_100102527694_200012461658 [0,1,1,0,0,0|2,0,0]=4 740 B16R2.71 Brc1ncncc1C=Cc2cccnc2 271570a_100102525586_200012461658 [0,1,1,0,0,0|1,0,0]=3 741 B16R2.71 C[n+]1ccccc1C=Cc2cccnc2 271570a_100102525586_100000212160 [0,1,1,0,0,0|2,0,0]=4 742 B16R2.71 Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210755 [0,1,1,0,0,0|2,0,0]=4 743 B16R2.71 Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210755 [0,1,1,0,0,0|1,0,0]=3 744 B16R2.71 Cc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000751373 [0,1,1,0,0,0|2,0,0]=4 745 B16R2.71 Cc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000761580 [0,1,1,0,0,0|1,0,0]=3 746 B16R2.71 Cc1ccncc1C=Cc2cccnc2 271570a_100102525586_100000761580 [0,1,1,0,0,0|0,0,0]=2 747 B16R2.71 Cc1ccncc1COc2cccnc2 34a_100000210849_100000690890 [0,1,1,0,0,0|1,0,1]=4 748 B16R2.71 Cc1ccncc1COc2cccnc2 7a_100000210849_100000690890 [0,1,1,0,0,0|1,0,1]=4 749 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000210063_100000690890 [0,1,1,0,0,0|1,0,1]=4 750 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000690890_100000210063 [0,1,1,0,0,0|1,0,1]=4 751 B16R2.71 Cc1ccncc1OCc2cccnc2 34a_100011997053_100000733263 [0,1,1,0,0,0|1,0,1]=4 752 B16R2.71 Cc1ccncc1OCc2cccnc2 7a_100011997053_100000741622 [0,1,1,0,0,0|1,0,1]=4 753 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000741622_100000761580 [0,1,1,0,0,0|1,0,1]=4 754 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000761580_100000741622 [0,1,1,0,0,0|1,0,1]=4 755 B16R2.71 Cc1ccnnc1C=Cc2ccccc2 271570a_100102527694_100000089043 [0,1,1,0,0,0|2,0,0]=4 756 B16R2.71 Cc1ccnnc1C=Cc2cccnc2 271570a_100102525586_100000089043 [0,1,1,0,0,0|1,0,0]=3 757 B16R2.71 Cc1cnccc1C=Cc2cccnc2 271570a_100102525586_100015191297 [0,1,1,0,0,0|2,0,0]=4 758 B16R2.71 Cc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000751574 [0,1,1,0,0,0|1,0,0]=3 759 B16R2.71 Cc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000751574 [0,1,1,0,0,0|0,0,0]=2 760 B16R2.71 Cc1ncccc1COc2cccnc2 34a_100000210849_100000732876 [0,1,1,0,0,0|1,0,1]=4 761 B16R2.71 Cc1ncccc1COc2cccnc2 7a_100000210849_100000732876 [0,1,1,0,0,0|1,0,1]=4 762 B16R2.71 Cc1ncccc1CSc2cccnc2 62a_100000210063_100000732876 [0,1,1,0,0,0|1,0,1]=4 763 B16R2.71 Cc1ncccc1CSc2cccnc2 62a_100000732876_100000210063 [0,1,1,0,0,0|1,0,1]=4 764 B16R2.71 Cc1ncccc1OCc2cccnc2 34a_100000745507_100000733263 [0,1,1,0,0,0|1,0,1]=4 765 B16R2.71 Cc1ncccc1OCc2cccnc2 7a_100000745507_100000741622 [0,1,1,0,0,0|1,0,1]=4 766 B16R2.71 Cc1ncccc1SCc2cccnc2 62a_100000741622_100000751574 [0,1,1,0,0,0|1,0,1]=4 767 B16R2.71 Cc1ncccc1SCc2cccnc2 62a_100000751574_100000741622 [0,1,1,0,0,0|1,0,1]=4 768 B16R2.71 Cc1nccnc1C=Cc2ccccc2 271570a_100102527694_100011999405 [0,1,1,0,0,0|2,0,0]=4 769 B16R2.71 Cc1nccnc1C=Cc2cccnc2 271570a_100102525586_100011999405 [0,1,1,0,0,0|1,0,0]=3 770 B16R2.71 Cc1ncncc1C=Cc2ccccc2 271570a_100102527694_100009819671 [0,1,1,0,0,0|2,0,0]=4 771 B16R2.71 Cc1ncncc1C=Cc2cccnc2 271570a_100102525586_100009819671 [0,1,1,0,0,0|1,0,0]=3 772 B16R2.71 Clc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000764095 [0,1,1,0,0,0|2,0,0]=4 773 B16R2.71 Clc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000764095 [0,1,1,0,0,0|1,0,0]=3 774 B16R2.71 Clc1cccnc1C=Cc2cccnc2 271570a_100102525586_100011356963 [0,1,1,0,0,0|2,0,0]=4 775 B16R2.71 Clc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009995489 [0,1,1,0,0,0|1,0,0]=3 776 B16R2.71 Clc1ccncc1C=Cc2cccnc2 271570a_100102525586_100009995489 [0,1,1,0,0,0|0,0,0]=2 777 B16R2.71 Clc1ccncc1OCc2cccnc2 34a_100011996695_100000733263 [0,1,1,0,0,0|1,0,1]=4 778 B16R2.71 Clc1ccncc1SCc2cccnc2 62a_100000741622_100009995489 [0,1,1,0,0,0|1,0,1]=4 779 B16R2.71 Clc1ccncc1SCc2cccnc2 62a_100009995489_100000741622 [0,1,1,0,0,0|1,0,1]=4 780 B16R2.71 Clc1cnccc1C=Cc2cccnc2 271570a_100102525586_100000708259 [0,1,1,0,0,0|2,0,0]=4 781 B16R2.71 Clc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000036424 [0,1,1,0,0,0|1,0,0]=3 782 B16R2.71 Clc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000036424 [0,1,1,0,0,0|0,0,0]=2 783 B16R2.71 Clc1ncccc1COc2cccnc2 34a_100000210849_100000045678 [0,1,1,0,0,0|1,0,1]=4 784 B16R2.71 Clc1ncccc1COc2cccnc2 7a_100000210849_100000045678 [0,1,1,0,0,0|1,0,1]=4 785 B16R2.71 Clc1ncccc1CSc2cccnc2 62a_100000045678_100000210063 [0,1,1,0,0,0|1,0,1]=4 786 B16R2.71 Clc1ncccc1CSc2cccnc2 62a_100000210063_100000045678 [0,1,1,0,0,0|1,0,1]=4 787 B16R2.71 Clc1ncccc1OCc2cccnc2 34a_100000757616_100000733263 [0,1,1,0,0,0|1,0,1]=4 788 B16R2.71 Clc1ncccc1OCc2cccnc2 7a_100000757616_100000741622 [0,1,1,0,0,0|1,0,1]=4 789 B16R2.71 Clc1ncccc1SCc2cccnc2 62a_100000036424_100000741622 [0,1,1,0,0,0|1,0,1]=4 790 B16R2.71 Clc1ncccc1SCc2cccnc2 62a_100000741622_100000036424 [0,1,1,0,0,0|1,0,1]=4 791 B16R2.71 Clc1ncncc1C=Cc2ccccc2 271570a_100102527694_100000758962 [0,1,1,0,0,0|2,0,0]=4 792 B16R2.71 Clc1ncncc1C=Cc2cccnc2 271570a_100102525586_100000758962 [0,1,1,0,0,0|1,0,0]=3 793 B16R2.71 Fc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011215700 [0,1,1,0,0,0|2,0,0]=4 794 B16R2.71 Fc1ccccc1C=Cc2ccccc2 271570a_200102527919_100000210277 [0,1,1,0,0,0|2,0,0]=4 795 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011215700 [0,1,1,0,0,0|1,0,0]=3 796 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_200102527919_100000752921 [0,1,1,0,0,0|1,0,0]=3 797 B16R2.71 Fc1ccccc1C=Cc2cccnn2 271570a_200102527919_100016991348 [0,1,1,0,0,0|2,0,0]=4 798 B16R2.71 Fc1ccccc1C=Cc2ccnnc2 271570a_200102527919_100000732662 [0,1,1,0,0,0|2,0,0]=4 799 B16R2.71 Fc1ccccc1C=Cc2cnccn2 271570a_200102527919_100000758340 [0,1,1,0,0,0|2,0,0]=4 800 B16R2.71 Fc1ccccc1C=Cc2cncnc2 271570a_200102527919_100011206942 [0,1,1,0,0,0|2,0,0]=4 801 B16R2.71 Fc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000685392 [0,1,1,0,0,0|2,0,0]=4 802 B16R2.71 Fc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009820683 [0,1,1,0,0,0|1,0,0]=3 803 B16R2.71 Fc1ccncc1C=Cc2cccnc2 271570a_100102525586_100009820683 [0,1,1,0,0,0|0,0,0]=2 804 B16R2.71 Fc1ccncc1SCc2cccnc2 62a_100000741622_100009820683 [0,1,1,0,0,0|1,0,1]=4 805 B16R2.71 Fc1ccncc1SCc2cccnc2 62a_100009820683_100000741622 [0,1,1,0,0,0|1,0,1]=4 806 B16R2.71 Fc1cnccc1C=Cc2cccnc2 271570a_100102525586_100000047030 [0,1,1,0,0,0|2,0,0]=4 807 B16R2.71 Fc1ncccc1C=Cc2ccccc2 271570a_100102527694_100009816115 [0,1,1,0,0,0|1,0,0]=3 808 B16R2.71 Fc1ncccc1C=Cc2cccnc2 271570a_100102525586_100009816115 [0,1,1,0,0,0|0,0,0]=2 809 B16R2.71 Fc1ncccc1COc2cccnc2 34a_100000210849_100000099810 [0,1,1,0,0,0|1,0,1]=4 810 B16R2.71 Fc1ncccc1COc2cccnc2 7a_100000210849_100000099810 [0,1,1,0,0,0|1,0,1]=4 811 B16R2.71 Fc1ncccc1CSc2cccnc2 62a_100000099810_100000210063 [0,1,1,0,0,0|1,0,1]=4 812 B16R2.71 Fc1ncccc1CSc2cccnc2 62a_100000210063_100000099810 [0,1,1,0,0,0|1,0,1]=4 813 B16R2.71 Fc1ncccc1OCc2cccnc2 34a_100000061740_100000733263 [0,1,1,0,0,0|1,0,1]=4 814 B16R2.71 Fc1ncccc1OCc2cccnc2 7a_100000061740_100000741622 [0,1,1,0,0,0|1,0,1]=4 815 B16R2.71 Fc1ncccc1SCc2cccnc2 62a_100000741622_100009816115 [0,1,1,0,0,0|1,0,1]=4 816 B16R2.71 Fc1ncccc1SCc2cccnc2 62a_100009816115_100000741622 [0,1,1,0,0,0|1,0,1]=4 817 B16R2.71 Fc1nccnc1C=Cc2ccccc2 271570a_100102527694_200010125657 [0,1,1,0,0,0|2,0,0]=4 818 B16R2.71 Fc1nccnc1C=Cc2cccnc2 271570a_100102525586_200010125657 [0,1,1,0,0,0|1,0,0]=3 819 B16R2.71 Ic1ccncc1OCc2cccnc2 34a_100000050107_100000733263 [0,1,1,0,0,0|1,0,1]=4 820 B16R2.71 Ic1ncccc1OCc2cccnc2 34a_100000034122_100000733263 [0,1,1,0,0,0|1,0,1]=4 821 B16R2.71 Ic1ncccc1OCc2cccnc2 7a_100000034122_100000741622 [0,1,1,0,0,0|1,0,1]=4 822 B16R2.71 Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210017 [0,1,1,0,0,0|2,0,0]=4 823 B16R2.71 Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210017 [0,1,1,0,0,0|1,0,0]=3 824 B16R2.71 Nc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000688686 [0,1,1,0,0,0|2,0,0]=4 825 B16R2.71 Nc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000047001 [0,1,1,0,0,0|1,0,0]=3 826 B16R2.71 Nc1ccncc1C=Cc2cccnc2 271570a_100102525586_100000047001 [0,1,1,0,0,0|0,0,0]=2 827 B16R2.71 Nc1ccncc1OCc2cccnc2 