0 B10R1.21 CCCC=Cc1cccs1 AIFCHEM-94564040480 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.21 CCCC=Cc1ncco1 AIFCHEM-6486072646 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.21 CCCCNc1ccon1 AIFCHEM-94523033139 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.21 CCCCNc1ccsc1 AIFCHEM-94523038276 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.21 CCCCNc1nccs1 AIFCHEM-94524283831 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.21 CCCNCc1cscn1 AIFCHEM-94569011863 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.21 CCNCCc1cc[nH]n1 AIFCHEM-94537414967 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.21 CCNCCc1nccs1 AIFCHEM-94537417287 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.21 CCNCCn1cccc1 AIFCHEM-94537419871 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.21 CCOC=Cc1cccs1 AIFCHEM-6452818854 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.21 FCCNCc1cc[nH]n1 AIFCHEM-94524665033 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.21 FCCNCc1cccs1 AIFCHEM-5853698665 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.21 FCCNCc1cncs1 AIFCHEM-5801190619 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.21 N#CCNCc1ccco1 AIFCHEM-94540088190 [0,0,0,0,0,0|2,1,1]=4 17 B10R1.21 N#CCNCc1cncs1 AIFCHEM-94558701903 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.21 N#CCNCc1nccs1 AIFCHEM-94558702004 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.21 OCCNCc1cnco1 AIFCHEM-6481664221 [0,0,0,0,0,0|3,1,0]=4 20 B10R1.21 OCCNCc1cocn1 AIFCHEM-94577775647 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.21 OCCNCc1ncc[nH]1 AIFCHEM-94577775061 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.12 CCCNc1cncs1 AIFCHEM-94535760097 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.12 CCCNc1cscn1 AIFCHEM-94557114815 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [1,0,0,0,0,0|1,1,0]=3 25 B9R1.12 CCNCc1cocn1 AIFCHEM-94553456429 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.4 CCCCC=Cc1ccoc1 AIFCHEM-6202894001 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.4 CCCCC=Cc1ccon1 AIFCHEM-6444523912 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.4 CCCCCNc1ccon1 AIFCHEM-94551428350 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.4 CCCCNCc1cccs1 AIFCHEM-94523039677 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.4 CCCCNCc1ccoc1 AIFCHEM-5725341086 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.4 CCCCNCc1ncco1 AIFCHEM-94523028020 [0,1,0,0,0,0|1,1,0]=3 32 B11R1.4 CCCCNCc1nccs1 AIFCHEM-94523038846 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.4 CCCNCCc1cncs1 AIFCHEM-94569022413 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.4 CCNCCCn1cccc1 AIFCHEM-94537423465 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.4 CCNCCCn1ccnc1 AIFCHEM-94537422148 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.4 COCCNCc1cncs1 AIFCHEM-6015977455 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.4 CSCCNCc1cccs1 AIFCHEM-5830819053 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.4 CSCCNCc1ncco1 AIFCHEM-94598923569 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.4 N#CCCNCc1nccs1 AIFCHEM-5692999936 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.4 OCCCNCc1cc[nH]n1 AIFCHEM-94523163818 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.4 OCCCNCc1ncc[nH]1 AIFCHEM-94523160146 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.4 OCCCNCc1ncco1 AIFCHEM-94523165237 [0,1,0,0,0,0|2,1,0]=4 43 B11R1.25 CC(CO)NCc1cccs1 AIFCHEM-94562635155 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.25 CCC(=O)NCc1cncs1 AIFCHEM-94526501531 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.25 CCC(C)CNc1cncs1 AIFCHEM-94535765857 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.25 C[C@@H](CF)NCc1nccs1 AIFCHEM-6011483820 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.25 C[C@@H](CO)NCc1cccs1 AIFCHEM-6432870219 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.25 C[C@H](CF)NCc1nccs1 AIFCHEM-6089164822 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.25 C[C@H](CO)NCc1cccs1 AIFCHEM-6395146224 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.25 OCC(O)CNc1nccs1 AIFCHEM-94524287569 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.25 OC[C@@H](O)CNc1nccs1 AIFCHEM-94590868519 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.27 CCCCNc1ncc(s1)C AIFCHEM-94523041192 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.27 CCCNCc1cc(cs1)Cl AIFCHEM-94521370322 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.27 CCCNCc1cc(cs1)O AIFCHEM-94571799756 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.27 CCCNCc1ccc(o1)I AIFCHEM-94521368629 [0,1,0,0,0,0|1,1,0]=3 56 B11R1.27 CCCNCc1ccc(s1)Br AIFCHEM-94569020601 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.27 CCCNCc1ccc(s1)C AIFCHEM-5875387824 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.27 CCCNCc1ccc(s1)Cl AIFCHEM-5853190788 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.27 CCCNCc1cnc(s1)Cl AIFCHEM-94521372229 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.27 CCCNCc1csc(n1)C