0 B12R1.37 CCCCCC=Cc1cccs1 AIFCHEM-94564040572 [0,0,0,0,0,0|0,1,2]=3 1 B12R1.37 CCCCCC=Cc1cscn1 AIFCHEM-6333129405 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.37 CCCCCC=Cc1ncco1 AIFCHEM-6399015052 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.37 CCCCCNCc1cccs1 AIFCHEM-94562634994 [0,0,0,0,0,0|1,1,0]=2 4 B12R1.37 CCCCCNCc1ccon1 AIFCHEM-94551424468 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.37 CCCCCNCc1ccsc1 AIFCHEM-94551423984 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.37 CCCCCNCc1cn[nH]c1 AIFCHEM-94552820862 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.37 CCCCCNCc1ncc[nH]1 AIFCHEM-94522649826 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.37 CCOCCNCc1cnco1 AIFCHEM-94548603036 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.37 CCSCCNCc1ccoc1 AIFCHEM-6011439598 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.37 CCSCCNCc1cnco1 AIFCHEM-94566114674 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.37 CCSCCNCc1cscn1 AIFCHEM-94566117421 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.37 CSCCCNCc1ccco1 AIFCHEM-94546183170 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.37 CSCCCNCc1cccs1 AIFCHEM-94546180846 [0,0,0,0,0,0|2,1,0]=3 14 B12R1.37 CSCCCNCc1ncc[nH]1 AIFCHEM-94529050397 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.37 CSCCCNCc1ncco1 AIFCHEM-94546172932 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.37 CSCCCNCc1nccs1 AIFCHEM-94607518981 [0,0,0,0,0,0|3,1,0]=4 17 B12R1.37 OCCCCCNc1ccno1 AIFCHEM-6120165514 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.37 OCCCCCNc1ccon1 AIFCHEM-6121863268 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.37 OCCCCCNc1ccsc1 AIFCHEM-5670212441 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.37 OCCCCNCc1cocn1 AIFCHEM-6502712923 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.4 CCCCCNc1ccon1 AIFCHEM-94551428350 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.4 CCCCNCc1cccs1 AIFCHEM-94523039677 [1,0,0,0,0,0|1,1,0]=3 23 B11R1.4 CCCCNCc1ccoc1 AIFCHEM-5725341086 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.4 CCCCNCc1ncco1 AIFCHEM-94523028020 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.4 CCCCNCc1nccs1 AIFCHEM-94523038846 [1,0,0,0,0,0|2,1,0]=4 26 B11R1.4 CCCNCCc1cncs1 AIFCHEM-94569022413 [1,0,0,0,0,0|2,1,0]=4 27 B11R1.4 CCNCCCn1cccc1 AIFCHEM-94537423465 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.4 CSCCNCc1cccs1 AIFCHEM-5830819053 [1,0,0,0,0,0|2,1,0]=4 29 B11R1.4 CSCCNCc1ncco1 AIFCHEM-94598923569 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.4 OCCCNCc1ncco1 AIFCHEM-94523165237 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.27 CCCCCNCc1cc(cs1)C AIFCHEM-94552822174 [0,1,0,0,0,0|1,1,0]=3 32 B13R1.27 CCCCCNCc1cc(cs1)Cl AIFCHEM-94522654440 [0,1,0,0,0,0|1,1,0]=3 33 B13R1.27 CCCCCNCc1cc(cs1)O AIFCHEM-94571801814 [0,1,0,0,0,0|1,1,0]=3 34 B13R1.27 CCCCCNCc1cc(no1)Br AIFCHEM-94551438440 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.27 CCCCCNCc1ccc(o1)Br AIFCHEM-94522651987 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.27 CCCCCNCc1ccc(o1)Cl AIFCHEM-94522652300 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.27 CCCCCNCc1ccc(o1)I AIFCHEM-94552820311 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.27 CCCCCNCc1ccc(s1)Cl AIFCHEM-94551434287 [0,1,0,0,0,0|1,1,0]=3 39 B13R1.27 CCCCCNCc1cnc(o1)C AIFCHEM-94552823496 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.27 CCCCCNCc1cnc(s1)C AIFCHEM-94522649777 [0,1,0,0,0,0|2,1,0]=4 41 B13R1.27 CCCCCNCc1coc(n1)Br AIFCHEM-94552817704 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.27 CCCCNCCc1cn(cn1)C AIFCHEM-94523040340 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.27 CCCNCCCn1cc(cn1)Br AIFCHEM-94541855332 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.27 CCOCCNCc1cc(cs1)Br AIFCHEM-94548604572 [0,1,0,0,0,0|2,1,0]=4 45 B13R1.27 CCOCCNCc1cc(cs1)O AIFCHEM-94571789040 [0,1,0,0,0,0|2,1,0]=4 46 B13R1.27 CCOCCNCc1cc(no1)Br AIFCHEM-94548604997 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.27 CCOCCNCc1ccc(o1)Cl AIFCHEM-94548604923 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.27 CCOCCNCc1ccc(s1)C AIFCHEM-94548603665 [0,1,0,0,0,0|2,1,0]=4 49 B13R1.27 CCSCCNCc1ccc(o1)Cl AIFCHEM-6081764743 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.27 CCSCCNCc1ccc(s1)Br AIFCHEM-94566118113 [0,1,0,0,0,0|2,1,0]=4 51 B13R1.27 COCCCNCc1cc(co1)Br AIFCHEM-94598888062 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.27 COCCCNCc1cc(cs1)O AIFCHEM-94571794237 [0,1,0,0,0,0|2,1,0]=4 53 B13R1.27 COCCCNCc1ccc(s1)Br AIFCHEM-94598889582 [0,1,0,0,0,0|2,1,0]=4 54 B13R1.27 CSCCCNCc1cc(cs1)Br AIFCHEM-94546183202 [0,1,0,0,0,0|2,1,0]=4 55 B13R1.27 CSCCCNCc1cc(cs1)O AIFCHEM-94529053463 [0,1,0,0,0,0|2,1,0]=4 56 B13R1.27 CSCCCNCc1ccc(o1)Cl AIFCHEM-94529052871 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.27 CSCCCNCc1ccc(s1)C AIFCHEM-94529051613 [0,1,0,0,0,0|2,1,0]=4 58 B13R1.27 CSCCCNCc1cnc(o1)C AIFCHEM-94529056503 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.27 OCCCCNCc1cc(cs1)Br AIFCHEM-6505444275 [0,1,0,0,0,0|2,1,0]=4 60 B13R1.27 OCCCCNCc1cc(cs1)Cl AIFCHEM-6501317608 [0,1,0,0,0,0|2,1,0]=4 61 B13R1.27 OCCCCNCc1cc(cs1)O