34a_100000753702_100000733263 [0,1,1,0,0,0|1,0,1]=4 828 B16R2.71 Nc1ccncc1SCc2cccnc2 62a_100000047001_100000741622 [0,1,1,0,0,0|1,0,1]=4 829 B16R2.71 Nc1ccncc1SCc2cccnc2 62a_100000741622_100000047001 [0,1,1,0,0,0|1,0,1]=4 830 B16R2.71 Nc1cnccc1C=Cc2cccnc2 271570a_100102525586_100009815883 [0,1,1,0,0,0|2,0,0]=4 831 B16R2.71 Nc1cnncc1C=Cc2ccccc2 271570a_100102527694_100009829405 [0,1,1,0,0,0|2,0,0]=4 832 B16R2.71 Nc1cnncc1C=Cc2cccnc2 271570a_100102525586_100009829405 [0,1,1,0,0,0|1,0,0]=3 833 B16R2.71 Nc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000045569 [0,1,1,0,0,0|1,0,0]=3 834 B16R2.71 Nc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000045569 [0,1,1,0,0,0|0,0,0]=2 835 B16R2.71 Nc1ncccc1OCc2cccnc2 34a_100000211975_100000733263 [0,1,1,0,0,0|1,0,1]=4 836 B16R2.71 Nc1ncccc1OCc2cccnc2 7a_100000211975_100000741622 [0,1,1,0,0,0|1,0,1]=4 837 B16R2.71 Nc1ncccc1SCc2cccnc2 62a_100000045569_100000741622 [0,1,1,0,0,0|1,0,1]=4 838 B16R2.71 Nc1ncccc1SCc2cccnc2 62a_100000741622_100000045569 [0,1,1,0,0,0|1,0,1]=4 839 B16R2.71 Nc1nccnc1C=Cc2ccccc2 271570a_100102527694_100000747729 [0,1,1,0,0,0|2,0,0]=4 840 B16R2.71 Nc1nccnc1C=Cc2cccnc2 271570a_100102525586_100000747729 [0,1,1,0,0,0|1,0,0]=3 841 B16R2.71 Nc1ncncc1C=Cc2ccccc2 271570a_100102527694_100011996079 [0,1,1,0,0,0|2,0,0]=4 842 B16R2.71 Nc1ncncc1C=Cc2cccnc2 271570a_100102525586_100011996079 [0,1,1,0,0,0|1,0,0]=3 843 B16R2.71 O=c1[nH]cccc1C=Cc2ccccc2 271570a_100102527694_100000050042 [0,1,1,0,0,0|1,0,1]=4 844 B16R2.71 O=c1[nH]cccc1C=Cc2cccnc2 271570a_100102525586_100000050042 [0,1,1,0,0,0|0,0,1]=3 845 B16R2.71 O=c1[nH]ccnc1C=Cc2cccnc2 271570a_100102525586_100000763361 [0,1,1,0,0,0|1,0,1]=4 846 B16R2.71 O=c1[nH]nccc1C=Cc2cccnc2 271570a_100102525586_100000087129 [0,1,1,0,0,0|1,0,1]=4 847 B16R2.71 O=c1cc[nH]cc1C=Cc2ccccc2 271570a_100102527694_100009998708 [0,1,1,0,0,0|1,0,1]=4 848 B16R2.71 O=c1cc[nH]cc1C=Cc2cccnc2 271570a_100102525586_100009998708 [0,1,1,0,0,0|0,0,1]=3 849 B16R2.71 Oc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000739446 [0,1,1,0,0,0|2,0,0]=4 850 B16R2.71 Oc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000739446 [0,1,1,0,0,0|1,0,0]=3 851 B16R2.71 Oc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000034122 [0,1,1,0,0,0|2,0,0]=4 852 B16R2.71 Oc1cnccc1C=Cc2cccnc2 271570a_100102525586_100009817591 [0,1,1,0,0,0|2,0,0]=4 853 B16R2.71 Oc1ncccc1SCc2cccnc2 62a_100000741622_100000760158 [0,1,1,0,0,0|1,0,1]=4 854 B16R2.71 Oc1ncccc1SCc2cccnc2 62a_100000760158_100000741622 [0,1,1,0,0,0|1,0,1]=4 855 B16R2.71 Oc1ncncc1C=Cc2ccccc2 271570a_100102527694_100000751107 [0,1,1,0,0,0|2,0,0]=4 856 B16R2.71 Oc1ncncc1C=Cc2cccnc2 271570a_100102525586_100000751107 [0,1,1,0,0,0|1,0,0]=3 857 B16R2.71 S=c1cc[nH]cc1C=Cc2ccccc2 271570a_100102527694_200012280681 [0,1,1,0,0,0|1,0,1]=4 858 B16R2.71 S=c1cc[nH]cc1C=Cc2cccnc2 271570a_100102525586_200012280681 [0,1,1,0,0,0|0,0,1]=3 859 B16R2.71 [O-][n+]1ccccc1C=Cc2cccnc2 271570a_100102525586_200000042595 [0,1,1,0,0,0|2,0,0]=4 860 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 1458a_100000185807_100000733263 [0,1,1,0,0,0|1,0,1]=4 861 B16R2.132 Brc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000752885 [0,1,1,0,0,0|2,0,0]=4 862 B16R2.132 Brc1ccc(cc1)C=Cc2ccccc2 271570a_100102527914_100000210277 [0,1,1,0,0,0|2,0,0]=4 863 B16R2.132 Brc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000752885 [0,1,1,0,0,0|1,0,0]=3 864 B16R2.132 Brc1ccc(cc1)C=Cc2cccnc2 271570a_100102527914_100000752921 [0,1,1,0,0,0|1,0,0]=3 865 B16R2.132 Brc1ccc(cc1)C=Cc2cccnn2 271570a_100102527914_100016991348 [0,1,1,0,0,0|2,0,0]=4 866 B16R2.132 Brc1ccc(cc1)C=Cc2ccnnc2 271570a_100102527914_100000732662 [0,1,1,0,0,0|2,0,0]=4 867 B16R2.132 Brc1ccc(cc1)C=Cc2cnccn2 271570a_100102527914_100000758340 [0,1,1,0,0,0|2,0,0]=4 868 B16R2.132 Brc1ccc(cc1)C=Cc2cncnc2 271570a_100102527914_100011206942 [0,1,1,0,0,0|2,0,0]=4 869 B16R2.132 Brc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100009814638 [0,1,1,0,0,0|1,0,0]=3 870 B16R2.132 Brc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100009814638 [0,1,1,0,0,0|0,0,0]=2 871 B16R2.132 Brc1ccc(cn1)COc2cccnc2 34a_100000210849_100009831999 [0,1,1,0,0,0|1,0,1]=4 872 B16R2.132 Brc1ccc(cn1)COc2cccnc2 7a_100000210849_100009831999 [0,1,1,0,0,0|1,0,1]=4 873 B16R2.132 Brc1ccc(cn1)CSc2cccnc2 62a_100000210063_100009831999 [0,1,1,0,0,0|1,0,1]=4 874 B16R2.132 Brc1ccc(cn1)CSc2cccnc2 62a_100009831999_100000210063 [0,1,1,0,0,0|1,0,1]=4 875 B16R2.132 Brc1ccc(cn1)OCc2cccnc2 34a_100000685995_100000733263 [0,1,1,0,0,0|1,0,1]=4 876 B16R2.132 Brc1ccc(cn1)OCc2cccnc2 7a_100000685995_100000741622 [0,1,1,0,0,0|1,0,1]=4 877 B16R2.132 Brc1ccc(cn1)SCc2cccnc2 62a_100000741622_100009814638 [0,1,1,0,0,0|1,0,1]=4 878 B16R2.132 Brc1ccc(cn1)SCc2cccnc2 62a_100009814638_100000741622 [0,1,1,0,0,0|1,0,1]=4 879 B16R2.132 Brc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000686858 [0,1,1,0,0,0|2,0,0]=4 880 B16R2.132 Brc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_200012349914 [0,1,1,0,0,0|2,0,0]=4 881 B16R2.132 Brc1ncc(cn1)C=Cc2cccnc2 271570a_100102525586_200012349914 [0,1,1,0,0,0|1,0,0]=3 882 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000186775 [0,1,1,0,0,0|2,0,0]=4 883 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527916_100000210277 [0,1,1,0,0,0|2,0,0]=4 884 B16R2.132 Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000186775 [0,1,1,0,0,0|1,0,0]=3 885 B16R2.132 Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102527916_100000752921 [0,1,1,0,0,0|1,0,0]=3 886 B16R2.132 Cc1ccc(cc1)C=Cc2cccnn2 271570a_100102527916_100016991348 [0,1,1,0,0,0|2,0,0]=4 887 B16R2.132 Cc1ccc(cc1)C=Cc2ccnnc2 271570a_100102527916_100000732662 [0,1,1,0,0,0|2,0,0]=4 888 B16R2.132 Cc1ccc(cc1)C=Cc2cnccn2 271570a_100102527916_100000758340 [0,1,1,0,0,0|2,0,0]=4 889 B16R2.132 Cc1ccc(cc1)C=Cc2cncnc2 271570a_100102527916_100011206942 [0,1,1,0,0,0|2,0,0]=4 890 B16R2.132 Cc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000751577 [0,1,1,0,0,0|1,0,0]=3 891 B16R2.132 Cc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000751577 [0,1,1,0,0,0|0,0,0]=2 892 B16R2.132 Cc1ccc(cn1)COc2cccnc2 34a_100000210849_100016987292 [0,1,1,0,0,0|1,0,1]=4 893 B16R2.132 Cc1ccc(cn1)COc2cccnc2 7a_100000210849_100016987292 [0,1,1,0,0,0|1,0,1]=4 894 B16R2.132 Cc1ccc(cn1)CSc2cccnc2 62a_100000210063_100016987292 [0,1,1,0,0,0|1,0,1]=4 895 B16R2.132 Cc1ccc(cn1)CSc2cccnc2 62a_100016987292_100000210063 [0,1,1,0,0,0|1,0,1]=4 896 B16R2.132 Cc1ccc(cn1)OCc2cccnc2 34a_100000745506_100000733263 [0,1,1,0,0,0|1,0,1]=4 897 B16R2.132 Cc1ccc(cn1)OCc2cccnc2 7a_100000745506_100000741622 [0,1,1,0,0,0|1,0,1]=4 898 B16R2.132 Cc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000751577 [0,1,1,0,0,0|1,0,1]=4 899 B16R2.132 Cc1ccc(cn1)SCc2cccnc2 62a_100000751577_100000741622 [0,1,1,0,0,0|1,0,1]=4 900 B16R2.132 Cc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000754016 [0,1,1,0,0,0|2,0,0]=4 901 B16R2.132 Cc1ccc(nn1)C=Cc2ccccc2 271570a_100102527694_100011450037 [0,1,1,0,0,0|2,0,0]=4 902 B16R2.132 Cc1ccc(nn1)C=Cc2cccnc2 271570a_100102525586_100011450037 [0,1,1,0,0,0|1,0,0]=3 903 B16R2.132 Cc1cnc(cn1)C=Cc2ccccc2 271570a_100102527694_100011999403 [0,1,1,0,0,0|2,0,0]=4 904 B16R2.132 Cc1cnc(cn1)C=Cc2cccnc2 271570a_100102525586_100011999403 [0,1,1,0,0,0|1,0,0]=3 905 B16R2.132 Cc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_100000686985 [0,1,1,0,0,0|2,0,0]=4 906 B16R2.132 Cc1ncc(cn1)C=Cc2cccnc2 271570a_100102525586_100000686985 [0,1,1,0,0,0|1,0,0]=3 907 B16R2.132 Clc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000755918 [0,1,1,0,0,0|2,0,0]=4 908 B16R2.132 Clc1ccc(cc1)C=Cc2ccccc2 271570a_100102527930_100000210277 [0,1,1,0,0,0|2,0,0]=4 909 B16R2.132 Clc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000755918 [0,1,1,0,0,0|1,0,0]=3 910 B16R2.132 Clc1ccc(cc1)C=Cc2cccnc2 271570a_100102527930_100000752921 [0,1,1,0,0,0|1,0,0]=3 911 B16R2.132 Clc1ccc(cc1)C=Cc2cccnn2 271570a_100102527930_100016991348 [0,1,1,0,0,0|2,0,0]=4 912 B16R2.132 Clc1ccc(cc1)C=Cc2ccnnc2 271570a_100102527930_100000732662 [0,1,1,0,0,0|2,0,0]=4 913 B16R2.132 Clc1ccc(cc1)C=Cc2cnccn2 271570a_100102527930_100000758340 [0,1,1,0,0,0|2,0,0]=4 914 B16R2.132 Clc1ccc(cc1)C=Cc2cncnc2 271570a_100102527930_100011206942 [0,1,1,0,0,0|2,0,0]=4 915 B16R2.132 Clc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000034144 [0,1,1,0,0,0|1,0,0]=3 916 B16R2.132 Clc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000034144 [0,1,1,0,0,0|0,0,0]=2 917 B16R2.132 Clc1ccc(cn1)COc2cccnc2 34a_100000210849_100000735431 [0,1,1,0,0,0|1,0,1]=4 918 B16R2.132 Clc1ccc(cn1)COc2cccnc2 7a_100000210849_100000735431 [0,1,1,0,0,0|1,0,1]=4 919 B16R2.132 Clc1ccc(cn1)CSc2cccnc2 62a_100000210063_100000735431 [0,1,1,0,0,0|1,0,1]=4 920 B16R2.132 Clc1ccc(cn1)CSc2cccnc2 62a_100000735431_100000210063 [0,1,1,0,0,0|1,0,1]=4 921 B16R2.132 Clc1ccc(cn1)OCc2cccnc2 34a_100000744096_100000733263 [0,1,1,0,0,0|1,0,1]=4 922 B16R2.132 Clc1ccc(cn1)OCc2cccnc2 7a_100000744096_100000741622 [0,1,1,0,0,0|1,0,1]=4 923 B16R2.132 Clc1ccc(cn1)SCc2cccnc2 62a_100000034144_100000741622 [0,1,1,0,0,0|1,0,1]=4 924 B16R2.132 Clc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000034144 [0,1,1,0,0,0|1,0,1]=4 925 B16R2.132 Clc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100011356976 [0,1,1,0,0,0|2,0,0]=4 926 B16R2.132 Fc1ccc(cc1)C=Cc2ccccc2 271570a_100102525539_100000210277 [0,1,1,0,0,0|2,0,0]=4 927 B16R2.132 Fc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000211213 [0,1,1,0,0,0|2,0,0]=4 928 B16R2.132 Fc1ccc(cc1)C=Cc2cccnc2 271570a_100102525539_100000752921 [0,1,1,0,0,0|1,0,0]=3 929 B16R2.132 Fc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000211213 [0,1,1,0,0,0|1,0,0]=3 930 B16R2.132 Fc1ccc(cc1)C=Cc2cccnn2 271570a_100102525539_100016991348 [0,1,1,0,0,0|2,0,0]=4 931 B16R2.132 Fc1ccc(cc1)C=Cc2ccnnc2 271570a_100102525539_100000732662 [0,1,1,0,0,0|2,0,0]=4 932 B16R2.132 Fc1ccc(cc1)C=Cc2cnccn2 271570a_100102525539_100000758340 [0,1,1,0,0,0|2,0,0]=4 933 B16R2.132 Fc1ccc(cc1)C=Cc2cncnc2 271570a_100102525539_100011206942 [0,1,1,0,0,0|2,0,0]=4 934 B16R2.132 Fc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000748661 [0,1,1,0,0,0|1,0,0]=3 935 B16R2.132 Fc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000748661 [0,1,1,0,0,0|0,0,0]=2 936 B16R2.132 Fc1ccc(cn1)COc2cccnc2 34a_100000210849_100000099788 [0,1,1,0,0,0|1,0,1]=4 937 B16R2.132 Fc1ccc(cn1)COc2cccnc2 7a_100000210849_100009820150 [0,1,1,0,0,0|1,0,1]=4 938 B16R2.132 Fc1ccc(cn1)CSc2cccnc2 62a_100000210063_100000099788 [0,1,1,0,0,0|1,0,1]=4 939 B16R2.132 Fc1ccc(cn1)CSc2cccnc2 62a_100009820150_100000210063 [0,1,1,0,0,0|1,0,1]=4 940 B16R2.132 Fc1ccc(cn1)OCc2cccnc2 34a_100000688820_100000733263 [0,1,1,0,0,0|1,0,1]=4 941 B16R2.132 Fc1ccc(cn1)OCc2cccnc2 7a_100000688820_100000741622 [0,1,1,0,0,0|1,0,1]=4 942 B16R2.132 Fc1ccc(cn1)SCc2cccnc2 62a_100000042367_100000741622 [0,1,1,0,0,0|1,0,1]=4 943 B16R2.132 Fc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000042367 [0,1,1,0,0,0|1,0,1]=4 944 B16R2.132 Fc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000744514 [0,1,1,0,0,0|2,0,0]=4 945 B16R2.132 Fc1cnc(cn1)C=Cc2ccccc2 271570a_100102527694_100009856528 [0,1,1,0,0,0|2,0,0]=4 946 B16R2.132 Fc1cnc(cn1)C=Cc2cccnc2 271570a_100102525586_100009856528 [0,1,1,0,0,0|1,0,0]=3 947 B16R2.132 Fc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_100000685262 [0,1,1,0,0,0|2,0,0]=4 948 B16R2.132 Fc1ncc(cn1)C=Cc2cccnc2 271570a_100102525586_100000685262 [0,1,1,0,0,0|1,0,0]=3 949 B16R2.132 Ic1ccc(cn1)OCc2cccnc2 34a_100000687607_100000733263 [0,1,1,0,0,0|1,0,1]=4 950 B16R2.132 Ic1ccc(cn1)OCc2cccnc2 7a_100000687607_100000741622 [0,1,1,0,0,0|1,0,1]=4 951 B16R2.132 Nc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000185761 [0,1,1,0,0,0|2,0,0]=4 952 B16R2.132 Nc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000185761 [0,1,1,0,0,0|1,0,0]=3 953 B16R2.132 Nc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000187370 [0,1,1,0,0,0|1,0,0]=3 954 B16R2.132 Nc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000187370 [0,1,1,0,0,0|0,0,0]=2 955 B16R2.132 Nc1ccc(cn1)OCc2cccnc2 34a_100015188713_100000733263 [0,1,1,0,0,0|1,0,1]=4 956 B16R2.132 Nc1ccc(cn1)OCc2cccnc2 7a_100015188713_100000741622 [0,1,1,0,0,0|1,0,1]=4 957 B16R2.132 Nc1ccc(cn1)SCc2cccnc2 62a_100000187370_100000741622 [0,1,1,0,0,0|1,0,1]=4 958 B16R2.132 Nc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000187370 [0,1,1,0,0,0|1,0,1]=4 959 B16R2.132 Nc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000744251 [0,1,1,0,0,0|2,0,0]=4 960 B16R2.132 Nc1ccc(nn1)C=Cc2ccccc2 271570a_100102527694_100009816609 [0,1,1,0,0,0|2,0,0]=4 961 B16R2.132 Nc1ccc(nn1)C=Cc2cccnc2 271570a_100102525586_100009816609 [0,1,1,0,0,0|1,0,0]=3 962 B16R2.132 Nc1cnc(cn1)C=Cc2ccccc2 271570a_100102527694_100000761932 [0,1,1,0,0,0|2,0,0]=4 963 B16R2.132 Nc1cnc(cn1)C=Cc2cccnc2 271570a_100102525586_100000761932 [0,1,1,0,0,0|1,0,0]=3 964 B16R2.132 Nc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_100000760574 [0,1,1,0,0,0|2,0,0]=4 965 B16R2.132 Nc1ncc(cn1)C=Cc2cccnc2 271570a_100102525586_100000760574 [0,1,1,0,0,0|1,0,0]=3 966 B16R2.132 Nc1ncc(nn1)C=Cc2cccnc2 271570a_100102525586_100000691435 [0,1,1,0,0,0|2,0,0]=4 967 B16R2.132 O=c1ccc(c[nH]1)C=Cc2ccccc2 271570a_100102527694_100000212171 [0,1,1,0,0,0|1,0,1]=4 968 B16R2.132 O=c1ccc(c[nH]1)C=Cc2cccnc2 271570a_100102525586_100000212171 [0,1,1,0,0,0|0,0,1]=3 969 B16R2.132 O=c1ccc(n[nH]1)C=Cc2cccnc2 271570a_100102525586_100009820020 [0,1,1,0,0,0|1,0,1]=4 970 B16R2.132 O=c1ncc(c[nH]1)C=Cc2ccccc2 271570a_100102527694_102495366499 [0,1,1,0,0,0|2,0,0]=4 971 B16R2.132 O=c1ncc(c[nH]1)C=Cc2cccnc2 271570a_100102525586_102495366499 [0,1,1,0,0,0|1,0,0]=3 972 B16R2.132 Oc1ccc(cc1)/C=C/c2ccccc2 271570a_203496583355_100016990502 [0,1,1,0,0,0|2,0,0]=4 973 B16R2.132 Oc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000185759 [0,1,1,0,0,0|2,0,0]=4 974 B16R2.132 Oc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000185759 [0,1,1,0,0,0|1,0,0]=3 975 B16R2.132 Oc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000685995 [0,1,1,0,0,0|2,0,0]=4 976 B16R2.132 [O-][n+]1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000039755 [0,1,1,0,0,0|2,0,0]=4 977 B16R2.252 Brc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100009814637 [0,1,1,0,0,0|2,0,0]=4 978 B16R2.252 Brc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000691529 [0,1,1,0,0,0|2,0,0]=4 979 B16R2.252 Brc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000691529 [0,1,1,0,0,0|1,0,0]=3 980 B16R2.252 Brc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100000684672 [0,1,1,0,0,0|2,0,0]=4 981 B16R2.252 Brc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000728054 [0,1,1,0,0,0|1,0,0]=3 982 B16R2.252 Brc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000728054 [0,1,1,0,0,0|0,0,0]=2 983 B16R2.252 Brc1cncc(c1)COc2cccnc2 34a_100000210849_100000738771 [0,1,1,0,0,0|1,0,1]=4 984 B16R2.252 Brc1cncc(c1)COc2cccnc2 7a_100000210849_100000738771 [0,1,1,0,0,0|1,0,1]=4 985 B16R2.252 Brc1cncc(c1)CSc2cccnc2 62a_100000210063_100000738771 [0,1,1,0,0,0|1,0,1]=4 986 B16R2.252 Brc1cncc(c1)CSc2cccnc2 62a_100000738771_100000210063 [0,1,1,0,0,0|1,0,1]=4 987 B16R2.252 Brc1cncc(c1)OCc2cccnc2 34a_100000754920_100000733263 [0,1,1,0,0,0|1,0,1]=4 988 B16R2.252 Brc1cncc(c1)OCc2cccnc2 7a_100000754920_100000741622 [0,1,1,0,0,0|1,0,1]=4 989 B16R2.252 Brc1cncc(c1)SCc2cccnc2 62a_100000728054_100000741622 [0,1,1,0,0,0|1,0,1]=4 990 B16R2.252 Brc1cncc(c1)SCc2cccnc2 62a_100000741622_100000728054 [0,1,1,0,0,0|1,0,1]=4 991 B16R2.252 C[n+]1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100009996589 [0,1,1,0,0,0|1,0,1]=4 992 B16R2.252 C[n+]1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100009996589 [0,1,1,0,0,0|0,0,1]=3 993 B16R2.252 Cc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100000758586 [0,1,1,0,0,0|2,0,0]=4 994 B16R2.252 Cc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100011215228 [0,1,1,0,0,0|2,0,0]=4 995 B16R2.252 Cc1cccc(c1)C=Cc2ccccc2 271570a_200135466880_100000210277 [0,1,1,0,0,0|2,0,0]=4 996 B16R2.252 