AIFCHEM-5790524244 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.27 CCCNCc1ncc(s1)Br AIFCHEM-5792596326 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.27 CCCNCc1nnc(s1)C AIFCHEM-94569564367 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.27 COCC=Cc1ccc(s1)C AIFCHEM-6297571681 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.27 Cc1ccc([nH]1)CNCCO AIFCHEM-94577775666 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.27 Cc1ccc(s1)CNCCO AIFCHEM-6432101546 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.27 FCCNCc1ccc(s1)Br AIFCHEM-5861555800 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.27 FCCNCc1cnc(s1)Cl AIFCHEM-5827482070 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.27 N#CCNCc1cc(cs1)Cl AIFCHEM-94558706567 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.27 N#CCNCc1ccc(s1)Cl AIFCHEM-94558707400 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.27 OCCNCc1cc(cs1)O AIFCHEM-94571792125 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.27 OCCNCc1ccc(o1)Cl AIFCHEM-6481581861 [0,1,0,0,0,0|2,1,0]=4 72 B11R1.27 OCCNCc1ccc(s1)Br AIFCHEM-94577779087 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.27 OCCNCc1ccc(s1)Cl AIFCHEM-94577780508 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.27 OCCNCc1cnc(s1)Br AIFCHEM-6463351448 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.27 OCCNCc1nc(cs1)Br AIFCHEM-6431792344 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.27 Oc1csc(c1)CNCCF AIFCHEM-94571798758 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.29 CC(NCCO)c1nccs1 AIFCHEM-94577777792 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [0,1,0,0,0,0|1,1,1]=4 79 B11R1.29 CCCNC(=O)c1cncs1 AIFCHEM-5791023939 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.29 CCCNC(=O)c1nccs1 AIFCHEM-94521374375 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.29 CCCNC(C)c1ncco1 AIFCHEM-94521371312 [0,1,0,0,0,0|2,1,0]=4 82 B11R1.30 CCCC(C)Nc1ccsc1 AIFCHEM-94572615130 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.30 CCCN(C)Cc1ccsc1 AIFCHEM-5860062278 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.30 CCCN(C)Cc1ncco1 AIFCHEM-5878772510 [0,1,0,0,0,0|2,1,0]=4 85 B11R1.30 CN(CCO)Cc1cccs1 AIFCHEM-6388930207 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.172 CC(C)CNCc1cocn1 AIFCHEM-94572971302 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.172 CC(C)CNCc1cscn1 AIFCHEM-94547319480 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.172 CC(C)CNCc1nccs1 AIFCHEM-94572982190 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.172 CC(O)CNCc1cc[nH]c1 AIFCHEM-94558285511 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.172 CC(O)CNCc1cc[nH]n1 AIFCHEM-94524668580 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.172 CC(O)CNCc1ccsc1 AIFCHEM-6466172880 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.172 CC(O)CNCc1cnco1 AIFCHEM-6417392794 [0,1,0,0,0,0|2,1,0]=4 93 B11R1.172 CC(O)CNCc1cscn1 AIFCHEM-6466243480 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.172 C[C@@H](O)CNCc1cc[nH]n1 AIFCHEM-94524662824 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.172 C[C@@H](O)CNCc1ccsc1 AIFCHEM-6492925846 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.172 C[C@@H](O)CNCc1cnco1 AIFCHEM-6491190597 [0,1,0,0,0,0|2,1,0]=4 97 B11R1.172 C[C@@H](O)CNCc1cscn1 AIFCHEM-6491221659 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.172 C[C@H](O)CNCc1cc[nH]n1 AIFCHEM-94524662825 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.172 C[C@H](O)CNCc1ccsc1 AIFCHEM-6492705573 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.172 C[C@H](O)CNCc1cnco1 AIFCHEM-6500782137 [0,1,0,0,0,0|2,1,0]=4 101 B11R1.172 C[C@H](O)CNCc1cscn1 AIFCHEM-6500482011 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.180 CCCNCc1nc[nH]c1C AIFCHEM-94521370942 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.180 FCCNCc1occc1Br AIFCHEM-5871087582 [0,1,0,0,0,0|2,1,0]=4 104 B11R1.180 FCCNCc1sccc1Br AIFCHEM-5871161579 [0,1,0,0,0,0|2,0,0]=3 105 B11R2.2 C1=C(CNC1)c2cccs2 AIFCHEM-94564041123 [0,0,0,1,0,0|1,0,2]=4 106 B11R2.237 C(=C1CCC1)c2nccs2 AIFCHEM-6313239043 [0,0,0,1,0,0|1,0,2]=4 107 B11R2.237 c1cc(co1)CN2CCC2 AIFCHEM-5996117944 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.237 c1csc(c1)CN2CCC2 AIFCHEM-6042461841 [0,0,0,1,0,0|1,0,0]=2 109 B11R2.237 c1nc(co1)CN2CCC2 AIFCHEM-94604919154 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.237 c1nc(cs1)CN2CCC2 AIFCHEM-5996131278 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.385 C(=CC1CC1)c2ccco2 AIFCHEM-94569116302 [0,0,0,1,0,0|0,1,2]=4 112 B11R2.385 C(=CC1CC1)c2ccns2 AIFCHEM-6446038724 [0,0,0,1,0,0|1,0,2]=4 113 B11R2.385 C(=CC1CC1)c2cncs2 AIFCHEM-6289913427 [0,0,0,1,0,0|1,0,2]=4 114 B11R2.385 C(=CC1CC1)c2nccs2 AIFCHEM-6314044845 [0,0,0,1,0,0|1,0,2]=4 115 B11R2.385 c1cc(cs1)NCC2CC2 AIFCHEM-5670400180 [0,0,0,1,0,0|3,0,0]=4 116 B11R2.385 c1csc(c1)CNC2CC2 AIFCHEM-94573318906 [0,0,0,1,0,0|1,0,0]=2 117 B11R2.385 c1csc(n1)CNC2CC2 AIFCHEM-94573312387 [0,0,0,1,0,0|2,0,0]=3 118 B11R2.385 c1nc(c[nH]1)CNC2CC2 AIFCHEM-94573315468 