AIFCHEM-94571791439 [0,1,0,0,0,0|2,1,0]=4 62 B13R1.48 CC(NCCCCO)c1ncco1 AIFCHEM-6502720615 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.48 CCCCCNC(=O)c1ccc[nH]1 AIFCHEM-94552831413 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.48 CCCCCNC(C)c1ccsc1 AIFCHEM-94551424347 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.48 CCCCCNC(C)c1ncco1 AIFCHEM-94522655430 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.48 CSCCCNC(C)c1cccs1 AIFCHEM-94546185028 [0,1,0,0,0,0|2,1,0]=4 67 B13R1.48 CSCCCN[C@@H](C)c1cccs1 AIFCHEM-94546180866 [0,1,0,0,0,0|2,1,0]=4 68 B13R1.48 CSCCCN[C@H](C)c1cccs1 AIFCHEM-94546179791 [0,1,0,0,0,0|2,1,0]=4 69 B13R1.119 CCCCCCC=Cc1ccns1 AIFCHEM-6392389953 [0,1,0,0,0,0|1,1,1]=4 70 B13R1.119 CCCCCCC=Cc1ccsc1 AIFCHEM-6321060045 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.119 CCCCCCC=Cc1ccsn1 AIFCHEM-94560464870 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.119 CCCCCCC=Cc1cscn1 AIFCHEM-6319868998 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.119 CCCCCCC=Cc1ncc[nH]1 AIFCHEM-94560459211 [0,1,0,0,0,0|2,0,1]=4 74 B13R1.119 CCCCCCCNc1ccsc1 AIFCHEM-94572615244 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.119 CCCCCCCNc1cnoc1 AIFCHEM-94589449528 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.119 CCCCCCNCc1cc[nH]n1 AIFCHEM-94524668090 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.119 CCCCCCNCc1ccoc1 AIFCHEM-6100866155 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.119 CCCCCCNCc1cnco1 AIFCHEM-94571761844 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.119 CCCCCCNCc1cscn1 AIFCHEM-94571764591 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.119 CCCCCNCCc1cn[nH]c1 AIFCHEM-94527760318 [0,1,0,0,0,0|3,0,0]=4 81 B13R1.119 CCCCCNCCn1cccc1 AIFCHEM-94551431395 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.119 CCOCCCNCc1cnco1 AIFCHEM-6253617564 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.119 CSCCCNCCc1cncs1 AIFCHEM-94546187815 [0,1,0,0,0,0|2,1,0]=4 84 B13R1.119 OCCCCCNCc1cccs1 AIFCHEM-94562638518 [0,1,0,0,0,0|1,1,0]=3 85 B13R1.119 OCCCCCNCc1cncs1 AIFCHEM-6503426207 [0,1,0,0,0,0|2,1,0]=4 86 B13R1.153 CC(CCCO)NCc1cnco1 AIFCHEM-94575405246 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.153 CCCCC(=O)NCc1cccs1 AIFCHEM-94534109467 [0,1,0,0,0,0|1,1,1]=4 88 B13R1.153 CCCCC(C)NCc1ccco1 AIFCHEM-94541402555 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.153 CCCCC(C)NCc1ccon1 AIFCHEM-94541391913 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.153 CCCCC(C)NCc1cocn1 AIFCHEM-94553455613 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.153 CCCCC(C)NCc1cscn1 AIFCHEM-94520138964 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.153 CCCC[C@@H](C)NCc1ccco1 AIFCHEM-94540090136 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.153 CCCC[C@@H](C)NCc1cocn1 AIFCHEM-94596948774 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.153 CCCC[C@@H](C)NCc1cscn1 AIFCHEM-94596951522 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.153 COCCC(=O)NCc1ccco1 AIFCHEM-94557356038 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.153 CSCCC(=O)NCc1ccco1 AIFCHEM-94557358980 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.153 CSCCC(C)NCc1ccno1 AIFCHEM-5970617321 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.153 CSCCC(C)NCc1ncco1 AIFCHEM-5975646716 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.153 C[C@@H](CCCO)NCc1cnco1 AIFCHEM-6389542845 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.153 C[C@H](CCCO)NCc1cnco1 AIFCHEM-6458655412 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.156 CCCCCN(C)Cc1ccco1 AIFCHEM-94537394947 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.156 CN(CCCCO)Cc1cnco1 AIFCHEM-6484926505 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.156 CN(CCCCO)Cc1ncco1 AIFCHEM-6473791178 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.156 CSCCCN(C)Cc1cccs1 AIFCHEM-94546186931 [0,1,0,0,0,0|2,1,0]=4 105 B13R1.343 CC(C)CCCNCc1cc[nH]n1 AIFCHEM-94524655780 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.343 CC(C)CCCNCc1ccco1 AIFCHEM-94540078145 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.343 CC(C)CCCNCc1cccs1 AIFCHEM-5737948298 [0,1,0,0,0,0|1,1,0]=3 108 B13R1.343 CC(C)CCCNCc1cncs1 AIFCHEM-5694721586 [0,1,0,0,0,0|2,1,0]=4 109 B13R1.343 CC(C)CCCNCc1cocn1 AIFCHEM-5746575706 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.343 CC(C)CCCNCc1ncco1 AIFCHEM-5726627697 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.343 NC(=O)CCCNCc1ccco1 AIFCHEM-94540079858 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.404 CCCC(C)NCCc1nccs1 AIFCHEM-94606114019 [0,1,0,0,0,0|2,1,0]=4 113 B13R1.404 CCCC(C)NCCn1cccc1 AIFCHEM-94606116603 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.404 CCOC(=O)CNCc1ccco1 AIFCHEM-94540089204 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.404 COCC(O)CNCc1ccco1 AIFCHEM-94540092811 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.536 CCC(C)CNCCc1cncs1 AIFCHEM-6231727626 [0,1,0,0,0,0|2,1,0]=4 117 B13R1.536 CCC(C)CNCCn1cccc1 AIFCHEM-5880739847 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.654 CCCCCNCc1ccsc1Br AIFCHEM-94522651929 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.654 