Cc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100011215228 [0,1,1,0,0,0|1,0,0]=3 997 B16R2.252 Cc1cccc(c1)C=Cc2cccnc2 271570a_200135466880_100000752921 [0,1,1,0,0,0|1,0,0]=3 998 B16R2.252 Cc1cccc(c1)C=Cc2cccnn2 271570a_200135466880_100016991348 [0,1,1,0,0,0|2,0,0]=4 999 B16R2.252 Cc1cccc(c1)C=Cc2ccnnc2 271570a_200135466880_100000732662 [0,1,1,0,0,0|2,0,0]=4 1000 B16R2.252 Cc1cccc(c1)C=Cc2cnccn2 271570a_200135466880_100000758340 [0,1,1,0,0,0|2,0,0]=4 1001 B16R2.252 Cc1cccc(c1)C=Cc2cncnc2 271570a_200135466880_100011206942 [0,1,1,0,0,0|2,0,0]=4 1002 B16R2.252 Cc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100000742759 [0,1,1,0,0,0|2,0,0]=4 1003 B16R2.252 Cc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100000750283 [0,1,1,0,0,0|2,0,0]=4 1004 B16R2.252 Cc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000760492 [0,1,1,0,0,0|1,0,0]=3 1005 B16R2.252 Cc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000760492 [0,1,1,0,0,0|0,0,0]=2 1006 B16R2.252 Cc1cncc(c1)COc2cccnc2 34a_100000210849_100000716715 [0,1,1,0,0,0|1,0,1]=4 1007 B16R2.252 Cc1cncc(c1)COc2cccnc2 7a_100000210849_100000716715 [0,1,1,0,0,0|1,0,1]=4 1008 B16R2.252 Cc1cncc(c1)CSc2cccnc2 62a_100000210063_100000716715 [0,1,1,0,0,0|1,0,1]=4 1009 B16R2.252 Cc1cncc(c1)CSc2cccnc2 62a_100000716715_100000210063 [0,1,1,0,0,0|1,0,1]=4 1010 B16R2.252 Cc1cncc(c1)OCc2cccnc2 34a_100011830280_100000733263 [0,1,1,0,0,0|1,0,1]=4 1011 B16R2.252 Cc1cncc(c1)OCc2cccnc2 7a_100011830280_100000741622 [0,1,1,0,0,0|1,0,1]=4 1012 B16R2.252 Cc1cncc(c1)SCc2cccnc2 62a_100000741622_100000760492 [0,1,1,0,0,0|1,0,1]=4 1013 B16R2.252 Cc1cncc(c1)SCc2cccnc2 62a_100000760492_100000741622 [0,1,1,0,0,0|1,0,1]=4 1014 B16R2.252 Cc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_100009842155 [0,1,1,0,0,0|2,0,0]=4 1015 B16R2.252 Cc1cncc(n1)C=Cc2cccnc2 271570a_100102525586_100009842155 [0,1,1,0,0,0|1,0,0]=3 1016 B16R2.252 Cc1cnnc(c1)C=Cc2ccccc2 271570a_100102527694_100000070100 [0,1,1,0,0,0|2,0,0]=4 1017 B16R2.252 Cc1cnnc(c1)C=Cc2cccnc2 271570a_100102525586_100000070100 [0,1,1,0,0,0|1,0,0]=3 1018 B16R2.252 Clc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100000035001 [0,1,1,0,0,0|2,0,0]=4 1019 B16R2.252 Clc1cccc(c1)C=Cc2ccccc2 271570a_100102525933_100000210277 [0,1,1,0,0,0|2,0,0]=4 1020 B16R2.252 Clc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000699651 [0,1,1,0,0,0|2,0,0]=4 1021 B16R2.252 Clc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000699651 [0,1,1,0,0,0|1,0,0]=3 1022 B16R2.252 Clc1cccc(c1)C=Cc2cccnc2 271570a_100102525933_100000752921 [0,1,1,0,0,0|1,0,0]=3 1023 B16R2.252 Clc1cccc(c1)C=Cc2cccnn2 271570a_100102525933_100016991348 [0,1,1,0,0,0|2,0,0]=4 1024 B16R2.252 Clc1cccc(c1)C=Cc2ccnnc2 271570a_100102525933_100000732662 [0,1,1,0,0,0|2,0,0]=4 1025 B16R2.252 Clc1cccc(c1)C=Cc2cnccn2 271570a_100102525933_100000758340 [0,1,1,0,0,0|2,0,0]=4 1026 B16R2.252 Clc1cccc(c1)C=Cc2cncnc2 271570a_100102525933_100011206942 [0,1,1,0,0,0|2,0,0]=4 1027 B16R2.252 Clc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100010167805 [0,1,1,0,0,0|2,0,0]=4 1028 B16R2.252 Clc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000049639 [0,1,1,0,0,0|1,0,0]=3 1029 B16R2.252 Clc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000049639 [0,1,1,0,0,0|0,0,0]=2 1030 B16R2.252 Clc1cncc(c1)COc2cccnc2 34a_100000210849_100016992070 [0,1,1,0,0,0|1,0,1]=4 1031 B16R2.252 Clc1cncc(c1)COc2cccnc2 7a_100000210849_100016992070 [0,1,1,0,0,0|1,0,1]=4 1032 B16R2.252 Clc1cncc(c1)CSc2cccnc2 62a_100000210063_100016992070 [0,1,1,0,0,0|1,0,1]=4 1033 B16R2.252 Clc1cncc(c1)CSc2cccnc2 62a_100016992070_100000210063 [0,1,1,0,0,0|1,0,1]=4 1034 B16R2.252 Clc1cncc(c1)OCc2cccnc2 7a_100000032511_100000741622 [0,1,1,0,0,0|1,0,1]=4 1035 B16R2.252 Clc1cncc(c1)SCc2cccnc2 62a_100000049639_100000741622 [0,1,1,0,0,0|1,0,1]=4 1036 B16R2.252 Clc1cncc(c1)SCc2cccnc2 62a_100000741622_100000049639 [0,1,1,0,0,0|1,0,1]=4 1037 B16R2.252 Fc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100009816116 [0,1,1,0,0,0|2,0,0]=4 1038 B16R2.252 Fc1cccc(c1)C=Cc2ccccc2 271570a_100102525537_100000210277 [0,1,1,0,0,0|2,0,0]=4 1039 B16R2.252 Fc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000685547 [0,1,1,0,0,0|2,0,0]=4 1040 B16R2.252 Fc1cccc(c1)C=Cc2cccnc2 271570a_100102525537_100000752921 [0,1,1,0,0,0|1,0,0]=3 1041 B16R2.252 Fc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000685547 [0,1,1,0,0,0|1,0,0]=3 1042 B16R2.252 Fc1cccc(c1)C=Cc2cccnn2 271570a_100102525537_100016991348 [0,1,1,0,0,0|2,0,0]=4 1043 B16R2.252 Fc1cccc(c1)C=Cc2ccnnc2 271570a_100102525537_100000732662 [0,1,1,0,0,0|2,0,0]=4 1044 B16R2.252 Fc1cccc(c1)C=Cc2cnccn2 271570a_100102525537_100000758340 [0,1,1,0,0,0|2,0,0]=4 1045 B16R2.252 Fc1cccc(c1)C=Cc2cncnc2 271570a_100102525537_100011206942 [0,1,1,0,0,0|2,0,0]=4 1046 B16R2.252 Fc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100009815982 [0,1,1,0,0,0|2,0,0]=4 1047 B16R2.252 Fc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100009817058 [0,1,1,0,0,0|2,0,0]=4 1048 B16R2.252 Fc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000744099 [0,1,1,0,0,0|1,0,0]=3 1049 B16R2.252 Fc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000744099 [0,1,1,0,0,0|0,0,0]=2 1050 B16R2.252 Fc1cncc(c1)COc2cccnc2 34a_100000210849_100000725299 [0,1,1,0,0,0|1,0,1]=4 1051 B16R2.252 Fc1cncc(c1)COc2cccnc2 7a_100000210849_100000725299 [0,1,1,0,0,0|1,0,1]=4 1052 B16R2.252 Fc1cncc(c1)CSc2cccnc2 62a_100000210063_100000725299 [0,1,1,0,0,0|1,0,1]=4 1053 B16R2.252 Fc1cncc(c1)CSc2cccnc2 62a_100000725299_100000210063 [0,1,1,0,0,0|1,0,1]=4 1054 B16R2.252 Fc1cncc(c1)OCc2cccnc2 34a_100011830296_100000733263 [0,1,1,0,0,0|1,0,1]=4 1055 B16R2.252 Fc1cncc(c1)OCc2cccnc2 7a_100011830296_100000741622 [0,1,1,0,0,0|1,0,1]=4 1056 B16R2.252 Fc1cncc(c1)SCc2cccnc2 62a_100000741622_100000744099 [0,1,1,0,0,0|1,0,1]=4 1057 B16R2.252 Fc1cncc(c1)SCc2cccnc2 62a_100000744099_100000741622 [0,1,1,0,0,0|1,0,1]=4 1058 B16R2.252 Fc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_200009863489 [0,1,1,0,0,0|2,0,0]=4 1059 B16R2.252 Fc1cncc(n1)C=Cc2cccnc2 271570a_100102525586_200009863489 [0,1,1,0,0,0|1,0,0]=3 1060 B16R2.252 Nc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100000744379 [0,1,1,0,0,0|2,0,0]=4 1061 B16R2.252 Nc1cc(cnn1)C=Cc2ccccc2 271570a_100102527694_100000130277 [0,1,1,0,0,0|2,0,0]=4 1062 B16R2.252 Nc1cc(cnn1)C=Cc2cccnc2 271570a_100102525586_100000130277 [0,1,1,0,0,0|1,0,0]=3 1063 B16R2.252 Nc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000210019 [0,1,1,0,0,0|2,0,0]=4 1064 B16R2.252 Nc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000210019 [0,1,1,0,0,0|1,0,0]=3 1065 B16R2.252 Nc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100000740741 [0,1,1,0,0,0|2,0,0]=4 1066 B16R2.252 Nc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100009814236 [0,1,1,0,0,0|2,0,0]=4 1067 B16R2.252 Nc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000687067 [0,1,1,0,0,0|1,0,0]=3 1068 B16R2.252 Nc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000687067 [0,1,1,0,0,0|0,0,0]=2 1069 B16R2.252 Nc1cncc(c1)OCc2cccnc2 34a_100011997051_100000733263 [0,1,1,0,0,0|1,0,1]=4 1070 B16R2.252 Nc1cncc(c1)SCc2cccnc2 62a_100000687067_100000741622 [0,1,1,0,0,0|1,0,1]=4 1071 B16R2.252 Nc1cncc(c1)SCc2cccnc2 62a_100000741622_100000687067 [0,1,1,0,0,0|1,0,1]=4 1072 B16R2.252 Nc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_100009819714 [0,1,1,0,0,0|2,0,0]=4 1073 B16R2.252 Nc1cncc(n1)C=Cc2cccnc2 271570a_100102525586_100009819714 [0,1,1,0,0,0|1,0,0]=3 1074 B16R2.252 O=c1cc(cc[nH]1)C=Cc2cccnc2 271570a_100102525586_100009816521 [0,1,1,0,0,0|2,0,0]=4 1075 B16R2.252 O=c1cc(cn[nH]1)C=Cc2ccccc2 271570a_100102527694_100010197405 [0,1,1,0,0,0|2,0,0]=4 1076 B16R2.252 O=c1cc(cn[nH]1)C=Cc2cccnc2 271570a_100102525586_100010197405 [0,1,1,0,0,0|1,0,0]=3 1077 B16R2.252 O=c1cccc([nH]1)C=Cc2cccnc2 271570a_100102525586_100000761760 [0,1,1,0,0,0|2,0,0]=4 1078 B16R2.252 Oc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000211634 [0,1,1,0,0,0|2,0,0]=4 1079 B16R2.252 