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.385 c1nc(co1)CNC2CC2 AIFCHEM-94573312922 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.385 c1nnc(s1)NCC2CC2 AIFCHEM-5967563177 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.385 c1nnsc1NCC2CC2 AIFCHEM-5911282615 [0,0,0,1,0,0|3,0,0]=4 122 B11R1.28 CCCC=Cc1ncccn1 AIFCHEM-6312655367 [0,0,0,0,0,1|1,0,2]=4 123 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [0,0,0,0,0,1|2,0,0]=3 124 B11R1.28 FCCNCc1ccccn1 AIFCHEM-5801248605 [0,0,0,0,0,1|3,0,0]=4 125 B11R1.28 FCCNCc1cccnn1 AIFCHEM-5801265591 [0,0,0,0,0,1|3,0,0]=4 126 B11R1.28 OCCNCc1ccncn1 AIFCHEM-6389148719 [0,0,0,0,0,1|3,0,0]=4 127 B11R1.28 OCCNCc1ncccn1 AIFCHEM-6481313728 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.11 CCNC(C)c1nccs1 AIFCHEM-94559945291 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [1,1,0,0,0,0|1,1,0]=4 130 B10R1.16 CCCNc1cnc(s1)C AIFCHEM-94569023764 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.16 CCNCc1cnc(s1)Br AIFCHEM-94537414451 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.27 CCN(C)Cc1ccco1 AIFCHEM-94537421946 [1,1,0,0,0,0|1,1,0]=4 133 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.66 CC(C)CNc1cncs1 AIFCHEM-94572976233 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.1 CCCCNc1ccc(cc1)C AIFCHEM-94523028188 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.1 CCCCNc1ccc(cc1)F AIFCHEM-94523042368 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.1 CCCCNc1ccc(cn1)C AIFCHEM-94523032560 [0,1,0,0,0,1|2,0,0]=4 138 B12R1.1 CCCCNc1ccc(cn1)O AIFCHEM-94523039171 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.1 CCCCNc1ccc(nc1)Br AIFCHEM-94523031044 [0,1,0,0,0,1|2,0,0]=4 140 B12R1.1 CCCCNc1ccc(nc1)Cl AIFCHEM-94523038884 [0,1,0,0,0,1|2,0,0]=4 141 B12R1.1 CCCCNc1ccc(nc1)F AIFCHEM-94523033545 [0,1,0,0,0,1|2,0,0]=4 142 B12R1.1 CCCCNc1ccc(nc1)O AIFCHEM-94523029087 [0,1,0,0,0,1|2,0,0]=4 143 B12R1.1 CCCCNc1ncc(cn1)Br AIFCHEM-94523041677 [0,1,0,0,0,1|2,0,0]=4 144 B12R1.1 CCCCNc1ncc(cn1)C AIFCHEM-94523038531 [0,1,0,0,0,1|2,0,0]=4 145 B12R1.1 CCCNCc1ccc(cn1)C AIFCHEM-94569018920 [0,1,0,0,0,1|2,0,0]=4 146 B12R1.1 CCCNCc1ccc(nc1)C AIFCHEM-5814844407 [0,1,0,0,0,1|2,0,0]=4 147 B12R1.1 CCCNCc1ccc(nc1)Cl AIFCHEM-94569024760 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.1 CCCNCc1ccc(nc1)F AIFCHEM-5875471513 [0,1,0,0,0,1|2,0,0]=4 149 B12R1.1 CCCNCc1ccc(nn1)Cl AIFCHEM-94569023378 [0,1,0,0,0,1|2,0,0]=4 150 B12R1.1 CCCNCc1cnc(cn1)C AIFCHEM-94521369892 [0,1,0,0,0,1|2,0,0]=4 151 B12R1.8 CCCCCNc1cnccn1 AIFCHEM-94551433700 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.8 CCCCNCc1ccncn1 AIFCHEM-5725536655 [0,1,0,0,0,1|1,0,0]=3 153 B12R1.8 CCCCNCc1cnccn1 AIFCHEM-5751587140 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.8 CCNCCCc1cccnc1 AIFCHEM-94537421400 [0,1,0,0,0,1|1,0,0]=3 155 B12R1.8 CCNCCOc1cccnc1 AIFCHEM-94537420048 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.8 CSCCCNc1ccncc1 AIFCHEM-94546183382 [0,1,0,0,0,1|2,0,0]=4 157 B12R1.8 CSCCNCc1cccnc1 AIFCHEM-94598922606 [0,1,0,0,0,1|2,0,0]=4 158 B12R1.8 CSCCNCc1cccnn1 AIFCHEM-94598923257 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.8 CSCCNCc1ccncn1 AIFCHEM-5882410553 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.8 OCCCNCc1cccnc1 AIFCHEM-94523164274 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.8 OCCCNCc1ncccn1 AIFCHEM-94523163101 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.27 CCC(C)CNc1ccccn1 AIFCHEM-5933383275 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.27 CCC(C)CNc1ccncn1 AIFCHEM-6250188545 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.27 CCC(C)CNc1ncccn1 AIFCHEM-5877656562 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.28 CCCCNc1cccc(c1)Br AIFCHEM-94552679827 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.28 CCCCNc1cccc(c1)I AIFCHEM-94523040021 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.28 CCCCNc1ccnc(c1)Br AIFCHEM-94523041478 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.28 CCCCNc1ccnc(c1)F AIFCHEM-94523033648 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.28 CCCCNc1cncc(c1)I AIFCHEM-94523035566 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.28 CCCNCc1cccc(c1)O AIFCHEM-94569022018 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.28 CCCNCc1cccc(n1)Br AIFCHEM-5853283410 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.28 CCCNCc1cccc(n1)Cl AIFCHEM-94569013145 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.28 CCCNCc1cccc(n1)F AIFCHEM-94521368095 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.28 CCCNCc1ccnc(c1)C AIFCHEM-5790952841 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.28 CCCNCc1ccnc(c1)O AIFCHEM-5853495193 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.30 CCCCN(C)c1ccncc1 AIFCHEM-94523028571 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.30 CCCNC(C)c1cnccn1 AIFCHEM-94569014093 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.32 CCCN(C)Cc1ccccn1 AIFCHEM-5860218756 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.252 CC(C)CNCc1ccccn1 AIFCHEM-94572980232 