CCCCCNCc1n[nH]cc1Cl AIFCHEM-94522654742 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.654 CCCCCNCc1ncsc1Br AIFCHEM-94552823817 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.654 CCCCCNCc1sccc1Cl AIFCHEM-94552822584 [0,1,0,0,0,0|1,1,0]=3 122 B13R1.654 CCCCCNCc1scnc1C AIFCHEM-94522655571 [0,1,0,0,0,0|2,1,0]=4 123 B13R1.654 CCSCCNCc1sccc1C AIFCHEM-94566118761 [0,1,0,0,0,0|2,1,0]=4 124 B13R1.654 CSCCCNCc1occc1Br AIFCHEM-94529051894 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.29 CC1CCCN1Cc2ccco2 AIFCHEM-94540088284 [0,0,0,1,0,0|1,0,0]=2 126 B13R2.29 CC1CCCN1Cc2cccs2 AIFCHEM-94592638833 [0,0,0,1,0,0|1,1,0]=3 127 B13R2.29 CC1CCCN1Cc2cncs2 AIFCHEM-5780134534 [0,0,0,1,0,0|2,1,0]=4 128 B13R2.29 CC1CCCN1Cc2ncco2 AIFCHEM-94592637354 [0,0,0,1,0,0|2,0,0]=3 129 B13R2.29 C[C@@H]1CCCN1Cc2ccco2 AIFCHEM-94540087006 [0,0,0,1,0,0|1,0,0]=2 130 B13R2.29 C[C@@H]1CCCN1Cc2cccs2 AIFCHEM-6051541296 [0,0,0,1,0,0|1,1,0]=3 131 B13R2.29 C[C@@H]1CCCN1Cc2cncs2 AIFCHEM-6077834104 [0,0,0,1,0,0|2,1,0]=4 132 B13R2.29 C[C@@H]1CCCN1Cc2ncco2 AIFCHEM-6065720356 [0,0,0,1,0,0|2,0,0]=3 133 B13R2.29 C[C@H]1CCCN1Cc2ccco2 AIFCHEM-94540082346 [0,0,0,1,0,0|1,0,0]=2 134 B13R2.29 C[C@H]1CCCN1Cc2cccs2 AIFCHEM-94569867522 [0,0,0,1,0,0|1,1,0]=3 135 B13R2.29 C[C@H]1CCCN1Cc2cncs2 AIFCHEM-5642250338 [0,0,0,1,0,0|2,1,0]=4 136 B13R2.29 C[C@H]1CCCN1Cc2ncco2 AIFCHEM-5650101525 [0,0,0,1,0,0|2,0,0]=3 137 B13R2.62 OC[C@@H]1CCN1Cc2ccc[nH]2 AIFCHEM-94537998762 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.62 OC[C@H]1CCN1Cc2ccc[nH]2 AIFCHEM-94554353898 [0,0,0,1,0,0|3,0,0]=4 139 B13R2.64 c1coc(c1)CN2CCSCC2 AIFCHEM-94540088884 [0,0,0,1,0,0|2,0,0]=3 140 B13R2.64 c1csc(c1)CN2CCCOC2 AIFCHEM-5715851001 [0,0,0,1,0,0|2,1,0]=4 141 B13R2.158 O[C@@H]1CC[C@H]1NCc2ccco2 AIFCHEM-94540081818 [0,0,0,1,0,0|2,0,0]=3 142 B13R2.183 c1c[nH]c(n1)CNC2CCCC2 AIFCHEM-94542372832 [0,0,0,1,0,0|3,0,0]=4 143 B13R2.183 c1coc(c1)CNC2CCSC2 AIFCHEM-94594823905 [0,0,0,1,0,0|2,0,0]=3 144 B13R2.183 c1coc(n1)CNC2CCOC2 AIFCHEM-5928160750 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.183 c1coc(n1)CN[C@@H]2CCOC2 AIFCHEM-5799557228 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.183 c1coc(n1)CN[C@H]2CCOC2 AIFCHEM-94585471010 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.183 c1csc(c1)CNC2CCCC2 AIFCHEM-94541529092 [0,0,0,1,0,0|1,1,0]=3 148 B13R2.183 c1csc(n1)NCC2CCCC2 AIFCHEM-94590870542 [0,0,0,1,0,0|2,1,0]=4 149 B13R2.196 C[C@@H]1C[C@H]1CNCc2ccsc2 AIFCHEM-94599417534 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.196 C[C@@H]1C[C@H]1CNCc2ncc[nH]2 AIFCHEM-94599413416 [0,0,0,1,0,0|3,0,0]=4 151 B13R2.2380 c1cc(co1)CNCCC2CC2 AIFCHEM-5745713300 [0,0,0,1,0,0|3,0,0]=4 152 B13R2.2380 c1ccn(c1)CCNCC2CC2 AIFCHEM-5829805748 [0,0,0,1,0,0|3,0,0]=4 153 B13R2.2380 c1coc(n1)CNCCC2CC2 AIFCHEM-5772348426 [0,0,0,1,0,0|2,0,0]=3 154 B13R2.2380 c1csc(c1)CNCCC2CC2 AIFCHEM-5763792559 [0,0,0,1,0,0|1,1,0]=3 155 B13R2.2381 c1cnn(c1)CCNC2CCC2 AIFCHEM-94576043618 [0,0,0,1,0,0|3,0,0]=4 156 B13R2.2381 c1coc(c1)CNCC2CCO2 AIFCHEM-94540091995 [0,0,0,1,0,0|2,0,0]=3 157 B13R2.2381 c1coc(c1)CNC[C@@H]2CCO2 AIFCHEM-94540083697 [0,0,0,1,0,0|2,0,0]=3 158 B13R2.2381 c1coc(c1)CNC[C@H]2CCO2 AIFCHEM-94540083693 [0,0,0,1,0,0|2,0,0]=3 159 B13R2.2381 c1csc(c1)CNCC2CCC2 AIFCHEM-94536868298 [0,0,0,1,0,0|1,1,0]=3 160 B13R1.28 CCCCCC=Cc1ccncn1 AIFCHEM-6306678936 [0,0,0,0,0,1|1,0,2]=4 161 B13R1.28 CCCCCNCc1ccccn1 AIFCHEM-94552817785 [0,0,0,0,0,1|2,0,0]=3 162 B13R1.28 CCCNCCCc1ccccc1 AIFCHEM-5790560469 [0,0,0,0,0,1|2,0,0]=3 163 B13R1.28 CCCNCCOc1ccccn1 AIFCHEM-94569016929 [0,0,0,0,0,1|3,0,0]=4 164 B13R1.28 CCNCCCCc1ccccc1 AIFCHEM-94537420007 [0,0,0,0,0,1|2,0,0]=3 165 B13R1.28 CCOCCNCc1cccnc1 AIFCHEM-94548606577 [0,0,0,0,0,1|3,0,0]=4 166 B13R1.28 CCOCCNCc1ccncc1 AIFCHEM-94548608443 [0,0,0,0,0,1|3,0,0]=4 167 B13R1.28 COCCCNCc1cccnn1 AIFCHEM-5624702599 [0,0,0,0,0,1|3,0,0]=4 168 B13R1.28 COCCCNCc1ccncc1 AIFCHEM-5644055785 [0,0,0,0,0,1|3,0,0]=4 169 B13R1.28 CSCCCNCc1ccccn1 AIFCHEM-94529050792 [0,0,0,0,0,1|3,0,0]=4 170 B13R1.28 OCCCCCNc1ccncc1 AIFCHEM-94533892282 [0,0,0,0,0,1|3,0,0]=4 171 B13R1.28 OCCCCNCc1cccnn1 AIFCHEM-6505393936 [0,0,0,0,0,1|3,0,0]=4 172 B13R1.28 OCCCCNCc1cnccn1 AIFCHEM-6502345192 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [2,0,0,0,0,0|2,0,0]=4 176 B12R1.7 CCCCNCc1cc(cs1)Br AIFCHEM-94574576030 [1,1,0,0,0,0|1,1,0]=4 177 B12R1.7 CCCCNCc1cc(cs1)O AIFCHEM-94570972469 [1,1,0,0,0,0|1,1,0]=4 178 B12R1.7 CCCCNCc1ccc(o1)Cl AIFCHEM-94570971877 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.7 CCCCNCc1ccc(o1)I AIFCHEM-94570972324 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.7 CCCCNCc1ccc(s1)Br AIFCHEM-5693306515 [1,1,0,0,0,0|1,1,0]=4 181 B12R1.7 CCCCNCc1ccc(s1)C AIFCHEM-5736265191 [1,1,0,0,0,0|1,1,0]=4 182 B12R1.7 CCCCNCc1cnc(o1)C AIFCHEM-94570975509 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.7 CSCCNCc1ccc(o1)I AIFCHEM-94598921399 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.7 OCCCNCc1cc(co1)Br AIFCHEM-6421061554 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.7 OCCCNCc1ccc(o1)Cl AIFCHEM-94523162620 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.7 OCCCNCc1ccc(o1)I AIFCHEM-94523163067 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.51 