Oc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000211634 [0,1,1,0,0,0|1,0,0]=3 1080 B16R2.252 Oc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100000762945 [0,1,1,0,0,0|2,0,0]=4 1081 B16R2.252 Oc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000754920 [0,1,1,0,0,0|1,0,0]=3 1082 B16R2.252 Oc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000754920 [0,1,1,0,0,0|0,0,0]=2 1083 B16R2.252 Oc1cncc(c1)SCc2cccnc2 62a_100000741622_100000754920 [0,1,1,0,0,0|1,0,1]=4 1084 B16R2.252 Oc1cncc(c1)SCc2cccnc2 62a_100000754920_100000741622 [0,1,1,0,0,0|1,0,1]=4 1085 B16R2.252 Oc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_100011269956 [0,1,1,0,0,0|2,0,0]=4 1086 B16R2.252 Oc1cncc(n1)C=Cc2cccnc2 271570a_100102525586_100011269956 [0,1,1,0,0,0|1,0,0]=3 1087 B16R2.252 Oc1cnnc(c1)C=Cc2ccccc2 271570a_100102527694_200010734679 [0,1,1,0,0,0|2,0,0]=4 1088 B16R2.252 Oc1cnnc(c1)C=Cc2cccnc2 271570a_100102525586_200010734679 [0,1,1,0,0,0|1,0,0]=3 1089 B16R2.252 [O-][n+]1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100009815978 [0,1,1,0,0,0|1,0,1]=4 1090 B16R2.252 [O-][n+]1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100009815978 [0,1,1,0,0,0|0,0,1]=3 1091 B16R2.252 [O-][n+]1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100009880115 [0,1,1,0,0,0|1,0,1]=4 1092 B16R2.252 [S]c1cccc(c1)C=Cc2ccccc2 271570a_100102527694_114929384022 [0,1,1,0,0,0|2,0,0]=4 1093 B16R2.252 [S]c1cccc(c1)C=Cc2cccnc2 271570a_100102525586_114929384022 [0,1,1,0,0,0|1,0,0]=3 1094 B16R2.21692 C=C=Cc1cc(c2cccnc2c1O)Cl 271570a_100015277604_100000211503 [0,1,1,0,0,0|1,0,1]=4 1095 B16R2.21692 CC=Cc1cc(c2cccnc2c1O)Cl 271570a_100016259895_100000211503 [0,1,1,0,0,0|1,0,1]=4 1096 B16R2.83538 CC(=Cc1ccc2cccnc2c1C)C 271570a_100102525489_100010214467 [0,1,1,0,0,0|1,0,1]=4 1097 B16R2.83538 CC(=Cc1ccc2cccnc2c1F)C 271570a_100102525489_100010751467 [0,1,1,0,0,0|1,0,1]=4 1098 B16R2.83538 CC(=Cc1ccc2cccnc2c1O)C 271570a_100102525489_100009816563 [0,1,1,0,0,0|1,0,1]=4 1099 B16R2.30013 C=CCNc1c(ccc2c1nccc2)C 34a_100000065890_100015514636 [0,1,1,0,0,0|0,0,2]=4 1100 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100015514636 [0,1,1,0,0,0|2,0,0]=4 1101 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100015514636 [0,1,1,0,0,0|2,0,0]=4 1102 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100015514636 [0,1,1,0,0,0|2,0,0]=4 1103 B16R2.30013 C=CCSc1c(ccc2c1nccc2)O 62a_100000210623_100010173343 [0,1,1,0,0,0|2,0,0]=4 1104 B16R2.958 C=CCNc1cccc2c1ncc(c2)Br 34a_100000702407_100015514636 [0,1,1,0,0,0|0,0,2]=4 1105 B16R2.958 C=CCOc1cccc2c1ncc(c2)C 34a_100000144662_100015514636 [0,1,1,0,0,0|1,0,1]=4 1106 B16R2.958 C=CCOc1cccc2c1ncc(c2)C 7a_100000144662_100015514636 [0,1,1,0,0,0|1,0,1]=4 1107 B16R2.958 C=CCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100015514636 [0,1,1,0,0,0|1,0,1]=4 1108 B16R2.958 C=CCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100015514636 [0,1,1,0,0,0|1,0,1]=4 1109 B16R2.963 C=CCNc1cccc2c1nccc2C 27a_100020586998_100010254272 [0,1,1,0,0,0|0,0,2]=4 1110 B16R2.963 C=CCNc1cccc2c1nccc2C 34a_100011934384_100015514636 [0,1,1,0,0,0|0,0,2]=4 1111 B16R2.963 C=CCNc1cccc2c1nccc2Cl 34a_100009892510_100015514636 [0,1,1,0,0,0|0,0,2]=4 1112 B16R2.963 C=CCOc1cccc2c1nccc2Br 34a_100000703299_100015514636 [0,1,1,0,0,0|1,0,1]=4 1113 B16R2.963 C=CCOc1cccc2c1nccc2Br 7a_100000703299_100015514636 [0,1,1,0,0,0|1,0,1]=4 1114 B16R2.963 C=CCOc1cccc2c1nccc2C 7a_100000702989_100015514636 [0,1,1,0,0,0|1,0,1]=4 1115 B16R2.963 C=CCSc1cccc2c1nccc2C 62a_100000210623_100010254272 [0,1,1,0,0,0|1,0,1]=4 1116 B16R2.963 C=CCSc1cccc2c1nccc2N 62a_100000210623_100011620713 [0,1,1,0,0,0|1,0,1]=4 1117 B16R2.963 C=CCSc1cccc2c1nccc2N 62a_100011620713_100000210623 [0,1,1,0,0,0|1,0,1]=4 1118 B16R2.12192 C=CCNc1ccc(c2c1nccc2)Br 34a_100000726955_100015514636 [0,1,1,0,0,0|0,0,2]=4 1119 B16R2.12192 C=CCNc1ccc(c2c1nccc2)Cl 34a_100000736140_100015514636 [0,1,1,0,0,0|0,0,2]=4 1120 B16R2.12192 C=CCNc1ccc(c2c1nccc2)F 27a_100020586998_100010214461 [0,1,1,0,0,0|0,0,2]=4 1121 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Br 34a_100011934063_100015514636 [0,1,1,0,0,0|1,0,1]=4 1122 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Br 7a_100011934063_100015514636 [0,1,1,0,0,0|1,0,1]=4 1123 B16R2.12192 C=CCOc1ccc(c2c1nccc2)C 34a_100000058672_100015514636 [0,1,1,0,0,0|1,0,1]=4 1124 B16R2.12192 C=CCOc1ccc(c2c1nccc2)C 7a_100000058672_100015514636 [0,1,1,0,0,0|1,0,1]=4 1125 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Cl 34a_100000212186_100015514636 [0,1,1,0,0,0|1,0,1]=4 1126 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Cl 7a_100000212186_100015514636 [0,1,1,0,0,0|1,0,1]=4 1127 B16R2.12192 C=CCOc1ccc(c2c1nccc2)F 34a_100000034212_100015514636 [0,1,1,0,0,0|1,0,1]=4 1128 B16R2.12192 C=CCOc1ccc(c2c1nccc2)F 7a_100000034212_100015514636 [0,1,1,0,0,0|1,0,1]=4 1129 B16R2.12192 C=CCOc1ccc(c2c1nccc2)N 34a_100000188197_100015514636 [0,1,1,0,0,0|1,0,1]=4 1130 B16R2.12192 C=CCSc1ccc(c2c1nccc2)F 62a_100000210623_100010214461 [0,1,1,0,0,0|1,0,1]=4 1131 B16R2.12192 C=CCSc1ccc(c2c1nccc2)F 62a_100010214461_100000210623 [0,1,1,0,0,0|1,0,1]=4 1132 B16R2.12192 C=CCSc1ccc(c2c1nccc2)N 62a_100000210623_100012360041 [0,1,1,0,0,0|1,0,1]=4 1133 B16R2.12192 C=CCSc1ccc(c2c1nccc2)N 62a_100012360041_100000210623 [0,1,1,0,0,0|1,0,1]=4 1134 B16R2.12202 C=CCNc1cc(cc2c1nccc2)Br 27a_100020586998_100010090713 [0,1,1,0,0,0|0,0,2]=4 1135 B16R2.12202 C=CCNc1cc(cc2c1nccc2)Br 34a_100009814519_100015514636 [0,1,1,0,0,0|0,0,2]=4 1136 B16R2.12202 C=CCNc1cc(cc2c1nccc2)Cl 34a_100000026717_100015514636 [0,1,1,0,0,0|0,0,2]=4 1137 B16R2.12202 C=CCNc1cc(cc2c1nccc2)F 27a_100020586998_100010214460 [0,1,1,0,0,0|0,0,2]=4 1138 B16R2.12202 C=CCNc1cc(cc2c1nccc2)F 34a_100000088212_100015514636 [0,1,1,0,0,0|0,0,2]=4 1139 B16R2.12202 C=CCNc1cc(cc2c1nccc2)O 34a_100000083691_100015514636 [0,1,1,0,0,0|0,0,2]=4 1140 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Br 34a_100010248853_100015514636 [0,1,1,0,0,0|1,0,1]=4 1141 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Br 7a_100010248853_100015514636 [0,1,1,0,0,0|1,0,1]=4 1142 B16R2.12202 C=CCOc1cc(cc2c1nccc2)C 34a_100009888445_100015514636 [0,1,1,0,0,0|1,0,1]=4 1143 B16R2.12202 C=CCOc1cc(cc2c1nccc2)C 7a_100009888445_100015514636 [0,1,1,0,0,0|1,0,1]=4 1144 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Cl 34a_200000089624_100015514636 [0,1,1,0,0,0|1,0,1]=4 1145 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Cl 7a_200000089624_100015514636 [0,1,1,0,0,0|1,0,1]=4 1146 B16R2.12202 C=CCSc1cc(cc2c1nccc2)Br 62a_100000210623_100010090713 [0,1,1,0,0,0|1,0,1]=4 1147 B16R2.12202 C=CCSc1cc(cc2c1nccc2)Br 62a_100010090713_100000210623 [0,1,1,0,0,0|1,0,1]=4 1148 B16R2.12202 C=CCSc1cc(cc2c1nccc2)C 62a_100000210623_100010113427 [0,1,1,0,0,0|1,0,1]=4 1149 B16R2.12202 C=CCSc1cc(cc2c1nccc2)F 62a_100000210623_100010214460 [0,1,1,0,0,0|1,0,1]=4 1150 B16R2.12202 C=CCSc1cc(cc2c1nccc2)F 62a_100010214460_100000210623 [0,1,1,0,0,0|1,0,1]=4 1151 B16R2.32142 C=CCNc1cccc2c1nc(cc2)C 34a_100000019871_100015514636 [0,1,1,0,0,0|0,0,2]=4 1152 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Br 34a_100010153751_100015514636 [0,1,1,0,0,0|1,0,1]=4 1153 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Br 7a_100010153751_100015514636 [0,1,1,0,0,0|1,0,1]=4 1154 B16R2.32142 C=CCOc1cccc2c1nc(cc2)C 34a_100000184714_100015514636 [0,1,1,0,0,0|1,0,1]=4 1155 B16R2.32142 C=CCOc1cccc2c1nc(cc2)C 7a_100000184714_100015514636 [0,1,1,0,0,0|1,0,1]=4 1156 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Cl 34a_100000013812_100015514636 [0,1,1,0,0,0|1,0,1]=4 1157 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Cl 7a_100000013812_100015514636 [0,1,1,0,0,0|1,0,1]=4 1158 B16R2.32142 C=CCOc1cccc2c1nc(cc2)N 34a_100000032106_100015514636 [0,1,1,0,0,0|1,0,1]=4 1159 B16R2.32142 C=CCOc1cccc2c1nc(cc2)N 7a_100000032106_100015514636 [0,1,1,0,0,0|1,0,1]=4 1160 B16R2.32142 C=CCSc1cccc2c1nc(cc2)C 62a_100000210623_100011934484 [0,1,1,0,0,0|1,0,1]=4 1161 B16R2.32142 C=CCSc1cccc2c1nc(cc2)Cl 62a_100000210623_100012034269 [0,1,1,0,0,0|1,0,1]=4 