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.252 CC(C)CNCc1ccncn1 AIFCHEM-6162129461 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.252 CC(O)CNCc1ccncc1 AIFCHEM-6416585554 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.252 C[C@@H](O)CNCc1ccncc1 AIFCHEM-6490834951 [0,1,0,0,0,1|2,0,0]=4 183 B12R1.252 C[C@H](O)CNCc1ccncc1 AIFCHEM-6495203428 [0,1,0,0,0,1|2,0,0]=4 184 B12R1.267 CCCCNc1cccnc1Cl AIFCHEM-94523040091 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.267 CCCCNc1cnccc1O AIFCHEM-94523040136 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.267 CCCCNc1ncccc1C AIFCHEM-94523032559 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.267 CCCCNc1ncccc1F AIFCHEM-94523034766 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.267 CCCCNc1ncccc1O AIFCHEM-94523032927 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.267 CCCNCc1ccccc1Cl AIFCHEM-94555005997 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.267 CCCNCc1ccccc1O AIFCHEM-94592060285 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.267 CCCNCc1cccnc1Br AIFCHEM-5792684305 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.267 CCCNCc1ccncc1Br AIFCHEM-94521371032 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.267 CCCNCc1ncccc1Br AIFCHEM-5875357386 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.267 CCCNCc1ncccc1C AIFCHEM-5791070021 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.267 CCCNCc1ncccc1Cl AIFCHEM-94521368071 [0,1,0,0,0,1|2,0,0]=4 196 B12R1.7 CCCCC=Cc1cc(ns1)C AIFCHEM-6370900949 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.7 CCCCCNc1cc([nH]n1)Cl AIFCHEM-94551438591 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.7 CCCCCNc1cc(n[nH]1)C AIFCHEM-94551431005 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.7 CCCCCNc1cn(cn1)C AIFCHEM-94551438188 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.7 CCCCCNc1cnc(s1)C AIFCHEM-94551438205 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.7 CCCCCNc1ncc(s1)Br AIFCHEM-94551426106 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.7 CCCCCNc1ncc(s1)C AIFCHEM-94551436403 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.7 CCCCNCc1cc([nH]n1)C AIFCHEM-94570972679 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.7 CCCCNCc1cc(cs1)Br AIFCHEM-94574576030 [0,2,0,0,0,0|0,0,0]=2 205 B12R1.7 CCCCNCc1cc(cs1)O AIFCHEM-94570972469 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.7 CCCCNCc1ccc(o1)Cl AIFCHEM-94570971877 [0,2,0,0,0,0|0,1,0]=3 207 B12R1.7 CCCCNCc1ccc(o1)I AIFCHEM-94570972324 [0,2,0,0,0,0|0,1,0]=3 208 B12R1.7 CCCCNCc1ccc(s1)Br AIFCHEM-5693306515 [0,2,0,0,0,0|0,0,0]=2 209 B12R1.7 CCCCNCc1ccc(s1)C AIFCHEM-5736265191 [0,2,0,0,0,0|0,0,0]=2 210 B12R1.7 CCCCNCc1cnc(o1)C AIFCHEM-94570975509 [0,2,0,0,0,0|1,1,0]=4 211 B12R1.7 CCCCNCc1cnc(s1)Br AIFCHEM-94523027517 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.7 CCCCNCc1coc(n1)Br AIFCHEM-94570969717 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.7 CCCCNCc1csc(n1)C AIFCHEM-5744886639 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.7 CCCCNCc1ncc(s1)Cl AIFCHEM-94570974136 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.7 CCNCCCn1cc(cn1)Br AIFCHEM-94541860091 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.7 COCCNCc1cc(cs1)O AIFCHEM-94571788977 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.7 COCCNCc1ccc(s1)Br AIFCHEM-6038467949 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.7 CSCCCNc1ncc(s1)F AIFCHEM-94546185234 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.7 CSCCNCc1cc(cs1)Cl AIFCHEM-5813352913 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.7 CSCCNCc1cc(cs1)O AIFCHEM-94571801424 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.7 CSCCNCc1ccc(o1)I AIFCHEM-94598921399 [0,2,0,0,0,0|1,1,0]=4 222 B12R1.7 CSCCNCc1ccc(s1)Cl AIFCHEM-94598923925 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.7 CSCCNCc1nc(cs1)C AIFCHEM-5830987324 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.7 CSCCNCc1ncc(s1)Br AIFCHEM-94598924901 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.7 Cc1cnc(s1)CNCCCO AIFCHEM-6421302077 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.7 OCCCNCc1cc(co1)Br AIFCHEM-6421061554 [0,2,0,0,0,0|1,1,0]=4 227 B12R1.7 OCCCNCc1cc(cs1)Cl AIFCHEM-6438077571 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.7 OCCCNCc1cc(cs1)O AIFCHEM-94571792342 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.7 OCCCNCc1ccc(o1)Cl AIFCHEM-94523162620 [0,2,0,0,0,0|1,1,0]=4 230 B12R1.7 OCCCNCc1ccc(o1)I AIFCHEM-94523163067 [0,2,0,0,0,0|1,1,0]=4 231 B12R1.7 OCCCNCc1ccc(s1)Cl AIFCHEM-6447762610 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.35 CC(NCCCO)c1nccs1 AIFCHEM-94523162877 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.35 CSCCNC(C)c1nccs1 AIFCHEM-94598921209 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.37 CCCCCC=Cc1cccs1 AIFCHEM-94564040572 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.37 CCCCCC=Cc1cscn1 AIFCHEM-6333129405 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.37 CCCCCC=Cc1ncco1 AIFCHEM-6399015052 [0,2,0,0,0,0|1,1,0]=4 237 B12R1.37 