CC(CCO)NCc1ccco1 AIFCHEM-94540085290 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.51 CCCC(C)NCc1ccco1 AIFCHEM-94557345122 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.51 CCCC(C)NCc1ncco1 AIFCHEM-94606108439 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.51 CCC[C@@H](C)NCc1ccco1 AIFCHEM-94540076933 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.51 CCC[C@@H](C)NCc1ncco1 AIFCHEM-6031908931 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.51 CCC[C@H](C)NCc1ccco1 AIFCHEM-94540083968 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.51 CCC[C@H](C)NCc1ncco1 AIFCHEM-5638056710 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.51 COCC(C)NCc1ccco1 AIFCHEM-94540086418 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.51 COC[C@@H](C)NCc1ccco1 AIFCHEM-94540093327 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.51 COC[C@H](C)NCc1ccco1 AIFCHEM-94540078169 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.51 C[C@@H](CCO)NCc1ccco1 AIFCHEM-94540089100 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.51 C[C@H](CCO)NCc1ccco1 AIFCHEM-94540089101 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.53 CCCCN(C)Cc1cccs1 AIFCHEM-94523041299 [1,1,0,0,0,0|1,1,0]=4 200 B12R1.53 CSCCN(C)Cc1ccco1 AIFCHEM-94540093248 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.255 CC(O)CCNCc1cccs1 AIFCHEM-94577738490 [1,1,0,0,0,0|1,1,0]=4 202 B12R1.255 C[C@H](O)CCNCc1cccs1 AIFCHEM-94544716756 [1,1,0,0,0,0|1,1,0]=4 203 B12R1.372 CCCCNCc1occc1Br AIFCHEM-94570970900 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.372 CCCCNCc1sccc1Br AIFCHEM-94523029842 [1,1,0,0,0,0|1,1,0]=4 205 B12R1.372 CCCCNCc1sccc1C AIFCHEM-94570974077 [1,1,0,0,0,0|1,1,0]=4 206 B12R1.477 CC(CO)CNCc1ccco1 AIFCHEM-94540081585 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.477 CCC(O)CNCc1cccs1 AIFCHEM-6456829418 [1,1,0,0,0,0|1,1,0]=4 208 B12R1.477 CC[C@@H](O)CNCc1cccs1 AIFCHEM-6416951945 [1,1,0,0,0,0|1,1,0]=4 209 B12R1.477 OCC(O)CNCc1ccco1 AIFCHEM-94594828484 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.477 OC[C@@H](F)CNCc1ccco1 AIFCHEM-94540086049 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.477 OC[C@@H](O)CNCc1ccco1 AIFCHEM-94594827927 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.477 OC[C@H](F)CNCc1ccco1 AIFCHEM-94540086048 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.477 OC[C@H](O)CNCc1ccco1 AIFCHEM-94540089711 [1,1,0,0,0,0|2,0,0]=4 214 B14R1.14 CCCCCNCc1ccc(cn1)Br AIFCHEM-94551425291 [0,1,0,0,0,1|2,0,0]=4 215 B14R1.14 CCCCCNCc1ccc(cn1)F AIFCHEM-94522653008 [0,1,0,0,0,1|2,0,0]=4 216 B14R1.14 CCCCCNCc1ccc(nc1)Br AIFCHEM-94552818923 [0,1,0,0,0,1|2,0,0]=4 217 B14R1.14 CCCCNCCc1ccc(cc1)Br AIFCHEM-94570972343 [0,1,0,0,0,1|2,0,0]=4 218 B14R1.14 CCCNCCCc1ccc(cc1)Cl AIFCHEM-94579099983 [0,1,0,0,0,1|2,0,0]=4 219 B14R1.26 CCCCCNCc1cc(ccn1)C AIFCHEM-94552821744 [0,1,0,0,0,1|2,0,0]=4 220 B14R1.26 CCCCCNCc1cccc(c1)F AIFCHEM-94604820529 [0,1,0,0,0,1|2,0,0]=4 221 B14R1.26 CCCCCNCc1ccnc(c1)F AIFCHEM-94551437602 [0,1,0,0,0,1|2,0,0]=4 222 B14R1.26 CCCCCNCc1cncc(c1)Br AIFCHEM-94551422729 [0,1,0,0,0,1|2,0,0]=4 223 B14R1.26 CCCCCNCc1cncc(c1)C AIFCHEM-94551427117 [0,1,0,0,0,1|2,0,0]=4 224 B14R1.26 CCCCCNCc1cncc(c1)O AIFCHEM-94552817594 [0,1,0,0,0,1|2,0,0]=4 225 B14R1.26 CCCNCCCc1cccc(c1)Cl AIFCHEM-94569014443 [0,1,0,0,0,1|2,0,0]=4 226 B14R1.38 CCCCCNC(C)c1ccccc1 AIFCHEM-94552823963 [0,1,0,0,0,1|2,0,0]=4 227 B14R1.123 CCCCCCC=Cc1ccccn1 AIFCHEM-94560464166 [0,1,0,0,0,1|1,0,1]=4 228 B14R1.123 CCCCCCC=Cc1cccnn1 AIFCHEM-94560468132 [0,1,0,0,0,1|1,0,1]=4 229 B14R1.123 CCCCCCC=Cc1ccncc1 AIFCHEM-6325591789 [0,1,0,0,0,1|1,0,1]=4 230 B14R1.123 CCCCCCC=Cc1ncccn1 AIFCHEM-94560463901 [0,1,0,0,0,1|1,0,1]=4 231 B14R1.123 CCCCCCCNc1cccnc1 AIFCHEM-94589459353 [0,1,0,0,0,1|1,0,0]=3 232 B14R1.123 CCCCNCCOc1cccnc1 AIFCHEM-94523036361 [0,1,0,0,0,1|2,0,0]=4 233 B14R1.123 CCCNCCCCc1ccccc1 AIFCHEM-94569017090 [0,1,0,0,0,1|1,0,0]=3 234 B14R1.123 CCCNCCCOc1ccccc1 AIFCHEM-94569022273 [0,1,0,0,0,1|2,0,0]=4 235 B14R1.123 CCOCCCNCc1ccccn1 AIFCHEM-6281169622 [0,1,0,0,0,1|2,0,0]=4 236 B14R1.123 CSCCNCCCc1ccccc1 AIFCHEM-94598918608 [0,1,0,0,0,1|2,0,0]=4 237 B14R1.123 OCCCCCNCc1cccnn1 AIFCHEM-6490724856 [0,1,0,0,0,1|2,0,0]=4 238 B14R1.123 OCCCCCNCc1ccncc1 AIFCHEM-6490597024 [0,1,0,0,0,1|2,0,0]=4 239 B14R1.123 OCCCCCNCc1ncccn1 AIFCHEM-6490620781 [0,1,0,0,0,1|2,0,0]=4 240 B14R1.156 CCCCC(C)NCc1ccncn1 AIFCHEM-94541400792 [0,1,0,0,0,1|2,0,0]=4 241 B14R1.156 CCCCC(C)NCc1cnccn1 AIFCHEM-94604416991 [0,1,0,0,0,1|2,0,0]=4 242 B14R1.156 CCCC[C@@H](C)NCc1ccncn1 AIFCHEM-94596950928 [0,1,0,0,0,1|2,0,0]=4 243 B14R1.156 CCCC[C@@H](C)NCc1cnccn1 AIFCHEM-94596952827 [0,1,0,0,0,1|2,0,0]=4 244 B14R1.422 CC(C)CCCNCc1cccnc1 AIFCHEM-5727447244 [0,1,0,0,0,1|2,0,0]=4 245 B14R1.422 CC(C)CCCNCc1ccncn1 AIFCHEM-5727276473 [0,1,0,0,0,1|2,0,0]=4 246 B14R1.422 CC(C)CCCNCc1ncccn1 AIFCHEM-5752601295 [0,1,0,0,0,1|2,0,0]=4 247 B14R1.422 CC(C)CNCCCc1cccnc1 AIFCHEM-94572980737 [0,1,0,0,0,1|2,0,0]=4 248 B14R1.882 CCCCCNCc1ccccc1C AIFCHEM-94552821690 [0,1,0,0,0,1|2,0,0]=4 249 B14R1.882 CCCCCNCc1ccccc1Cl AIFCHEM-94551430287 [0,1,0,0,0,1|2,0,0]=4 250 B14R1.882 CCCCCNCc1ccccc1I AIFCHEM-94551433061 [0,1,0,0,0,1|2,0,0]=4 251 B14R1.882 