1162 B16R2.32142 C=CCSc1cccc2c1nc(cc2)N 62a_100000687151_100000210623 [0,1,1,0,0,0|1,0,1]=4 1163 B16R2.50359 C/C=C/CNc1cccc2c1nccc2 34a_100000181377_100102629194 [0,1,1,0,0,0|0,0,2]=4 1164 B16R2.50359 C/C=C/COc1cccc2c1nccc2 34a_100000056035_100102629194 [0,1,1,0,0,0|1,0,1]=4 1165 B16R2.50359 C/C=C/CSc1cccc2c1nccc2 62a_100102629194_100011215545 [0,1,1,0,0,0|1,0,1]=4 1166 B16R2.50359 C=CCCNc1cccc2c1nccc2 34a_100000181377_100000754431 [0,1,1,0,0,0|0,0,2]=4 1167 B16R2.50359 C=CCCOc1cccc2c1nccc2 34a_100000056035_100000754431 [0,1,1,0,0,0|1,0,1]=4 1168 B16R2.50359 C=CCCSc1cccc2c1nccc2 62a_100000754431_100011215545 [0,1,1,0,0,0|1,0,1]=4 1169 B16R2.50359 C=CCNCc1cccc2c1nccc2 2230a_100020586998_100000241032 [0,1,1,0,0,0|0,0,2]=4 1170 B16R2.50359 C=CCNCc1cccc2c1nccc2 270004a_100020586998_100000239888 [0,1,1,0,0,0|0,0,2]=4 1171 B16R2.50359 C=CCOCc1cccc2c1nccc2 34a_100011303629_100015514636 [0,1,1,0,0,0|1,0,1]=4 1172 B16R2.50359 C=CCOCc1cccc2c1nccc2 34a_200000210373_100000241032 [0,1,1,0,0,0|1,0,1]=4 1173 B16R2.50359 C=CCSCc1cccc2c1nccc2 62a_100000210623_100000241032 [0,1,1,0,0,0|1,0,1]=4 1174 B16R2.50359 CC=CCNc1cccc2c1nccc2 34a_100000181377_100000070051 [0,1,1,0,0,0|0,0,2]=4 1175 B16R2.50359 CC=CCOc1cccc2c1nccc2 34a_100000056035_100000070051 [0,1,1,0,0,0|1,0,1]=4 1176 B16R2.50359 CC=CCSc1cccc2c1nccc2 62a_100000070051_100011215545 [0,1,1,0,0,0|1,0,1]=4 1177 B16R2.50359 CCC=NNc1cccc2c1nccc2 4a_100015200115_100000210100 [0,1,1,0,0,0|0,0,2]=4 1178 B16R2.160202 C=CCC(=O)c1cccc2c1nccc2 1458a_100000195423_100000210623 [0,1,1,0,0,0|1,0,1]=4 1179 B16R2.170412 C=CC(=O)Cc1cccc2c1cccc2 1458a_100000185746_100000188474 [0,1,1,0,0,0|2,0,0]=4 1180 B16R2.170412 C=CC(=O)Cc1cccc2c1nccc2 1458a_100000185746_100000241032 [0,1,1,0,0,0|1,0,0]=3 1181 B16R2.170412 C=CC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000185746 [0,1,1,0,0,0|1,0,1]=4 1182 B16R2.170412 C=CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000185746 [0,1,1,0,0,0|1,0,1]=4 1183 B16R2.170412 C=CC(=O)Nc1cccc2c1nccc2 1626a_100000181377_100000185746 [0,1,1,0,0,0|0,0,1]=3 1184 B16R2.170412 C=CC(=O)Nc1cccc2c1nccc2 22a_100000181377_100000185746 [0,1,1,0,0,0|0,0,1]=3 1185 B16R2.170412 C=CC(=O)Nc1cccc2c1nccn2 1626a_100011996443_100000185746 [0,1,1,0,0,0|1,0,1]=4 1186 B16R2.170412 C=CC(=O)Nc1cccc2c1nccn2 22a_100011996443_100000185746 [0,1,1,0,0,0|1,0,1]=4 1187 B16R2.170412 C=CC(C)Sc1cccc2c1nccc2 62a_100011215867_100011215545 [0,1,1,0,0,0|1,0,1]=4 1188 B16R2.179941 C=C(C)CNc1cccc2c1nccc2 34a_100000181377_100000748629 [0,1,1,0,0,0|0,0,2]=4 1189 B16R2.179941 C=C(C)COc1cccc2c1nccc2 34a_100000056035_100000748629 [0,1,1,0,0,0|1,0,1]=4 1190 B16R2.179941 C=C(C)CSc1cccc2c1nccc2 62a_100000748629_100011215545 [0,1,1,0,0,0|1,0,1]=4 1191 B16R2.179941 C=C(F)CNc1cccc2c1nccc2 34a_100000181377_100009893438 [0,1,1,0,0,0|0,0,2]=4 1192 B16R2.179941 C=C(F)COc1cccc2c1nccc2 34a_100000056035_100009893438 [0,1,1,0,0,0|1,0,1]=4 1193 B16R2.179941 C=C(F)CSc1cccc2c1nccc2 62a_100000042424_100011215545 [0,1,1,0,0,0|1,0,1]=4 1194 B16R2.179941 CC(=O)C=Cc1cccc2c1nccc2 1458a_100000735392_200000210301 [0,1,1,0,0,0|1,0,1]=4 1195 B16R2.179941 [13CH3]C(=O)C=Cc1cccc2c1nccc2 1458a_100000735392_200025704644 [0,1,1,0,0,0|1,0,1]=4 1196 B18R3.28 C=Cc1ccc2c(c1)ccc3c2cccc3 271570a_100011290941_100010174298 [0,2,0,0,0,0|2,0,0]=4 1197 B18R3.28 C=Cc1cnc2c(c1)ccc3c2nccc3 271570a_100011290941_100010188720 [0,2,0,0,0,0|0,0,0]=2 1198 B18R3.28 CNc1ccc2c(c1)ccc3c2cccc3 34a_200009881857_200000210301 [0,2,0,0,0,0|2,0,0]=4 1199 B18R3.28 CNc1ccc2c(c1)ccc3c2cccc3 7a_200009881857_200000210301 [0,2,0,0,0,0|2,0,0]=4 1200 B18R3.28 CNc1cnc2c(c1)ccc3c2nccc3 27a_100102657272_100010188720 [0,2,0,0,0,0|0,0,0]=2 1201 B18R3.28 CSc1ccc2c(c1)ccc3c2cccc3 62a_200000210301_100010174298 [0,2,0,0,0,0|2,0,0]=4 1202 B18R3.28 CSc1cnc2c(c1)ccc3c2nccc3 62a_200000210301_100010188720 [0,2,0,0,0,0|0,0,0]=2 1203 B18R3.28 [13CH3]Nc1ccc2c(c1)ccc3c2cccc3 34a_200009881857_200025704644 [0,2,0,0,0,0|2,0,0]=4 1204 B18R3.28 [13CH3]Nc1ccc2c(c1)ccc3c2cccc3 7a_200009881857_200025704644 [0,2,0,0,0,0|2,0,0]=4 1205 B18R3.28 [13CH3]Sc1ccc2c(c1)ccc3c2cccc3 62a_200025704644_100010174298 [0,2,0,0,0,0|2,0,0]=4 1206 B18R3.28 [13CH3]Sc1cnc2c(c1)ccc3c2nccc3 62a_200025704644_100010188720 [0,2,0,0,0,0|0,0,0]=2 1207 B18R3.9713 C=Cc1ccnc2c1ccc3c2nccc3 271570a_100011290941_100010235877 [0,2,0,0,0,0|0,0,0]=2 1208 B18R3.9713 CNc1ccnc2c1ccc3c2nccc3 27a_100102657272_100010235877 [0,2,0,0,0,0|0,0,0]=2 1209 B18R3.9713 CSc1ccnc2c1ccc3c2nccc3 62a_200000210301_100011068552 [0,2,0,0,0,0|0,0,0]=2 1210 B18R3.9713 [13CH3]Sc1ccnc2c1ccc3c2nccc3 62a_200025704644_100011068552 [0,2,0,0,0,0|0,0,0]=2 1211 B18R3.17013 C=Cc1ccc2ccc3ccccc3c2c1 271570a_100011290941_100010175977 [0,2,0,0,0,0|2,0,0]=4 1212 B18R3.17013 C=Cc1ccc2ccc3cccnc3c2n1 271570a_100011290941_100000037118 [0,2,0,0,0,0|0,0,0]=2 1213 B18R3.17013 CNc1ccc2ccc3ccccc3c2c1 34a_100009845421_200000210301 [0,2,0,0,0,0|2,0,0]=4 1214 B18R3.17013 CNc1ccc2ccc3ccccc3c2c1 7a_100009845421_200000210301 [0,2,0,0,0,0|2,0,0]=4 1215 B18R3.17013 CNc1ccc2ccc3cccnc3c2n1 27a_100102657272_100000037118 [0,2,0,0,0,0|0,0,0]=2 1216 B18R3.17013 CSc1ccc2ccc3ccccc3c2c1 62a_200000210301_100010175977 [0,2,0,0,0,0|2,0,0]=4 1217 B18R3.17013 CSc1ccc2ccc3cccnc3c2n1 62a_200000210301_100000037118 [0,2,0,0,0,0|0,0,0]=2 1218 B18R3.17013 [13CH3]Nc1ccc2ccc3ccccc3c2c1 34a_100009845421_200025704644 [0,2,0,0,0,0|2,0,0]=4 1219 B18R3.17013 [13CH3]Nc1ccc2ccc3ccccc3c2c1 7a_100009845421_200025704644 [0,2,0,0,0,0|2,0,0]=4 1220 B18R3.17013 [13CH3]Sc1ccc2ccc3ccccc3c2c1 62a_200025704644_100010175977 [0,2,0,0,0,0|2,0,0]=4 1221 B18R3.17013 [13CH3]Sc1ccc2ccc3cccnc3c2n1 62a_200025704644_100000037118 [0,2,0,0,0,0|0,0,0]=2 1222 B18R3.151612 COc1cccc2c1c3c(cc2)cccc3 34a_200000075460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1223 B18R3.151612 COc1cccc2c1c3c(cc2)cccc3 7a_200000075460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1224 B18R3.151612 COc1cccc2c1c3c(cc2)cccn3 34a_100000047260_200000210301 [0,2,0,0,0,0|1,0,0]=3 1225 B18R3.151612 COc1cccc2c1c3c(cc2)cccn3 7a_100000047260_200000210301 [0,2,0,0,0,0|1,0,0]=3 1226 B18R3.151612 [13CH3]Oc1cccc2c1c3c(cc2)cccc3 34a_200000075460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1227 B18R3.151612 [13CH3]Oc1cccc2c1c3c(cc2)cccc3 7a_200000075460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1228 B18R3.151612 [13CH3]Oc1cccc2c1c3c(cc2)cccn3 34a_100000047260_200025704644 [0,2,0,0,0,0|1,0,0]=3 1229 B18R3.151612 [13CH3]Oc1cccc2c1c3c(cc2)cccn3 7a_100000047260_200025704644 [0,2,0,0,0,0|1,0,0]=3 1230 B18R3.159486 C=Cc1cc2ccccc2c3c1cccc3 271570a_100011290941_100009813645 [0,2,0,0,0,0|2,0,0]=4 1231 B18R3.159486 C=Cc1cc2cccnc2c3c1cccc3 271570a_100011290941_100050056114 [0,2,0,0,0,0|1,0,0]=3 1232 B18R3.159486 C=Cc1cc2cccnc2c3c1cccn3 271570a_100011290941_100009991584 [0,2,0,0,0,0|0,0,0]=2 1233 B18R3.159486 CNc1cc2ccccc2c3c1cccc3 34a_100000029970_200000210301 [0,2,0,0,0,0|2,0,0]=4 1234 B18R3.159486 CNc1cc2cccnc2c3c1cccn3 27a_100102657272_100009991584 [0,2,0,0,0,0|0,0,0]=2 1235 B18R3.159486 COc1cc2ccccc2c3c1cccc3 34a_100000036577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1236 B18R3.159486 COc1cc2ccccc2c3c1cccc3 7a_100000036577_200000210301 [0,2,0,0,0,0|2,0,0]=4 1237 B18R3.159486 CSc1cc2ccccc2c3c1cccc3 62a_200000210301_100009813645 [0,2,0,0,0,0|2,0,0]=4 1238 B18R3.159486 CSc1cc2cccnc2c3c1cccc3 62a_200000210301_100050056114 [0,2,0,0,0,0|1,0,0]=3 1239 B18R3.159486 CSc1cc2cccnc2c3c1cccn3 62a_200000210301_100009991584 [0,2,0,0,0,0|0,0,0]=2 1240 B18R3.159486 [13CH3]Nc1cc2ccccc2c3c1cccc3 34a_100000029970_200025704644 [0,2,0,0,0,0|2,0,0]=4 1241 B18R3.159486 [13CH3]Oc1cc2ccccc2c3c1cccc3 34a_100000036577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1242 B18R3.159486 [13CH3]Oc1cc2ccccc2c3c1cccc3 7a_100000036577_200025704644 [0,2,0,0,0,0|2,0,0]=4 1243 B18R3.159486 [13CH3]Sc1cc2ccccc2c3c1cccc3 62a_200025704644_100009813645 [0,2,0,0,0,0|2,0,0]=4 1244 B18R3.159486 [13CH3]Sc1cc2cccnc2c3c1cccc3 62a_200025704644_100050056114 [0,2,0,0,0,0|1,0,0]=3 1245 B18R3.159486 [13CH3]Sc1cc2cccnc2c3c1cccn3 62a_200025704644_100009991584 [0,2,0,0,0,0|0,0,0]=2 1246 B14R1.123 CC=CC=CC=NNc1ccccn1 4a_100000183288_100000691131 [0,0,2,0,0,0|1,0,1]=4 1247 B14R2.14 C=Cc1c[nH]nc1c2ccccc2 271570a_100011290941_100011471533 [0,0,1,0,1,0|2,0,0]=4 1248 B14R2.14 C=Cc1c[nH]nc1c2ccccn2 271570a_100011290941_100011471540 [0,0,1,0,1,0|1,0,0]=3 1249 B14R2.14 C=Cc1ccnn1c2ccccc2 271570a_100011290941_100011001034 [0,0,1,0,1,0|2,0,0]=4 1250 B14R2.14 O=Cc1ccoc1c2ccccn2 271570a_200000039635_100011216584 [0,0,1,0,1,0|2,0,0]=4 1251 B14R2.14 O=Cc1ccsc1c2ccccn2 271570a_100000034323_100011216584 [0,0,1,0,1,0|2,0,0]=4 1252 B14R2.14 O=Cc1ccsc1c2ccccn2 271570a_100011264011_100009816921 [0,0,1,0,1,0|2,0,0]=4 1253 B14R2.14 O=Cc1cscc1c2ccccn2 271570a_100000077414_100011216584 [0,0,1,0,1,0|2,0,0]=4 1254 B14R2.14 O=Cc1cscc1c2ccccn2 271570a_100011264011_100000685484 [0,0,1,0,1,0|2,0,0]=4 1255 B14R2.14 O=Cc1occc1c2ccccn2 271570a_100011264011_100000756499 [0,0,1,0,1,0|2,0,0]=4 1256 B14R2.14 O=Cc1sccc1c2ccccn2 271570a_100010083059_100011216584 [0,0,1,0,1,0|2,0,0]=4 1257 B14R2.14 O=Cc1sccc1c2ccccn2 271570a_100011264011_100000766043 [0,0,1,0,1,0|2,0,0]=4 1258 B14R2.98 C=Cc1ccccc1c2c[nH]cn2 271570a_100000037480_100000756875 [0,0,1,0,1,0|2,0,0]=4 1259 B14R2.98 C=Cc1ccccc1c2cc[nH]n2 271570a_100000037480_100000062575 [0,0,1,0,1,0|2,0,0]=4 1260 B14R2.98 C=Cc1ccccc1c2cc[nH]n2 271570a_100011290941_100011216357 [0,0,1,0,1,0|2,0,0]=4 1261 B14R2.98 C=Cc1ccccc1c2ccco2 271570a_100000037480_100009814098 [0,0,1,0,1,0|2,0,0]=4 1262 B14R2.98 C=Cc1ccccc1c2cccs2 271570a_100000037480_100011215356 [0,0,1,0,1,0|2,0,0]=4 1263 B14R2.98 C=Cc1ccccc1c2ccoc2 271570a_100000037480_100011215275 [0,0,1,0,1,0|2,0,0]=4 1264 B14R2.98 C=Cc1ccccc1c2ccsc2 271570a_100000037480_100000738268 [0,0,1,0,1,0|2,0,0]=4 1265 B14R2.98 C=Cc1ccccc1c2ccsn2 271570a_100000037480_100009818082 [0,0,1,0,1,0|2,0,0]=4 1266 B14R2.98 C=Cc1ccccc1c2cocn2 271570a_100011290941_100010198669 [0,0,1,0,1,0|2,0,0]=4 1267 B14R2.98 C=Cc1ccccc1c2cscn2 271570a_100000037480_100000751502 [0,0,1,0,1,0|2,0,0]=4 1268 B14R2.98 C=Cc1ccccc1c2ncc[nH]2 271570a_100000037480_100025796157 [0,0,1,0,1,0|2,0,0]=4 1269 B14R2.98 C=Cc1ccccc1c2ncc[nH]2 271570a_100011290941_100011532729 [0,0,1,0,1,0|2,0,0]=4 1270 B14R2.98 C=Cc1ccccc1c2ncco2 271570a_100000037480_100011787736 [0,0,1,0,1,0|2,0,0]=4 1271 B14R2.98 C=Cc1ccccc1c2ncco2 271570a_100011290941_100010188011 [0,0,1,0,1,0|2,0,0]=4 1272 B14R2.98 C=Cc1ccccc1c2nccs2 271570a_100000037480_100000211983 [0,0,1,0,1,0|2,0,0]=4 1273 B14R2.98 C=Cc1ccccc1c2nccs2 271570a_100011290941_103496549459 [0,0,1,0,1,0|2,0,0]=4 1274 B14R2.98 C=Cc1ccccc1n2cccc2 271570a_100011290941_200000178846 [0,0,1,0,1,0|2,0,0]=4 1275 B14R2.98 C=Cc1ccccc1n2cccn2 271570a_100011290941_100011313175 [0,0,1,0,1,0|2,0,0]=4 1276 B14R2.98 O=Cc1cccnc1c2cc[nH]c2 271570a_100000102155_100009816751 [0,0,1,0,1,0|2,0,0]=4 1277 B14R2.98 O=Cc1cccnc1c2cc[nH]n2 271570a_100000062414_100009816751 [0,0,1,0,1,0|2,0,0]=4 1278 B14R2.98 O=Cc1cccnc1c2ccco2 271570a_100000750936_100009816751 [0,0,1,0,1,0|2,0,0]=4 1279 B14R2.98 O=Cc1cccnc1c2cccs2 271570a_100000742291_100009816751 [0,0,1,0,1,0|2,0,0]=4 1280 B14R2.98 O=Cc1cccnc1c2ccoc2 271570a_100011218838_100009816751 [0,0,1,0,1,0|2,0,0]=4 1281 B14R2.98 O=Cc1cccnc1c2ccsc2 271570a_100011934443_100009816751 [0,0,1,0,1,0|2,0,0]=4 1282 B14R2.98 O=Cc1cccnc1c2ncc[nH]2 271570a_100016988920_100009816751 [0,0,1,0,1,0|2,0,0]=4 1283 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000210063_100000041952 [0,0,1,0,1,0|2,0,0]=4 1284 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000719477_100000210063 [0,0,1,0,1,0|2,0,0]=4 1285 B14R2.6 c1cncc(c1)Sc2cccnc2 62a_100000210063_100000210063 [0,0,1,0,1,0|1,0,0]=3 1286 B14R2.6 c1cncc(c1)Sc2cccnn2 62a_100000210063_100016991348 [0,0,1,0,1,0|2,0,0]=4 1287 B14R2.6 c1cncc(c1)Sc2cccnn2 62a_100016991348_100000210063 [0,0,1,0,1,0|2,0,0]=4 1288 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000210063_100000732662 [0,0,1,0,1,0|2,0,0]=4 1289 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000732662_100000210063 [0,0,1,0,1,0|2,0,0]=4 1290 B14R2.6 c1cncc(c1)Sc2cnccn2 62a_100000210063_100000211759 [0,0,1,0,1,0|2,0,0]=4 1291 B14R2.6 c1cncc(c1)Sc2cnccn2 62a_100000211759_100000210063 [0,0,1,0,1,0|2,0,0]=4 1292 B14R2.6 c1cncc(c1)Sc2cncnc2 62a_100000210063_100011206942 [0,0,1,0,1,0|2,0,0]=4 1293 B14R2.6 c1cncc(c1)Sc2cncnc2 62a_100011206942_100000210063 [0,0,1,0,1,0|2,0,0]=4 1294 B14R2.101 C(=Cc1c[nH]cn1)c2ccccc2 271570a_100102527694_100000756875 [0,0,1,0,1,0|2,0,0]=4 1295 B14R2.101 C(=Cc1c[nH]cn1)c2cccnc2 271570a_100102525586_100000756875 [0,0,1,0,1,0|1,0,0]=3 1296 B14R2.101 C(=Cc1cc[nH]n1)c2ccccc2 271570a_100102527694_100000062575 [0,0,1,0,1,0|2,0,0]=4 1297 B14R2.101 C(=Cc1cc[nH]n1)c2cccnc2 271570a_100102525586_100000062575 [0,0,1,0,1,0|1,0,0]=3 1298 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,1,0,1,0|2,0,0]=4 1299 B14R2.101 C(=Cc1ccco1)c2cccnc2 271570a_100102525586_100009814098 [0,0,1,0,1,0|1,0,0]=3 1300 B14R2.101 C(=Cc1cccs1)c2ccccc2 271570a_100102527694_100011215356 [0,0,1,0,1,0|2,0,0]=4 1301 B14R2.101 C(=Cc1cccs1)c2cccnc2 271570a_100102525586_100011215356 [0,0,1,0,1,0|1,0,0]=3 1302 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [0,0,1,0,1,0|2,0,0]=4 1303 B14R2.101 C(=Cc1ccoc1)c2cccnc2 271570a_100102525586_100011215275 [0,0,1,0,1,0|1,0,0]=3 1304 B14R2.101 C(=Cc1ccsc1)c2ccccc2 271570a_100102527694_100000738268 [0,0,1,0,1,0|2,0,0]=4 1305 B14R2.101 C(=Cc1ccsc1)c2cccnc2 271570a_100102525586_100000738268 [0,0,1,0,1,0|1,0,0]=3 1306 B14R2.101 C(=Cc1ccsn1)c2ccccc2 271570a_100102527694_100009818082 [0,0,1,0,1,0|2,0,0]=4 1307 B14R2.101 C(=Cc1ccsn1)c2cccnc2 271570a_100102525586_100009818082 [0,0,1,0,1,0|1,0,0]=3 1308 B14R2.101 C(=Cc1cn[nH]c1)c2ccccc2 271570a_100102527694_100000238712 [0,0,1,0,1,0|2,0,0]=4 1309 B14R2.101 C(=Cc1cn[nH]c1)c2cccnc2 271570a_100102525586_100000238712 [0,0,1,0,1,0|1,0,0]=3 1310 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,0,1,0,1,0|2,0,0]=4 1311 B14R2.101 C(=Cc1cnco1)c2cccnc2 271570a_100102525586_100020591547 [0,0,1,0,1,0|1,0,0]=3 1312 B14R2.101 C(=Cc1cncs1)c2ccccc2 271570a_100102527694_100011934649 [0,0,1,0,1,0|2,0,0]=4 1313 B14R2.101 C(=Cc1cncs1)c2cccnc2 271570a_100102525586_100011934649 [0,0,1,0,1,0|1,0,0]=3 1314 B14R2.101 C(=Cc1cnoc1)c2ccccc2 271570a_100102527694_100009815712 [0,0,1,0,1,0|2,0,0]=4 1315 B14R2.101 C(=Cc1cnoc1)c2cccnc2 271570a_100102525586_100009815712 [0,0,1,0,1,0|1,0,0]=3 1316 B14R2.101 C(=Cc1cnsc1)c2ccccc2 271570a_100102527694_100009815736 [0,0,1,0,1,0|2,0,0]=4 1317 B14R2.101 C(=Cc1cnsc1)c2cccnc2 271570a_100102525586_100009815736 [0,0,1,0,1,0|1,0,0]=3 1318 B14R2.101 C(=Cc1cscn1)c2ccccc2 271570a_100102527694_100000751502 [0,0,1,0,1,0|2,0,0]=4 1319 B14R2.101 C(=Cc1cscn1)c2cccnc2 271570a_100102525586_100000751502 [0,0,1,0,1,0|1,0,0]=3 1320 B14R2.101 C(=Cc1nc[nH]n1)c2cccnc2 271570a_100102525586_100000761765 [0,0,1,0,1,0|2,0,0]=4 1321 B14R2.101 C(=Cc1ncc[nH]1)c2ccccc2 271570a_100102527694_100025796157 [0,0,1,0,1,0|2,0,0]=4 1322 B14R2.101 C(=Cc1ncc[nH]1)c2cccnc2 271570a_100102525586_100025796157 [0,0,1,0,1,0|1,0,0]=3 1323 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [0,0,1,0,1,0|2,0,0]=4 1324 B14R2.101 C(=Cc1ncco1)c2cccnc2 271570a_100102525586_100011787736 [0,0,1,0,1,0|1,0,0]=3 1325 B14R2.101 C(=Cc1nccs1)c2ccccc2 271570a_100102527694_100000211983 [0,0,1,0,1,0|2,0,0]=4 1326 B14R2.101 C(=Cc1nccs1)c2cccnc2 271570a_100102525586_100000211983 [0,0,1,0,1,0|1,0,0]=3 1327 B14R2.101 C(=Cc1ncns1)c2cccnc2 271570a_100102525586_100000693119 [0,0,1,0,1,0|2,0,0]=4 1328 B14R2.101 C(=Cc1nncs1)c2cccnc2 271570a_100102525586_100000739804 [0,0,1,0,1,0|2,0,0]=4 1329 B16R2.172 C=Cc1ccccc1Cc2ccccc2 271570a_100011290941_200011216382 [0,0,1,0,0,1|2,0,0]=4 1330 B16R2.172 C=Cc1ccccc1Oc2ccccc2 271570a_100011290941_100000049502 [0,0,1,0,0,1|2,0,0]=4 1331 B16R2.172 C=Cc1ccccc1Sc2ccccc2 62a_100000719477_100011218376 [0,0,1,0,0,1|2,0,0]=4 1332 B16R2.172 C=Cc1ccccc1Sc2ccccc2 62a_100011218376_100000041952 [0,0,1,0,0,1|2,0,0]=4 1333 B16R2.172 C=Cc1ccccc1Sc2ccccn2 