CCCCCNCc1cccs1 AIFCHEM-94562634994 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.37 CCCCCNCc1ccon1 AIFCHEM-94551424468 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.37 CCCCCNCc1ccsc1 AIFCHEM-94551423984 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.37 CCCCCNCc1ncc[nH]1 AIFCHEM-94522649826 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.37 CCOCCNCc1cnco1 AIFCHEM-94548603036 [0,2,0,0,0,0|1,1,0]=4 242 B12R1.37 CCSCCNCc1ccoc1 AIFCHEM-6011439598 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.37 CCSCCNCc1cnco1 AIFCHEM-94566114674 [0,2,0,0,0,0|1,1,0]=4 244 B12R1.37 CCSCCNCc1cscn1 AIFCHEM-94566117421 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.37 CSCCCNCc1ccco1 AIFCHEM-94546183170 [0,2,0,0,0,0|0,1,0]=3 246 B12R1.37 CSCCCNCc1cccs1 AIFCHEM-94546180846 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.37 CSCCCNCc1ncc[nH]1 AIFCHEM-94529050397 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.37 CSCCCNCc1ncco1 AIFCHEM-94546172932 [0,2,0,0,0,0|1,1,0]=4 249 B12R1.37 CSCCCNCc1nccs1 AIFCHEM-94607518981 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.37 OCCCCCNc1ccno1 AIFCHEM-6120165514 [0,2,0,0,0,0|1,1,0]=4 251 B12R1.37 OCCCCCNc1ccon1 AIFCHEM-6121863268 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.37 OCCCCCNc1ccsc1 AIFCHEM-5670212441 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.37 OCCCCNCc1cocn1 AIFCHEM-6502712923 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.51 CC(CC#N)NCc1cccs1 AIFCHEM-94562637430 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.51 CC(CCO)NCc1ccco1 AIFCHEM-94540085290 [0,2,0,0,0,0|1,1,0]=4 256 B12R1.51 CC(CCO)NCc1nccs1 AIFCHEM-5938628598 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.51 CCCC(C)NCc1ccco1 AIFCHEM-94557345122 [0,2,0,0,0,0|0,1,0]=3 258 B12R1.51 CCCC(C)NCc1cocn1 AIFCHEM-94606108697 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.51 CCCC(C)NCc1ncco1 AIFCHEM-94606108439 [0,2,0,0,0,0|1,1,0]=4 260 B12R1.51 CCC[C@@H](C)NCc1ccco1 AIFCHEM-94540076933 [0,2,0,0,0,0|0,1,0]=3 261 B12R1.51 CCC[C@@H](C)NCc1cocn1 AIFCHEM-6081700705 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.51 CCC[C@@H](C)NCc1ncco1 AIFCHEM-6031908931 [0,2,0,0,0,0|1,1,0]=4 263 B12R1.51 CCC[C@H](C)NCc1ccco1 AIFCHEM-94540083968 [0,2,0,0,0,0|0,1,0]=3 264 B12R1.51 CCC[C@H](C)NCc1cocn1 AIFCHEM-5628196999 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.51 CCC[C@H](C)NCc1ncco1 AIFCHEM-5638056710 [0,2,0,0,0,0|1,1,0]=4 266 B12R1.51 COCC(C)NCc1ccco1 AIFCHEM-94540086418 [0,2,0,0,0,0|1,1,0]=4 267 B12R1.51 COC[C@@H](C)NCc1ccco1 AIFCHEM-94540093327 [0,2,0,0,0,0|1,1,0]=4 268 B12R1.51 COC[C@H](C)NCc1ccco1 AIFCHEM-94540078169 [0,2,0,0,0,0|1,1,0]=4 269 B12R1.51 C[C@@H](CC#N)NCc1cccs1 AIFCHEM-6049407368 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.51 C[C@@H](CCO)NCc1ccco1 AIFCHEM-94540089100 [0,2,0,0,0,0|1,1,0]=4 271 B12R1.51 C[C@@H](CCO)NCc1nccs1 AIFCHEM-6496082401 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.51 C[C@H](CC#N)NCc1cccs1 AIFCHEM-6266974090 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.51 C[C@H](CCO)NCc1ccco1 AIFCHEM-94540089101 [0,2,0,0,0,0|1,1,0]=4 274 B12R1.51 C[C@H](CCO)NCc1nccs1 AIFCHEM-6440261894 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.53 CCCCN(C)Cc1cccs1 AIFCHEM-94523041299 [0,2,0,0,0,0|0,0,0]=2 276 B12R1.53 CCCNC(=O)Cc1cccs1 AIFCHEM-5791342008 [0,2,0,0,0,0|0,0,1]=3 277 B12R1.53 CN(CCCO)Cc1cccs1 AIFCHEM-6479169262 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.53 CN(CCCO)Cc1nccs1 AIFCHEM-6479321289 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.53 COCCN(C)Cc1cncs1 AIFCHEM-5998213555 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.53 CSCCN(C)Cc1ccco1 AIFCHEM-94540093248 [0,2,0,0,0,0|1,1,0]=4 281 B12R1.255 CC(C)CCNCc1cc[nH]n1 AIFCHEM-94524665836 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.255 CC(O)CCNCc1cccs1 AIFCHEM-94577738490 [0,2,0,0,0,0|0,0,0]=2 283 B12R1.255 CN(C)CCNCc1nccs1 AIFCHEM-94607517042 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.255 C[C@H](O)CCNCc1cccs1 AIFCHEM-94544716756 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.255 FC(F)CCNCc1cccs1 AIFCHEM-6190387352 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.255 FC(F)CCNCc1cncs1 AIFCHEM-6212811986 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.255 O=C(O)CCNCc1cccs1 AIFCHEM-5885864236 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.372 CCCCNCc1ccsc1Cl AIFCHEM-5736412903 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.372 CCCCNCc1nc[nH]c1Br AIFCHEM-94570973580 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.372 CCCCNCc1occc1Br AIFCHEM-94570970900 [0,2,0,0,0,0|0,1,0]=3 291 B12R1.372 CCCCNCc1sccc1Br AIFCHEM-94523029842 [0,2,0,0,0,0|0,0,0]=2 292 B12R1.372 CCCCNCc1sccc1C AIFCHEM-94570974077 [0,2,0,0,0,0|0,0,0]=2 293 B12R1.372 CCCCNCc1scnc1Cl AIFCHEM-94570969542 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.372 COCCNCc1scnc1Cl AIFCHEM-6015762064 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.372 CSCCNCc1sccc1Cl AIFCHEM-5882396048 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.477 CC(C#N)CNCc1cccs1 