CCCCCNCc1ccccc1O AIFCHEM-94532469033 [0,1,0,0,0,1|2,0,0]=4 252 B14R1.882 CCCCCNCc1ccncc1C AIFCHEM-94522655346 [0,1,0,0,0,1|2,0,0]=4 253 B14R1.882 CCCCCNCc1ccncc1O AIFCHEM-94522651913 [0,1,0,0,0,1|2,0,0]=4 254 B14R1.882 CCCCCNCc1cnccc1Br AIFCHEM-94522650297 [0,1,0,0,0,1|2,0,0]=4 255 B14R1.882 CCCCCNCc1cnccc1C AIFCHEM-94552821586 [0,1,0,0,0,1|2,0,0]=4 256 B14R1.122 CCCCCCC=Cc1cc(cs1)C AIFCHEM-94560464532 [0,2,0,0,0,0|0,1,1]=4 257 B14R1.122 CCCCCCC=Cc1ccc(s1)C AIFCHEM-6321354737 [0,2,0,0,0,0|0,1,1]=4 258 B14R1.122 CCCCCCCNc1cc(n[nH]1)Br AIFCHEM-94589450645 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.122 CCCCCCCNc1ncc(s1)C AIFCHEM-94589462362 [0,2,0,0,0,0|1,1,0]=4 260 B14R1.122 CCCCCCNCc1cc(cs1)O AIFCHEM-94571801815 [0,2,0,0,0,0|0,1,0]=3 261 B14R1.122 CCCCCCNCc1cc(on1)C AIFCHEM-6121839224 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.122 CCCCCCNCc1ccc(o1)Br AIFCHEM-94575433686 [0,2,0,0,0,0|0,0,0]=2 263 B14R1.122 CCCCCCNCc1ccc(o1)I AIFCHEM-94575434446 [0,2,0,0,0,0|0,0,0]=2 264 B14R1.122 CCCCCCNCc1ccc(s1)Br AIFCHEM-94575435551 [0,2,0,0,0,0|0,1,0]=3 265 B14R1.122 CCCCCCNCc1ccn(c1)C AIFCHEM-6100923666 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.122 CCCCCCNCc1cnc([nH]1)C AIFCHEM-6128734839 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.122 CCCCCCNCc1cnc(s1)C AIFCHEM-94571761208 [0,2,0,0,0,0|1,1,0]=4 268 B14R1.122 CCCCCCNCc1csc(n1)C AIFCHEM-94571763671 [0,2,0,0,0,0|2,0,0]=4 269 B14R1.122 CCCCCCNCc1nc(cs1)Br AIFCHEM-6100448743 [0,2,0,0,0,0|1,1,0]=4 270 B14R1.122 CCCCCCNCc1nc(cs1)C AIFCHEM-6103050901 [0,2,0,0,0,0|1,1,0]=4 271 B14R1.122 CCCCCCNCc1ncc(s1)Br AIFCHEM-94571767680 [0,2,0,0,0,0|1,1,0]=4 272 B14R1.122 CCCCCCNCc1ncc(s1)C AIFCHEM-6102564158 [0,2,0,0,0,0|1,1,0]=4 273 B14R1.122 CCCCNCCCn1cc(cn1)Br AIFCHEM-94523031763 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.122 CCCNCCSCc1ccc(s1)Br AIFCHEM-94569023074 [0,2,0,0,0,0|1,1,0]=4 275 B14R1.122 CCOCCCNCc1cc(cs1)C AIFCHEM-6253310713 [0,2,0,0,0,0|1,1,0]=4 276 B14R1.122 CCOCCCNCc1cc(cs1)O AIFCHEM-94571800670 [0,2,0,0,0,0|1,1,0]=4 277 B14R1.122 CCOCCCNCc1ccc(s1)Br AIFCHEM-6281205510 [0,2,0,0,0,0|1,1,0]=4 278 B14R1.122 CCOCCCNCc1ccc(s1)C AIFCHEM-6273816947 [0,2,0,0,0,0|1,1,0]=4 279 B14R1.122 Cc1ccc(o1)CNCCCCCO AIFCHEM-5621816455 [0,2,0,0,0,0|1,0,0]=3 280 B14R1.122 Cc1ccc(o1)CNCCOCCO AIFCHEM-5621896040 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.122 N#CCCCCNCc1ccc(o1)I AIFCHEM-94558539740 [0,2,0,0,0,0|1,0,1]=4 282 B14R1.122 OCCCCCNCc1cc(cs1)O AIFCHEM-94571796099 [0,2,0,0,0,0|1,1,0]=4 283 B14R1.122 OCCCCCNCc1ccc(s1)Br AIFCHEM-6261250503 [0,2,0,0,0,0|1,1,0]=4 284 B14R1.122 OCCCCCNCc1ccc(s1)Cl AIFCHEM-6507586742 [0,2,0,0,0,0|1,1,0]=4 285 B14R1.122 OCCSCCNCc1cc(co1)Br AIFCHEM-6445225528 [0,2,0,0,0,0|2,0,0]=4 286 B14R1.128 CC(C)CCCNCc1cc(cs1)Cl AIFCHEM-5698224988 [0,2,0,0,0,0|1,1,0]=4 287 B14R1.128 CC(C)CCCNCc1cc(cs1)O AIFCHEM-94571789505 [0,2,0,0,0,0|1,1,0]=4 288 B14R1.128 CC(C)OCCNCc1ccc(o1)Br AIFCHEM-6253258524 [0,2,0,0,0,0|2,0,0]=4 289 B14R1.128 CN(C)CCCNCc1cc(co1)Br AIFCHEM-5784936610 [0,2,0,0,0,0|2,0,0]=4 290 B14R1.128 Cc1csc(c1)CNCCCC(C)C AIFCHEM-5698747112 [0,2,0,0,0,0|1,1,0]=4 291 B14R1.155 CC(CCCO)NCc1ccc(o1)Cl AIFCHEM-94575407133 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.155 CC(CCCO)NCc1ccc(o1)I AIFCHEM-94575407580 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.155 CCCCC(C)NCc1cc(cs1)Br AIFCHEM-94541400946 [0,2,0,0,0,0|1,1,0]=4 294 B14R1.155 CCCCC(C)NCc1ccc(o1)Br AIFCHEM-94541396051 [0,2,0,0,0,0|1,0,0]=3 295 B14R1.155 CCCC[C@@H](C)NCc1cc(cs1)Br AIFCHEM-94596950311 [0,2,0,0,0,0|1,1,0]=4 296 B14R1.155 CCCC[C@@H](C)NCc1cc(cs1)Cl AIFCHEM-94596952802 [0,2,0,0,0,0|1,1,0]=4 297 B14R1.155 CCCC[C@@H](C)NCc1cc(cs1)O AIFCHEM-94571801496 [0,2,0,0,0,0|1,1,0]=4 298 B14R1.155 CCCC[C@@H](C)NCc1ccc(o1)Br AIFCHEM-94596950349 [0,2,0,0,0,0|1,0,0]=3 299 B14R1.155 CCCC[C@@H](C)NCc1cnc(o1)C AIFCHEM-94596954294 [0,2,0,0,0,0|2,0,0]=4 300 B14R1.155 C[C@@H](CCCO)NCc1ccc(o1)Cl AIFCHEM-6431900580 [0,2,0,0,0,0|2,0,0]=4 301 B14R1.155 C[C@@H](CCCO)NCc1ccc(o1)I AIFCHEM-6411300454 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.155 C[C@H](CCCO)NCc1ccc(o1)Cl AIFCHEM-6390340847 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.155 C[C@H](CCCO)NCc1ccc(o1)I AIFCHEM-6390033951 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.157 CCCCCN(C)Cc1cc(cs1)O AIFCHEM-94571796159 [0,2,0,0,0,0|1,1,0]=4 305 B14R1.157 CCCCCN(C)Cc1cc(no1)Br AIFCHEM-6095632320 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.157 CCCCCN(C)Cc1ccc(o1)Cl AIFCHEM-6170095972 [0,2,0,0,0,0|1,0,0]=3 307 B14R1.157 CCCCCN(C)Cc1cnc(o1)C AIFCHEM-6102668759 [0,2,0,0,0,0|2,0,0]=4 308 B14R1.519 COCC(O)CNCc1cc(co1)Br AIFCHEM-6388016238 [0,2,0,0,0,0|2,0,0]=4 309 B14R1.519 COCC(O)CNCc1ccc(o1)C AIFCHEM-6447673130 [0,2,0,0,0,0|2,0,0]=4 310 B14R1.3126 CCCCCNCc1sc(cc1Br)C AIFCHEM-94552820907 [0,2,0,0,0,0|1,1,0]=4 311 B14R1.3127 CSCCCNCc1cc(c(o1)C)C AIFCHEM-94529054669 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.3454 CCCCCNCc1cc(cs1)OC AIFCHEM-94552823965 [0,2,0,0,0,0|1,1,0]=4 313 B14R1.3454 CCCCCNCc1ccc(o1)C#N AIFCHEM-94522653679 [0,2,0,0,0,0|1,0,0]=3 314 B14R1.3454 COCCCNCc1ccc(o1)CO AIFCHEM-94598890730 [0,2,0,0,0,0|2,0,0]=4 315 B14R1.3454 