62a_100011216584_100011218376 [0,0,1,0,0,1|1,0,0]=3 1334 B16R2.172 C=Cc1ccccc1Sc2ccccn2 62a_100011218376_100011216584 [0,0,1,0,0,1|1,0,0]=3 1335 B16R2.172 C=Cc1ccccc1Sc2cccnn2 62a_100011218376_100016991348 [0,0,1,0,0,1|2,0,0]=4 1336 B16R2.172 C=Cc1ccccc1Sc2cccnn2 62a_100016991348_100011218376 [0,0,1,0,0,1|2,0,0]=4 1337 B16R2.172 C=Cc1ccccc1Sc2ccncn2 62a_100000703185_100011218376 [0,0,1,0,0,1|2,0,0]=4 1338 B16R2.172 C=Cc1ccccc1Sc2ccncn2 62a_100011218376_100000703185 [0,0,1,0,0,1|2,0,0]=4 1339 B16R2.172 C=Cc1ccccc1Sc2cnccn2 62a_100000211759_100011218376 [0,0,1,0,0,1|2,0,0]=4 1340 B16R2.172 C=Cc1ccccc1Sc2cnccn2 62a_100011218376_100000211759 [0,0,1,0,0,1|2,0,0]=4 1341 B16R2.172 C=Cc1ccccc1Sc2ncccn2 62a_100000211032_100011218376 [0,0,1,0,0,1|2,0,0]=4 1342 B16R2.172 C=Cc1ccccc1Sc2ncccn2 62a_100011218376_100000211032 [0,0,1,0,0,1|2,0,0]=4 1343 B16R2.172 CNc1cccnc1Sc2ccccn2 62a_100011216584_200011806188 [0,0,1,0,0,1|1,0,1]=4 1344 B16R2.172 COc1cccnc1Sc2ccccn2 62a_100000767102_100011216584 [0,0,1,0,0,1|1,0,1]=4 1345 B16R2.172 COc1cccnc1Sc2ccccn2 62a_100011216584_100000690851 [0,0,1,0,0,1|1,0,1]=4 1346 B16R2.172 N#Cc1cccnc1Sc2ccccn2 62a_100011216584_100000211984 [0,0,1,0,0,1|1,0,1]=4 1347 B16R2.172 NCc1cccnc1Sc2ccccn2 62a_100011216584_100015189234 [0,0,1,0,0,1|1,0,1]=4 1348 B16R2.172 NCc1cccnc1Sc2ccccn2 62a_100015189234_100011216584 [0,0,1,0,0,1|1,0,1]=4 1349 B16R2.172 O=Cc1ccccc1Sc2ccccn2 62a_100000210073_100011216584 [0,0,1,0,0,1|2,0,0]=4 1350 B16R2.172 O=Cc1ccccc1Sc2ccccn2 62a_100011216584_100000210073 [0,0,1,0,0,1|2,0,0]=4 1351 B16R2.172 O=Cc1cccnc1Sc2ccccc2 62a_100000719477_100009816751 [0,0,1,0,0,1|2,0,0]=4 1352 B16R2.172 O=Cc1cccnc1Sc2ccccc2 62a_100009816751_100000041952 [0,0,1,0,0,1|2,0,0]=4 1353 B16R2.172 O=Cc1cccnc1Sc2ccccn2 62a_100009816751_100011216584 [0,0,1,0,0,1|1,0,0]=3 1354 B16R2.172 O=Cc1cccnc1Sc2ccccn2 62a_100011216584_100009816751 [0,0,1,0,0,1|1,0,0]=3 1355 B16R2.172 O=Cc1cccnc1Sc2cccnn2 62a_100009816751_100016991348 [0,0,1,0,0,1|2,0,0]=4 1356 B16R2.172 O=Cc1cccnc1Sc2cccnn2 62a_100016991348_100009816751 [0,0,1,0,0,1|2,0,0]=4 1357 B16R2.172 O=Cc1cccnc1Sc2ccncn2 62a_100000703185_100009816751 [0,0,1,0,0,1|2,0,0]=4 1358 B16R2.172 O=Cc1cccnc1Sc2ccncn2 62a_100009816751_100000703185 [0,0,1,0,0,1|2,0,0]=4 1359 B16R2.172 O=Cc1cccnc1Sc2cnccn2 62a_100000211759_100009816751 [0,0,1,0,0,1|2,0,0]=4 1360 B16R2.172 O=Cc1cccnc1Sc2cnccn2 62a_100009816751_100000211759 [0,0,1,0,0,1|2,0,0]=4 1361 B16R2.172 O=Cc1cccnc1Sc2ncccn2 62a_100000211032_100009816751 [0,0,1,0,0,1|2,0,0]=4 1362 B16R2.172 O=Cc1cccnc1Sc2ncccn2 62a_100009816751_100000211032 [0,0,1,0,0,1|2,0,0]=4 1363 B16R2.172 O=Cc1nccnc1Sc2ccccn2 62a_100000051000_100011216584 [0,0,1,0,0,1|2,0,0]=4 1364 B16R2.172 O=Cc1nccnc1Sc2ccccn2 62a_100011216584_100000051000 [0,0,1,0,0,1|2,0,0]=4 1365 B16R2.172 OCc1cccnc1Sc2ccccn2 62a_100000748726_100011216584 [0,0,1,0,0,1|1,0,1]=4 1366 B16R2.172 OCc1cccnc1Sc2ccccn2 62a_100011216584_100000748726 [0,0,1,0,0,1|1,0,1]=4 1367 B16R2.4062 Brc1cccnc1Sc2ncccc2Br 62a_100000696092_100000696092 [0,0,1,0,0,1|2,0,0]=4 1368 B16R2.4062 Cc1cccnc1Sc2ncccc2Br 62a_100000696092_100000751373 [0,0,1,0,0,1|1,0,1]=4 1369 B16R2.4062 Cc1cccnc1Sc2ncccc2Br 62a_100000751373_100000696092 [0,0,1,0,0,1|1,0,1]=4 1370 B16R2.4062 Cc1cccnc1Sc2ncccc2C 62a_100000751373_100000751373 [0,0,1,0,0,1|0,0,2]=4 1371 B16R2.4062 Cc1cccnc1Sc2ncccc2Cl 62a_100000751373_100011356963 [0,0,1,0,0,1|1,0,1]=4 1372 B16R2.4062 Cc1cccnc1Sc2ncccc2Cl 62a_100011356963_100000751373 [0,0,1,0,0,1|1,0,1]=4 1373 B16R2.4062 Cc1cccnc1Sc2ncccc2F 62a_100000685392_100000751373 [0,0,1,0,0,1|1,0,1]=4 1374 B16R2.4062 Cc1cccnc1Sc2ncccc2F 62a_100000751373_100000685392 [0,0,1,0,0,1|1,0,1]=4 1375 B16R2.4062 Cc1cccnc1Sc2ncccc2N 62a_100000688686_100000751373 [0,0,1,0,0,1|1,0,1]=4 1376 B16R2.4062 Cc1cccnc1Sc2ncccc2N 62a_100000751373_100000688686 [0,0,1,0,0,1|1,0,1]=4 1377 B16R2.4062 Cc1cccnc1Sc2ncccc2O 62a_100000034122_100000751373 [0,0,1,0,0,1|1,0,1]=4 1378 B16R2.4062 Cc1cccnc1Sc2ncccc2O 62a_100000751373_100000034122 [0,0,1,0,0,1|1,0,1]=4 1379 B16R2.4062 Clc1cccnc1Sc2ncccc2Br 62a_100000696092_100011356963 [0,0,1,0,0,1|2,0,0]=4 1380 B16R2.4062 Clc1cccnc1Sc2ncccc2Br 62a_100011356963_100000696092 [0,0,1,0,0,1|2,0,0]=4 1381 B16R2.4062 Clc1cccnc1Sc2ncccc2Cl 62a_100011356963_100011356963 [0,0,1,0,0,1|2,0,0]=4 1382 B16R2.4062 Fc1cccnc1Sc2ncccc2Br 62a_100000685392_100000696092 [0,0,1,0,0,1|2,0,0]=4 1383 B16R2.4062 Fc1cccnc1Sc2ncccc2Br 62a_100000696092_100000685392 [0,0,1,0,0,1|2,0,0]=4 1384 B16R2.4062 Fc1cccnc1Sc2ncccc2Cl 62a_100000685392_100011356963 [0,0,1,0,0,1|2,0,0]=4 1385 B16R2.4062 Fc1cccnc1Sc2ncccc2Cl 62a_100011356963_100000685392 [0,0,1,0,0,1|2,0,0]=4 1386 B16R2.4062 Fc1cccnc1Sc2ncccc2F 62a_100000685392_100000685392 [0,0,1,0,0,1|2,0,0]=4 1387 B16R2.4062 Nc1cccnc1Sc2ncccc2Br 62a_100000688686_100000696092 [0,0,1,0,0,1|2,0,0]=4 1388 B16R2.4062 Nc1cccnc1Sc2ncccc2Br 62a_100000696092_100000688686 [0,0,1,0,0,1|2,0,0]=4 1389 B16R2.4062 Nc1cccnc1Sc2ncccc2Cl 62a_100000688686_100011356963 [0,0,1,0,0,1|2,0,0]=4 1390 B16R2.4062 Nc1cccnc1Sc2ncccc2Cl 62a_100011356963_100000688686 [0,0,1,0,0,1|2,0,0]=4 1391 B16R2.4062 Nc1cccnc1Sc2ncccc2F 62a_100000685392_100000688686 [0,0,1,0,0,1|2,0,0]=4 1392 B16R2.4062 Nc1cccnc1Sc2ncccc2F 62a_100000688686_100000685392 [0,0,1,0,0,1|2,0,0]=4 1393 B16R2.4062 Nc1cccnc1Sc2ncccc2N 62a_100000688686_100000688686 [0,0,1,0,0,1|2,0,0]=4 1394 B16R2.4062 Nc1cccnc1Sc2ncccc2O 62a_100000034122_100000688686 [0,0,1,0,0,1|2,0,0]=4 1395 B16R2.4062 Nc1cccnc1Sc2ncccc2O 62a_100000688686_100000034122 [0,0,1,0,0,1|2,0,0]=4 1396 B16R2.4062 Oc1cccnc1Sc2ncccc2Br 62a_100000034122_100000696092 [0,0,1,0,0,1|2,0,0]=4 1397 B16R2.4062 Oc1cccnc1Sc2ncccc2Br 62a_100000696092_100000034122 [0,0,1,0,0,1|2,0,0]=4 1398 B16R2.4062 Oc1cccnc1Sc2ncccc2Cl 62a_100000034122_100011356963 [0,0,1,0,0,1|2,0,0]=4 1399 B16R2.4062 Oc1cccnc1Sc2ncccc2Cl 62a_100011356963_100000034122 [0,0,1,0,0,1|2,0,0]=4 1400 B16R2.4062 Oc1cccnc1Sc2ncccc2F 62a_100000034122_100000685392 [0,0,1,0,0,1|2,0,0]=4 1401 B16R2.4062 Oc1cccnc1Sc2ncccc2F 62a_100000685392_100000034122 [0,0,1,0,0,1|2,0,0]=4 1402 B16R2.4062 Oc1cccnc1Sc2ncccc2O 62a_100000034122_100000034122 [0,0,1,0,0,1|2,0,0]=4 1403 B16R2.2256 C(=Cc1ccccc1)Cc2ccccc2 271570a_200016263579_100000210277 [0,0,1,0,0,1|2,0,0]=4 1404 B16R2.2256 C(=Cc1cccnc1)Cc2ccccc2 271570a_200016263579_100000752921 [0,0,1,0,0,1|1,0,0]=3 1405 B16R2.2256 C(=Cc1cccnn1)Cc2ccccc2 271570a_200016263579_100016991348 [0,0,1,0,0,1|2,0,0]=4 1406 B16R2.2256 C(=Cc1ccnnc1)Cc2ccccc2 271570a_200016263579_100000732662 [0,0,1,0,0,1|2,0,0]=4 1407 B16R2.2256 C(=Cc1cnccn1)Cc2ccccc2 271570a_200016263579_100000758340 [0,0,1,0,0,1|2,0,0]=4 1408 B16R2.2256 C(=Cc1cncnc1)Cc2ccccc2 271570a_200016263579_100011206942 [0,0,1,0,0,1|2,0,0]=4 1409 B16R2.2256 C(=NNc1ccccc1)c2cccnc2 4a_100015195140_100000209961 [0,0,1,0,0,1|2,0,0]=4 1410 B16R2.2256 C(=NNc1cccnc1)c2ccccc2 4a_100000728903_100015611070 [0,0,1,0,0,1|2,0,0]=4 1411 B16R2.2256 C(=NNc1cccnc1)c2cccnc2 4a_100000728903_100000209961 [0,0,1,0,0,1|1,0,0]=3 1412 B16R2.2256 C(=NNc1cccnc1)c2ccnnc2 4a_100000728903_100011934578 [0,0,1,0,0,1|2,0,0]=4 1413 B16R2.2256 C(=NNc1cccnc1)c2cnccn2 4a_100000728903_100000749867 [0,0,1,0,0,1|2,0,0]=4 1414 B16R2.2256 C(=NNc1cccnc1)c2cncnc2 4a_100000728903_100000749868 [0,0,1,0,0,1|2,0,0]=4 1415 B16R2.2256 C(=NNc1cccnn1)c2cccnc2 4a_100000757824_100000209961 [0,0,1,0,0,1|2,0,0]=4 1416 B16R2.2256 C(=NNc1cnccn1)c2cccnc2 4a_100000736894_100000209961 [0,0,1,0,0,1|2,0,0]=4 1417 B16R2.2256 c1cncc(c1)CCOc2cccnc2 7a_100000210849_200011713674 [0,0,1,0,0,1|0,0,2]=4 1418 B16R2.2256 c1cncc(c1)CCSc2cccnc2 62a_100000210063_200011713674 [0,0,1,0,0,1|0,0,2]=4 1419 B16R2.2256 c1cncc(c1)CCSc2cccnc2 62a_200011713674_100000210063 [0,0,1,0,0,1|0,0,2]=4 1420 B16R2.2256 c1cncc(c1)CNCc2cccnc2 207a_100000210453_100000209961 [0,0,1,0,0,1|0,0,2]=4 1421 B16R2.2256 c1cncc(c1)CNCc2cccnc2 270004a_100000210453_100000209961 [0,0,1,0,0,1|0,0,2]=4 1422 B16R2.2256 c1cncc(c1)CSCc2cccnc2 62a_100000741622_100000741622 [0,0,1,0,0,1|0,0,2]=4