AIFCHEM-6038443363 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.477 CC(CO)CNCc1ccco1 AIFCHEM-94540081585 [0,2,0,0,0,0|1,1,0]=4 298 B12R1.477 CC(CO)CNCc1cccs1 AIFCHEM-94540296854 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.477 CCC(=O)NCCc1nccs1 AIFCHEM-94526503930 [0,2,0,0,0,0|1,0,1]=4 300 B12R1.477 CCC(C)CNCc1cncs1 AIFCHEM-5987546026 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.477 CCC(C)CNCc1cocn1 AIFCHEM-94534470262 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.477 CCC(F)CNCc1ccoc1 AIFCHEM-5838836623 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.477 CCC(O)CNCc1cc[nH]n1 AIFCHEM-94524657946 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.477 CCC(O)CNCc1cccs1 AIFCHEM-6456829418 [0,2,0,0,0,0|0,0,0]=2 305 B12R1.477 CC[C@@H](O)CNCc1cc[nH]n1 AIFCHEM-94524657944 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.477 CC[C@@H](O)CNCc1cccs1 AIFCHEM-6416951945 [0,2,0,0,0,0|0,0,0]=2 307 B12R1.477 CNC(=O)CNCc1cccs1 AIFCHEM-94562546321 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.477 COC(=O)CNCc1cccs1 AIFCHEM-6233438102 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.477 COC(C)CNCc1cncs1 AIFCHEM-5789067425 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.477 CO[C@@H](C)CNCc1cncs1 AIFCHEM-94588779448 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.477 CO[C@H](C)CNCc1cncs1 AIFCHEM-94608835542 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.477 OCC(O)CNCc1ccco1 AIFCHEM-94594828484 [0,2,0,0,0,0|1,1,0]=4 313 B12R1.477 OCC(O)CNCc1cncs1 AIFCHEM-94571858505 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.477 OCC(O)CNCc1nccs1 AIFCHEM-94607520234 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.477 OC[C@@H](F)CNCc1ccco1 AIFCHEM-94540086049 [0,2,0,0,0,0|1,1,0]=4 316 B12R1.477 OC[C@@H](F)CNCc1cncs1 AIFCHEM-94577435722 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.477 OC[C@@H](F)CNCc1nccs1 AIFCHEM-94577435823 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.477 OC[C@@H](O)CNCc1ccco1 AIFCHEM-94594827927 [0,2,0,0,0,0|1,1,0]=4 319 B12R1.477 OC[C@@H](O)CNCc1cncs1 AIFCHEM-94590556348 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.477 OC[C@@H](O)CNCc1nccs1 AIFCHEM-94590568882 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.477 OC[C@H](F)CNCc1ccco1 AIFCHEM-94540086048 [0,2,0,0,0,0|1,1,0]=4 322 B12R1.477 OC[C@H](F)CNCc1cncs1 AIFCHEM-6483491967 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.477 OC[C@H](F)CNCc1nccs1 AIFCHEM-6483487484 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.477 OC[C@H](O)CNCc1ccco1 AIFCHEM-94540089711 [0,2,0,0,0,0|1,1,0]=4 325 B12R1.477 OC[C@H](O)CNCc1cncs1 AIFCHEM-6482520482 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.477 OC[C@H](O)CNCc1nccs1 AIFCHEM-6471190973 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.15 CCC(=O)NC(C)c1cccs1 AIFCHEM-94528971797 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 AIFCHEM-94526505831 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.15 CCC(=O)N[C@H](C)c1cccs1 AIFCHEM-94526504967 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.26 CC(CF)NCc1cc(cs1)O AIFCHEM-94571804034 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.26 CC(CO)NCc1cc(cs1)O AIFCHEM-94571800482 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.26 CC(CO)NCc1ccc(s1)Cl AIFCHEM-6431902230 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.26 CCC(C)CNc1ccc(s1)C AIFCHEM-6224323555 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.26 CCC(C)CNc1nc(cs1)C AIFCHEM-6258000248 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.26 C[C@@H](CF)NCc1cc(cs1)O AIFCHEM-94571798749 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.26 C[C@@H](CO)NCc1cc(cs1)O AIFCHEM-94571796478 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.26 C[C@@H](CO)NCc1ccc(s1)Cl AIFCHEM-6437018242 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.26 C[C@H](CF)NCc1cc(cs1)O AIFCHEM-94571796454 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.26 C[C@H](CO)NCc1cc(cs1)O AIFCHEM-94571797545 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.26 C[C@H](CO)NCc1ccc(s1)Cl AIFCHEM-6414456283 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.108 CC(CO)N(C)Cc1cccs1 AIFCHEM-6480287164 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.108 CCC(=O)N(C)Cc1cccs1 AIFCHEM-94526508685 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.108 CCC(C)N(C)Cc1ccco1 AIFCHEM-94540090849 [0,2,0,0,0,0|1,1,0]=4 344 B12R1.108 C[C@@H](CO)N(C)Cc1cccs1 AIFCHEM-94590941776 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.108 C[C@H](CO)N(C)Cc1cccs1 AIFCHEM-6446457572 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.264 CC(C)C(=O)NCc1cccs1 AIFCHEM-94562649536 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.264 CC(C)C(C)NCc1ccco1 AIFCHEM-94557349416 [0,2,0,0,0,0|1,1,0]=4 348 B12R1.264 CC(C)[C@@H](C)NCc1ccco1 AIFCHEM-94576823774 [0,2,0,0,0,0|1,1,0]=4 349 B12R1.264 CC(O)C(C)NCc1ccco1 AIFCHEM-94547072196 [0,2,0,0,0,0|1,1,0]=4 350 B12R1.297 CCC(CC)NCc1ccco1 AIFCHEM-94540089116 [0,2,0,0,0,0|1,1,0]=4 351 B12R1.297 CCC(CO)NCc1ccco1 