CSCCCNCc1ccc(o1)C#N AIFCHEM-94529054250 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.3454 N#Cc1ccc(o1)CNCCCCO AIFCHEM-6501670403 [0,2,0,0,0,0|2,0,0]=4 317 B14R1.137 CCCCC(C)NC(C)c1cccs1 AIFCHEM-94541395670 [0,2,0,0,0,0|1,1,0]=4 318 B14R1.137 CCCCC(C)N[C@@H](C)c1cccs1 AIFCHEM-94541398610 [0,2,0,0,0,0|1,1,0]=4 319 B14R1.137 CCCCC(C)N[C@H](C)c1cccs1 AIFCHEM-94541397535 [0,2,0,0,0,0|1,1,0]=4 320 B14R1.169 CC(NCCCCC#N)c1ccco1 AIFCHEM-94558537423 [0,2,0,0,0,0|1,0,1]=4 321 B14R1.169 CCCCCCCN(C)c1ccsc1 AIFCHEM-94589456970 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.169 CCCCCCNC(C)c1cocn1 AIFCHEM-94571767175 [0,2,0,0,0,0|2,0,0]=4 323 B14R1.418 CC(C)CCCNC(C)c1ccco1 AIFCHEM-5698452118 [0,2,0,0,0,0|1,0,0]=3 324 B14R1.40 CCCCCCCC=Cc1cccs1 AIFCHEM-6416123312 [0,2,0,0,0,0|0,1,0]=3 325 B14R1.40 CCCCCCCC=Cc1ccsc1 AIFCHEM-6432347880 [0,2,0,0,0,0|2,0,0]=4 326 B14R1.40 CCCCCCCC=Cc1cncs1 AIFCHEM-6289438184 [0,2,0,0,0,0|1,1,0]=4 327 B14R1.40 CCCCCCCC=Cc1nccs1 AIFCHEM-6313650381 [0,2,0,0,0,0|1,1,0]=4 328 B14R1.40 CCCCCCCCNc1ccn[nH]1 AIFCHEM-5951362903 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.40 CCCCCCCCNc1cncs1 AIFCHEM-5590673057 [0,2,0,0,0,0|1,1,0]=4 330 B14R1.40 CCCCCCCNCc1ccon1 AIFCHEM-94589450427 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.40 CCCCCCCNCc1cnco1 AIFCHEM-94589452417 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.40 CCCCCCCNCc1cocn1 AIFCHEM-94589449448 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.40 CCCNCCCSCc1ccco1 AIFCHEM-94569008974 [0,2,0,0,0,0|0,0,0]=2 334 B14R1.40 N#CCCCCCNCc1ccco1 AIFCHEM-94540084599 [0,2,0,0,0,0|0,0,1]=3 335 B14R1.40 OCCCCCCNCc1ccco1 AIFCHEM-94540086865 [0,2,0,0,0,0|0,0,0]=2 336 B14R1.40 OCCCCCCNCc1cccs1 AIFCHEM-6499824235 [0,2,0,0,0,0|0,1,0]=3 337 B14R1.40 OCCOCCCNCc1cccs1 AIFCHEM-6389323603 [0,2,0,0,0,0|1,1,0]=4 338 B14R1.86 CCCCCC(=O)NCc1cnco1 AIFCHEM-94607331935 [0,2,0,0,0,0|1,0,1]=4 339 B14R1.86 CCCCNC(=O)CCc1cccs1 AIFCHEM-94570983121 [0,2,0,0,0,0|0,1,1]=4 340 B14R1.92 CCCCCCN(C)Cc1cnco1 AIFCHEM-6075045215 [0,2,0,0,0,0|1,0,0]=3 341 B14R1.92 CCCCCCN(C)Cc1cncs1 AIFCHEM-6058170372 [0,2,0,0,0,0|1,1,0]=4 342 B14R1.92 CN(CCOCCO)Cc1ccco1 AIFCHEM-94540091553 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.92 COCCCNC(=O)Cc1ccco1 AIFCHEM-94598896930 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.177 CC(CSCc1ccco1)NCCF AIFCHEM-5861665113 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.177 CCCNC(=O)CCCc1cccs1 AIFCHEM-94521378475 [0,2,0,0,0,0|0,1,1]=4 346 B14R1.177 CCCOC(=O)CNCc1ccco1 AIFCHEM-94602835896 [0,2,0,0,0,0|1,0,1]=4 347 B14R1.216 CCCCCCC=Cc1sccc1C AIFCHEM-6323966535 [0,2,0,0,0,0|0,1,1]=4 348 B14R1.216 CCCCCCNCc1ccsc1Br AIFCHEM-94571763360 [0,2,0,0,0,0|2,0,0]=4 349 B14R1.216 CCCCCCNCc1cscc1Br AIFCHEM-6121694360 [0,2,0,0,0,0|2,0,0]=4 350 B14R1.216 CCCCCCNCc1nc[nH]c1Br AIFCHEM-94575435702 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.216 CCCCCCNCc1nc[nH]c1C AIFCHEM-94575436759 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.216 CCCCCCNCc1sccc1Cl AIFCHEM-6100699781 [0,2,0,0,0,0|0,1,0]=3 353 B14R1.216 Cc1ccsc1CNCCCCCO AIFCHEM-6503836503 [0,2,0,0,0,0|1,1,0]=4 354 B14R1.216 OCCCCCNCc1occc1Br AIFCHEM-6504741621 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.216 OCCCCCNCc1sccc1Cl AIFCHEM-6490956767 [0,2,0,0,0,0|1,1,0]=4 356 B14R1.427 CN(C)CCCCNCc1ccco1 AIFCHEM-94540086182 [0,2,0,0,0,0|1,0,0]=3 357 B14R1.427 CN(C)CCCCNCc1ncco1 AIFCHEM-5704371228 [0,2,0,0,0,0|2,0,0]=4 358 B14R1.427 O=C(O)CCCCNCc1ccco1 AIFCHEM-94540084005 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.609 CCOC(=O)CCNCc1ccco1 AIFCHEM-94540087097 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.588 CCC(C)CC(=O)NCc1ccco1 AIFCHEM-94594830901 [0,2,0,0,0,0|1,0,1]=4 361 B14R1.588 CC[C@H](C)CC(=O)NCc1ccco1 AIFCHEM-94557354430 [0,2,0,0,0,0|1,0,1]=4 362 B14R1.4526 CC(C)CCC(C)NCc1ccco1 AIFCHEM-94561177339 [0,2,0,0,0,0|1,0,0]=3 363 B14R1.621 COCC(C)NC(C)Cc1ccco1 AIFCHEM-94591157125 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.621 COC[C@@H](C)NC(C)Cc1ccco1 AIFCHEM-94591159969 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.621 COC[C@H](C)NC(C)Cc1ccco1 AIFCHEM-94591148876 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.731 CCC(F)CNC(C)Cc1ccco1 AIFCHEM-94591151257 [0,2,0,0,0,0|1,0,0]=3 367 B14R1.394 CCN(CC)CCNCc1ccco1 AIFCHEM-94540030478 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.819 CC(CO)CCNCc1occc1Br AIFCHEM-6462505327 [0,2,0,0,0,0|2,0,0]=4 369 B12R2.20 C[C@@H]1C[C@H]1NCc2cccs2 AIFCHEM-94559011912 [1,0,0,1,0,0|1,1,0]=4 370 B12R2.20 FC1CC1NCc2ccco2 AIFCHEM-94597363839 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.20 F[C@@H]1C[C@@H]1NCc2ccco2 AIFCHEM-94540080768 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.20 F[C@@H]1C[C@H]1NCc2ccco2 AIFCHEM-94540077937 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.20 F[C@H]1C[C@@H]1NCc2ccco2 AIFCHEM-94540081991 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.20 F[C@H]1C[C@H]1NCc2ccco2 AIFCHEM-94540080769 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.2056 c1coc(c1)CNC2CCC2 AIFCHEM-94540084748 [1,0,0,1,0,0|1,0,0]=3 376 B12R2.2056 c1coc(c1)CNC2CSC2 AIFCHEM-94540079789 [1,0,0,1,0,0|2,0,0]=4 377 B12R2.2383 c1coc(c1)CNCC2CC2 