AIFCHEM-94594828136 [0,2,0,0,0,0|1,1,0]=4 352 B12R1.297 CC[C@@H](CO)NCc1ccco1 AIFCHEM-94540088760 [0,2,0,0,0,0|1,1,0]=4 353 B12R1.297 CC[C@H](CO)NCc1ccco1 AIFCHEM-94540088761 [0,2,0,0,0,0|1,1,0]=4 354 B12R1.297 OCC(CO)NCc1cccs1 AIFCHEM-6449205780 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.353 CC(CF)NCc1sccc1Br AIFCHEM-6106512642 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.353 C[C@@H](CF)NCc1sccc1Br AIFCHEM-6055273356 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.29 CCCNC(=O)c1cc(cs1)Br AIFCHEM-94521375097 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.29 CCCNC(=O)c1cc(cs1)Cl AIFCHEM-5791053990 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.29 CCCNC(C)c1ccc(s1)Cl AIFCHEM-94536456216 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.29 CCCN[C@@H](C)c1ccc(s1)Cl AIFCHEM-94569012540 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.29 CCCN[C@H](C)c1ccc(s1)Cl AIFCHEM-94569017052 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.31 CCCN(C)Cc1cc(cs1)O AIFCHEM-94571800634 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.31 CCCN(C)Cc1ccc(o1)C AIFCHEM-5801732733 [0,2,0,0,0,0|1,1,0]=4 364 B12R1.31 CCCN(C)Cc1cnc(s1)C AIFCHEM-5825161266 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.31 CCCN(C)Cc1nc(cs1)C AIFCHEM-5860249628 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.31 CN(CCO)Cc1cc(cs1)Br AIFCHEM-94548503561 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.31 CN(CCO)Cc1cc(cs1)O AIFCHEM-94548504504 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.105 CC(C)CNCc1cc(cs1)O AIFCHEM-94571802304 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.105 CC(C)CNCc1ncc(s1)Cl AIFCHEM-6144300878 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.105 CC(O)CNCc1cc(cs1)O AIFCHEM-94558283191 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.105 CC(O)CNCc1ncc(s1)Cl AIFCHEM-6483494067 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.105 C[C@@H](O)CNCc1cc(cs1)O AIFCHEM-94571796549 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.105 C[C@@H](O)CNCc1ncc(s1)Cl AIFCHEM-6490994686 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.105 C[C@H](O)CNCc1cc(cs1)O AIFCHEM-94571796550 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.105 C[C@H](O)CNCc1ncc(s1)Cl AIFCHEM-6500611594 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.105 Cc1ccc(o1)CNCC(C)O AIFCHEM-6395815492 [0,2,0,0,0,0|1,1,0]=4 377 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O AIFCHEM-6509526074 [0,2,0,0,0,0|1,1,0]=4 378 B12R1.105 Cc1ccc(o1)CNC[C@H](C)O AIFCHEM-6500519723 [0,2,0,0,0,0|1,1,0]=4 379 B12R1.105 Cc1cnc(s1)CNCC(C)C AIFCHEM-6145706559 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.105 Cc1csc(n1)CNCC(C)C AIFCHEM-6122838526 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.105 Oc1csc(c1)CNCC(F)F AIFCHEM-94571802441 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.455 CCCNCc1ccc(o1)C#N AIFCHEM-94521369561 [0,2,0,0,0,0|1,1,0]=4 383 B12R1.455 CCCNCc1cnc(s1)SC AIFCHEM-94521372228 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.455 COc1csc(c1)CNCCF AIFCHEM-5801535882 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.457 CCCCNc1nc(c(s1)Cl)C AIFCHEM-94523037834 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.457 CCCNCc1cc(c(s1)Br)Br AIFCHEM-5853220649 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.457 Cc1sc(cc1Br)CNCCF AIFCHEM-5871210775 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.457 OCCNCc1cc(c(s1)Br)Br AIFCHEM-6463175578 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.260 CC(C)CN(C)Cc1ccco1 AIFCHEM-94540089238 [0,2,0,0,0,0|1,1,0]=4 390 B12R1.260 CC(C)CN(C)Cc1cncs1 AIFCHEM-5710476162 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.260 CC(C)CN(C)Cc1nccs1 AIFCHEM-94572974859 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.260 CC(O)CN(C)Cc1cccs1 AIFCHEM-6483873459 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.260 CN(Cc1cccs1)CC(F)F AIFCHEM-5918851585 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.318 CCCN(C)Cc1occc1Br AIFCHEM-5801707346 [0,2,0,0,0,0|1,1,0]=4 395 B12R1.318 CCCN(C)Cc1sccc1Br AIFCHEM-5802064734 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.318 CCCN(C)Cc1sccc1Cl AIFCHEM-5808690176 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.318 CN(CCO)Cc1sccc1Br AIFCHEM-94548507843 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.318 CN(CCO)Cc1sccc1Cl AIFCHEM-6475401701 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.130 CC(C)CNCc1occc1Br AIFCHEM-94563720197 [0,2,0,0,0,0|1,1,0]=4 400 B12R1.130 Cc1ncsc1CNCC(C)C AIFCHEM-94563724445 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.130 FC(F)CNCc1sccc1Cl AIFCHEM-6063224051 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.890 CC(C)(C)CCNc1cncs1 AIFCHEM-94535762412 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.890 CC(C)(C)CNCc1ccco1 AIFCHEM-94540088701 [0,2,0,0,0,0|1,1,0]=4 404 B12R1.890 CC(F)(F)CNCc1nccs1 AIFCHEM-5903089308 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.45 CCCC=Cc1sccc1C#N AIFCHEM-6455822350 [0,2,0,0,0,0|0,0,2]=4 406 B12R1.45 CCCNCc1occc1OC