AIFCHEM-94557346397 [1,0,0,1,0,0|1,0,0]=3 378 B14R2.3 CCCCN1CCc2c1nccc2 AIFCHEM-94523028180 [0,0,0,1,0,1|2,0,0]=4 379 B14R2.49 C[C@@H]1C[C@H]1CNCc2ccncn2 AIFCHEM-94599416156 [0,0,0,1,0,1|2,0,0]=4 380 B14R2.101 c1cc(ncn1)NCC2CCCC2 AIFCHEM-6249312582 [0,0,0,1,0,1|2,0,0]=4 381 B14R2.101 c1cnnc(c1)CNC2CCCC2 AIFCHEM-94542377611 [0,0,0,1,0,1|2,0,0]=4 382 B14R2.3018 c1ccc(cc1)CCCNC2CC2 AIFCHEM-94573312466 [0,0,0,1,0,1|2,0,0]=4 383 B14R2.19 Ic1ccc(o1)CN2CCCOC2 AIFCHEM-5715601834 [0,1,0,1,0,0|2,0,0]=4 384 B14R2.99 OC[C@@H]1CCN1Cc2ccc(o2)Cl AIFCHEM-94538001287 [0,1,0,1,0,0|2,0,0]=4 385 B14R2.99 OC[C@H]1CCN1Cc2ccc(o2)Cl AIFCHEM-94554356423 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.251 O[C@@H]1CC[C@H]1NCc2cc(co2)Br AIFCHEM-6444387556 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.252 Brc1ccc(o1)CNC2CCCC2 AIFCHEM-94541522810 [0,1,0,1,0,0|1,0,0]=3 388 B14R2.252 Brc1ccc(o1)CNC2CCOC2 AIFCHEM-5977745989 [0,1,0,1,0,0|2,0,0]=4 389 B14R2.252 Brc1ccc(o1)CN[C@@H]2CCOC2 AIFCHEM-94564364257 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.252 Brc1ccc(o1)CN[C@H]2CCOC2 AIFCHEM-94585468080 [0,1,0,1,0,0|2,0,0]=4 391 B14R2.252 Brc1coc(c1)CNC2CCOC2 AIFCHEM-5958598729 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.252 Brc1coc(c1)CN[C@@H]2CCOC2 AIFCHEM-94564364602 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.252 Brc1coc(c1)CN[C@H]2CCOC2 AIFCHEM-5812103307 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.252 Cc1ccc(s1)NCC2CCCC2 AIFCHEM-6273740435 [0,1,0,1,0,0|1,1,0]=4 395 B14R2.252 Clc1ccc(o1)CNC2CCOC2 AIFCHEM-94559751191 [0,1,0,1,0,0|2,0,0]=4 396 B14R2.252 Clc1ccc(o1)CN[C@@H]2CCOC2 AIFCHEM-94564364570 [0,1,0,1,0,0|2,0,0]=4 397 B14R2.252 Clc1ccc(o1)CN[C@H]2CCOC2 AIFCHEM-94585468393 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.252 Ic1ccc(o1)CNC2CCCC2 AIFCHEM-94542375753 [0,1,0,1,0,0|1,0,0]=3 399 B14R2.252 OC1CCC(C1)NCc2ccco2 AIFCHEM-94594826877 [0,1,0,1,0,0|1,0,0]=3 400 B14R2.252 OC1CCC(C1)NCc2ccno2 AIFCHEM-5913752168 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2ccco2 AIFCHEM-94555497847 [0,1,0,1,0,0|1,0,0]=3 402 B14R2.252 O[C@@H]1CC[C@H](C1)NCc2ccco2 AIFCHEM-94571557900 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.252 O[C@H]1CC[C@@H](C1)NCc2ccco2 AIFCHEM-94540081455 [0,1,0,1,0,0|1,0,0]=3 404 B14R2.252 O[C@H]1CC[C@H](C1)NCc2ccco2 AIFCHEM-94540079524 [0,1,0,1,0,0|1,0,0]=3 405 B14R2.252 Oc1csc(c1)CNC2CCCC2 AIFCHEM-94571788123 [0,1,0,1,0,0|1,1,0]=4 406 B14R2.257 C[C@@H]1C[C@H]1CNCc2cc(cs2)Cl AIFCHEM-94599418030 [0,1,0,1,0,0|1,1,0]=4 407 B14R2.257 C[C@@H]1C[C@H]1CNCc2cc(cs2)O AIFCHEM-94599416482 [0,1,0,1,0,0|1,1,0]=4 408 B14R2.257 C[C@@H]1C[C@H]1CNCc2ccc(o2)Cl AIFCHEM-94599415890 [0,1,0,1,0,0|1,0,0]=3 409 B14R2.257 Cc1ccc(o1)CNC[C@@H]2C[C@H]2C AIFCHEM-94599418315 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.259 CC1CCCN1Cc2cc(cs2)O AIFCHEM-94571799644 [0,1,0,1,0,0|1,1,0]=4 411 B14R2.259 CC1CCCN1Cc2cc(no2)Br AIFCHEM-5763002534 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.259 CC1CCCN1Cc2ccc(s2)Br AIFCHEM-5724589904 [0,1,0,1,0,0|1,1,0]=4 413 B14R2.259 CC1SCCN1Cc2ccc(o2)Br AIFCHEM-94597267089 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.259 C[C@@H]1CCCN1Cc2cc(cs2)O AIFCHEM-94571798366 [0,1,0,1,0,0|1,1,0]=4 415 B14R2.259 C[C@@H]1CCCN1Cc2cc(no2)Br AIFCHEM-6077805552 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Br AIFCHEM-94548512140 [0,1,0,1,0,0|1,1,0]=4 417 B14R2.259 C[C@H]1CCCN1Cc2cc(cs2)O AIFCHEM-94571800200 [0,1,0,1,0,0|1,1,0]=4 418 B14R2.259 C[C@H]1CCCN1Cc2cc(no2)Br AIFCHEM-5675538658 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Br AIFCHEM-94569864978 [0,1,0,1,0,0|1,1,0]=4 420 B14R2.259 Cc1ccc(o1)CN2CCSC2C AIFCHEM-94597269827 [0,1,0,1,0,0|2,0,0]=4 421 B14R2.4374 Oc1csc(c1)CNCCC2CC2 AIFCHEM-94571803607 [0,1,0,1,0,0|1,1,0]=4 422 B14R2.4390 Brc1csc(c1)CNCC2CCC2 AIFCHEM-94536863851 [0,1,0,1,0,0|1,1,0]=4 423 B14R2.4390 Cc1ccc([nH]1)CNCC2CCC2 AIFCHEM-94536862333 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.4390 Cc1ccc(o1)CNCC2CCC2 AIFCHEM-5675366097 [0,1,0,1,0,0|1,0,0]=3 425 B14R2.4390 Cc1ccc(o1)CNCC2COC2 AIFCHEM-5925476794 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.4390 Clc1ccc(o1)CNCC2CCO2 AIFCHEM-94567675982 [0,1,0,1,0,0|2,0,0]=4 427 B14R2.4390 Clc1ccc(o1)CNC[C@@H]2CCO2 AIFCHEM-5809961358 [0,1,0,1,0,0|2,0,0]=4 428 B14R2.4390 Clc1ccc(o1)CNC[C@H]2CCO2 AIFCHEM-5694509300 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.4390 Oc1csc(c1)CNCC2CCC2 AIFCHEM-94571798598 [0,1,0,1,0,0|1,1,0]=4 430 B14R2.793 CC(NC1CCCC1)c2cccs2 AIFCHEM-94541529531 [0,1,0,1,0,0|1,1,0]=4 431 B14R2.793 CN(Cc1cnco1)C2CCCC2 AIFCHEM-5981105250 [0,1,0,1,0,0|2,0,0]=4 432 B14R2.793 C[C@@H](NC1CCCC1)c2cccs2 AIFCHEM-94541524294 [0,1,0,1,0,0|1,1,0]=4 433 B14R2.793 C[C@H](NC1CCCC1)c2cccs2 AIFCHEM-94541525369 [0,1,0,1,0,0|1,1,0]=4 434 B14R2.4253 O=C(NCCC1CC1)c2ccco2 AIFCHEM-5772553655 [0,1,0,1,0,0|1,0,1]=4 435 B14R2.4254 CC(NCC1CCC1)c2ccco2 AIFCHEM-94536862332 [0,1,0,1,0,0|1,0,0]=3 436 B14R2.4254 CC(NCC1CCC1)c2ncco2 AIFCHEM-94536867332 [0,1,0,1,0,0|2,0,0]=4 437 B14R2.4254 C[C@@H](NCC1CCC1)c2ccco2 AIFCHEM-6075533700 [0,1,0,1,0,0|1,0,0]=3 438 B14R2.50 CC1COCCN1Cc2ncco2 AIFCHEM-94530732714 [0,1,0,1,0,0|2,0,0]=4 439 B14R2.50 C[C@@H]1CCCCN1Cc2cccs2 