AIFCHEM-94521368972 [0,2,0,0,0,0|1,1,0]=4 407 B12R2.2057 c1cc(ccn1)CNC2CC2 AIFCHEM-6108865476 [0,0,0,1,0,1|2,0,0]=4 408 B12R2.2057 c1cc(ncn1)NCC2CC2 AIFCHEM-6223436739 [0,0,0,1,0,1|2,0,0]=4 409 B12R2.2057 c1cnc(nc1)CNC2CC2 AIFCHEM-94573315291 [0,0,0,1,0,1|2,0,0]=4 410 B12R2.2057 c1cncc(c1)CNC2CC2 AIFCHEM-94573316464 [0,0,0,1,0,1|2,0,0]=4 411 B12R2.2057 c1cnnc(c1)CNC2CC2 AIFCHEM-6109237002 [0,0,0,1,0,1|2,0,0]=4 412 B12R2.2058 c1cc(ccn1)CN2CCC2 AIFCHEM-94604924562 [0,0,0,1,0,1|2,0,0]=4 413 B12R2.2058 c1cncc(c1)NC2CCC2 AIFCHEM-94531001888 [0,0,0,1,0,1|2,0,0]=4 414 B12R2.10 Cc1ccsc1C2=CCCC2 AIFCHEM-6341430135 [0,1,0,1,0,0|0,0,2]=4 415 B12R2.12 CC1CCN1Cc2ccsc2 AIFCHEM-6087423871 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.12 C[C@@H]1CCN1Cc2cc[nH]c2 AIFCHEM-6209809112 [0,1,0,1,0,0|2,0,0]=4 417 B12R2.12 C[C@@H]1CCN1Cc2ccsc2 AIFCHEM-6234198254 [0,1,0,1,0,0|2,0,0]=4 418 B12R2.12 C[C@@H]1CCN1Cc2cocn2 AIFCHEM-6233759097 [0,1,0,1,0,0|2,0,0]=4 419 B12R2.12 C[C@H]1CCN1Cc2cc[nH]c2 AIFCHEM-5760337671 [0,1,0,1,0,0|2,0,0]=4 420 B12R2.12 C[C@H]1CCN1Cc2ccsc2 AIFCHEM-5744201505 [0,1,0,1,0,0|2,0,0]=4 421 B12R2.20 C[C@@H]1C[C@H]1NCc2cc[nH]n2 AIFCHEM-94559009014 [0,1,0,1,0,0|2,0,0]=4 422 B12R2.20 C[C@@H]1C[C@H]1NCc2cccs2 AIFCHEM-94559011912 [0,1,0,1,0,0|0,0,0]=2 423 B12R2.20 C[C@@H]1C[C@H]1NCc2ccsc2 AIFCHEM-94559009460 [0,1,0,1,0,0|2,0,0]=4 424 B12R2.20 C[C@@H]1C[C@H]1NCc2cocn2 AIFCHEM-94559005928 [0,1,0,1,0,0|2,0,0]=4 425 B12R2.20 FC1CC1NCc2ccco2 AIFCHEM-94597363839 [0,1,0,1,0,0|1,1,0]=4 426 B12R2.20 FC1CC1NCc2cncs2 AIFCHEM-94597357220 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.20 F[C@@H]1C[C@@H]1NCc2ccco2 AIFCHEM-94540080768 [0,1,0,1,0,0|1,1,0]=4 428 B12R2.20 F[C@@H]1C[C@H]1NCc2ccco2 AIFCHEM-94540077937 [0,1,0,1,0,0|1,1,0]=4 429 B12R2.20 F[C@H]1C[C@@H]1NCc2ccco2 AIFCHEM-94540081991 [0,1,0,1,0,0|1,1,0]=4 430 B12R2.20 F[C@H]1C[C@@H]1NCc2cncs2 AIFCHEM-94589279328 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.20 F[C@H]1C[C@H]1NCc2ccco2 AIFCHEM-94540080769 [0,1,0,1,0,0|1,1,0]=4 432 B12R2.20 F[C@H]1C[C@H]1NCc2cncs2 AIFCHEM-6081698181 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.98 C(=C1CCCC1)c2nccs2 AIFCHEM-6289659044 [0,1,0,1,0,0|1,0,1]=4 434 B12R2.98 c1csc(n1)CN2CCSC2 AIFCHEM-5623926611 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.315 CCN1CCCc2c1cn[nH]2 AIFCHEM-94537417634 [0,1,0,1,0,0|2,0,0]=4 436 B12R2.2056 c1c[nH]c(n1)CNC2CCC2 AIFCHEM-94576051011 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.2056 c1coc(c1)CNC2CCC2 AIFCHEM-94540084748 [0,1,0,1,0,0|0,1,0]=3 438 B12R2.2056 c1coc(c1)CNC2CSC2 AIFCHEM-94540079789 [0,1,0,1,0,0|1,1,0]=4 439 B12R2.2056 c1ncc(s1)CNC2COC2 AIFCHEM-94539428863 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.2056 c1nsc(n1)NCC2CCC2 AIFCHEM-94536733671 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.2383 c1cc(n[nH]1)CNCC2CC2 AIFCHEM-94524662384 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.2383 c1coc(c1)CNCC2CC2 AIFCHEM-94557346397 [0,1,0,1,0,0|0,1,0]=3 443 B12R2.2383 c1nc(cs1)CNCC2CC2 AIFCHEM-5628645420 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.6 Cc1csc(c1)C2=CCCC2 AIFCHEM-6391884558 [0,1,0,1,0,0|0,0,2]=4 445 B12R2.2298 Brc1ccc(s1)CNC2CC2 AIFCHEM-94573316362 [0,1,0,1,0,0|1,0,0]=3 446 B12R2.2298 Brc1csc(c1)CNC2CC2 AIFCHEM-6108553776 [0,1,0,1,0,0|1,0,0]=3 447 B12R2.2298 Brc1ncc(s1)CNC2CC2 AIFCHEM-94573316345 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.2298 Cc1ccc(s1)C=CC2CC2 AIFCHEM-94569117997 [0,1,0,1,0,0|0,0,2]=4 449 B12R2.2298 Clc1csc(c1)CNC2CC2 AIFCHEM-94573316950 [0,1,0,1,0,0|1,0,0]=3 450 B12R2.2298 Fc1cnc(s1)NCC2CC2 AIFCHEM-6159806863 [0,1,0,1,0,0|2,0,0]=4 451 B12R2.2298 Oc1csc(c1)CNC2CC2 AIFCHEM-94571802121 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.2298 Oc1csc(n1)NCC2CC2 AIFCHEM-94603844567 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.2301 Brc1c[nH]c(c1)CN2CCC2 AIFCHEM-94604924974 [0,1,0,1,0,0|2,0,0]=4 454 B12R2.2301 Brc1ccc(s1)CN2CCC2 AIFCHEM-94604922594 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.2301 Cc1ccc(s1)CN2CCC2 AIFCHEM-94604919784 [0,1,0,1,0,0|1,0,0]=3 456 B12R2.2301 Cc1ncc(s1)NC2CCC2 AIFCHEM-94576058938 [0,1,0,1,0,0|2,0,0]=4 457 B12R2.2301 Clc1csc(c1)CN2CCC2 AIFCHEM-6042265686 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.2301 Clc1ncc(s1)CN2CCC2 AIFCHEM-5996154790 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.2301 Ic1ccc(o1)CN2CCC2 AIFCHEM-6083569558 [0,1,0,1,0,0|1,1,0]=4 460 B12R2.2301 Oc1csc(c1)CN2CCC2 AIFCHEM-94604921634 [0,1,0,1,0,0|1,0,0]=3 461 B12R2.2074 O=C(NC1CC1)c2cccs2 AIFCHEM-94573325558 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.136 FC1CN(C1)Cc2cccs2 AIFCHEM-5647272820 [0,1,0,1,0,0|1,0,0]=3 463 B12R2.136 OC1CN(C1)Cc2nccs2 AIFCHEM-6440536529 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.466 Brc1ccoc1CNC2CC2 AIFCHEM-6108914728 [0,1,0,1,0,0|1,1,0]=4 465 B12R2.466 Clc1ccsc1CNC2CC2 AIFCHEM-6133521977 [0,1,0,1,0,0|1,0,0]=3 466 B12R2.1114 Cc1ccsc1CN2CCC2 AIFCHEM-5996635028 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.1114 Cn1cccc1CN2CCC2 AIFCHEM-94604919171 [0,1,0,1,0,0|2,0,0]=4