AIFCHEM-5694340447 [0,1,0,1,0,0|0,1,0]=3 440 B14R2.50 C[C@@H]1CCCCN1Cc2cnc[nH]2 AIFCHEM-5694310966 [0,1,0,1,0,0|2,0,0]=4 441 B14R2.50 C[C@@H]1CCCCN1Cc2cnco2 AIFCHEM-5721089270 [0,1,0,1,0,0|1,0,0]=3 442 B14R2.50 C[C@@H]1COCCN1Cc2ccc[nH]2 AIFCHEM-94569761220 [0,1,0,1,0,0|2,0,0]=4 443 B14R2.50 C[C@@H]1COCCN1Cc2ncco2 AIFCHEM-5672536357 [0,1,0,1,0,0|2,0,0]=4 444 B14R2.50 C[C@H]1CCCCN1Cc2c[nH]cn2 AIFCHEM-94588084766 [0,1,0,1,0,0|2,0,0]=4 445 B14R2.50 C[C@H]1CCCCN1Cc2cccs2 AIFCHEM-94588088204 [0,1,0,1,0,0|0,1,0]=3 446 B14R2.50 C[C@H]1CCCCN1Cc2cnco2 AIFCHEM-94588082221 [0,1,0,1,0,0|1,0,0]=3 447 B14R2.50 C[C@H]1COCCN1Cc2ccc[nH]2 AIFCHEM-94571061119 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.50 C[C@H]1COCCN1Cc2ncco2 AIFCHEM-5784822386 [0,1,0,1,0,0|2,0,0]=4 449 B14R2.83 FC[C@@H]1CCCN1Cc2cccs2 AIFCHEM-6265056775 [0,1,0,1,0,0|1,1,0]=4 450 B14R2.83 OCC1CCCN1Cc2ccco2 AIFCHEM-94540087620 [0,1,0,1,0,0|1,0,0]=3 451 B14R2.83 OC[C@@H]1CCCN1Cc2ccco2 AIFCHEM-94540084424 [0,1,0,1,0,0|1,0,0]=3 452 B14R2.83 OC[C@H]1CCCN1Cc2ccco2 AIFCHEM-94607711374 [0,1,0,1,0,0|1,0,0]=3 453 B14R2.322 c1cnn(c1)CCNC2CCCC2 AIFCHEM-94541517089 [0,1,0,1,0,0|2,0,0]=4 454 B14R2.322 c1coc(n1)CNC[C@@H]2CCCO2 AIFCHEM-5734809426 [0,1,0,1,0,0|2,0,0]=4 455 B14R2.322 c1coc(n1)CNC[C@H]2CCCO2 AIFCHEM-5599334160 [0,1,0,1,0,0|2,0,0]=4 456 B14R2.322 c1ncc(o1)CNCC2CCOC2 AIFCHEM-94607328947 [0,1,0,1,0,0|2,0,0]=4 457 B14R2.322 c1ncc(o1)CNC[C@@H]2CCOC2 AIFCHEM-5748990498 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.322 c1ncc(o1)CNC[C@H]2CCOC2 AIFCHEM-5993037886 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.322 c1ncc(s1)CCNC2CCCC2 AIFCHEM-94541531058 [0,1,0,1,0,0|1,1,0]=4 460 B14R2.384 Brc1ccsc1CNC2CCCC2 AIFCHEM-94541519257 [0,1,0,1,0,0|1,1,0]=4 461 B14R2.384 CC1SCCC1NCc2cccs2 AIFCHEM-94562635878 [0,1,0,1,0,0|1,1,0]=4 462 B14R2.892 CCCCN1CCCc2c1cn[nH]2 AIFCHEM-94523033947 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.2840 c1coc(n1)CN2CCCOCC2 AIFCHEM-5874978162 [0,1,0,1,0,0|2,0,0]=4 464 B14R2.1185 COC1CC(C1)NCc2ccco2 AIFCHEM-94557348038 [0,1,0,1,0,0|2,0,0]=4 465 B14R2.1185 CO[C@H]1C[C@@H](C1)NCc2ccco2 AIFCHEM-94540080754 [0,1,0,1,0,0|2,0,0]=4 466 B14R2.1185 CO[C@H]1C[C@H](C1)NCc2ccco2 AIFCHEM-94540080755 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.5478 CC1(CCCC1)NCc2ccco2 AIFCHEM-94540076997 [0,1,0,1,0,0|1,0,0]=3 468 B14R2.13184 O=C(CC1CC1)NCc2ccco2 AIFCHEM-94557358073 [0,1,0,1,0,0|1,0,1]=4 469 B14R2.13184 O=C(CCc1ccco1)NC2CC2 AIFCHEM-6133651478 [0,1,0,1,0,0|1,0,1]=4 470 B14R2.40225 CC(NCc1cnco1)C2CCC2 AIFCHEM-94607326384 [0,1,0,1,0,0|2,0,0]=4 471 B14R2.119 OCC1CCN(C1)Cc2ccco2 AIFCHEM-94596742958 [0,1,0,1,0,0|2,0,0]=4 472 B14R2.119 OC[C@@H]1CCN(C1)Cc2ccco2 AIFCHEM-94540077683 [0,1,0,1,0,0|2,0,0]=4 473 B14R2.119 OC[C@H]1CCN(C1)Cc2ccco2 AIFCHEM-94538130704 [0,1,0,1,0,0|2,0,0]=4 474 B14R2.716 C[C@@H]1CCCN(C1)Cc2ccc[nH]2 AIFCHEM-6023624491 [0,1,0,1,0,0|2,0,0]=4 475 B14R2.716 FC1CCCN(C1)Cc2ccc[nH]2 AIFCHEM-5733033997 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.716 FC1CCCN(C1)Cc2cnco2 AIFCHEM-5704461919 [0,1,0,1,0,0|2,0,0]=4 477 B14R2.716 OC1CCCN(C1)Cc2ncco2 AIFCHEM-6478300332 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.716 OC1CN(CCO1)Cc2ccco2 AIFCHEM-94540091056 [0,1,0,1,0,0|2,0,0]=4 479 B14R2.716 O[C@@H]1CCCN(C1)Cc2ccc[nH]2 AIFCHEM-6461985844 [0,1,0,1,0,0|2,0,0]=4 480 B14R2.716 O[C@@H]1CCCN(C1)Cc2ncco2 AIFCHEM-94531245964 [0,1,0,1,0,0|2,0,0]=4 481 B14R2.716 O[C@H]1CCCN(C1)Cc2ncco2 AIFCHEM-6402947600 [0,1,0,1,0,0|2,0,0]=4 482 B14R2.731 CC1CCN1C(=O)Cc2ccco2 AIFCHEM-6090148361 [0,1,0,1,0,0|1,0,1]=4 483 B14R2.731 C[C@@H]1CCN1C(=O)Cc2ccco2 AIFCHEM-6275707669 [0,1,0,1,0,0|1,0,1]=4 484 B14R2.731 C[C@H]1CCN1C(=O)Cc2ccco2 AIFCHEM-5760703760 [0,1,0,1,0,0|1,0,1]=4 485 B14R2.31918 CC(Cc1ccco1)NC2CSC2 AIFCHEM-94591150496 [0,1,0,1,0,0|2,0,0]=4 486 B14R2.439 CN1CC(C1)CNCc2ccco2 AIFCHEM-94540082627 [0,1,0,1,0,0|2,0,0]=4 487 B14R2.439 O[C@H]1C[C@H](C1)CNCc2ccco2 AIFCHEM-94540092630 [0,1,0,1,0,0|1,0,0]=3 488 B14R2.439 O[C@H]1C[C@H](C1)CNCc2cnco2 AIFCHEM-6454786935 [0,1,0,1,0,0|2,0,0]=4 489 B14R2.4671 CC1(CCCN1Cc2cccs2)C AIFCHEM-5609632083 [0,1,0,1,0,0|1,1,0]=4 490 B14R2.4671 CC1(CCCN1Cc2cnco2)C AIFCHEM-5667837019 [0,1,0,1,0,0|2,0,0]=4 491 B14R2.4458 C[C@@H]1C[C@@H](CN1Cc2ncco2)O AIFCHEM-6503500812 [0,1,0,1,0,0|2,0,0]=4 492 B14R2.4458 C[C@H]1C[C@H](CN1Cc2ncco2)O AIFCHEM-6438088176 [0,1,0,1,0,0|2,0,0]=4 493 B14R2.4658 CC1(CCC1)CNCc2ccco2 AIFCHEM-94540079338 [0,1,0,1,0,0|1,0,0]=3 494 B14R2.4658 OC1(CCC1)CNCc2cccs2 AIFCHEM-6498353618 [0,1,0,1,0,0|1,1,0]=4 495 B14R2.4658 OC1(COC1)CNCc2ccco2 AIFCHEM-94540079873 [0,1,0,1,0,0|2,0,0]=4 496 B14R2.31850 OC(CNCc1ccco1)C2CC2 AIFCHEM-94540088202 [0,1,0,1,0,0|1,0,0]=3 497 B14R2.31850 OC(CNCc1cnco1)C2CC2 AIFCHEM-94582137347 [0,1,0,1,0,0|2,0,0]=4 498 B14R2.72 FC1CCN(CC1)Cc2cnco2 AIFCHEM-5671210348 [0,1,0,1,0,0|2,0,0]=4 499 B14R2.72 OC1CCN(CC1)Cc2cnco2 AIFCHEM-94546652485 [0,1,0,1,0,0|2,0,0]=4 500 B14R2.309 Cc1cc[nH]c1CN2CCCC2C AIFCHEM-5698364188 [0,1,0,1,0,0|2,0,0]=4 501 B14R2.309 Cc1cc[nH]c1CN2CCC[C@@H]2C AIFCHEM-94569863655 [0,1,0,1,0,0|2,0,0]=4 502 B14R2.309 Cc1cc[nH]c1CN2CCC[C@H]2C AIFCHEM-6030986828 [0,1,0,1,0,0|2,0,0]=4 503 B14R2.309 Cc1ccsc1CN2CCCC2C AIFCHEM-94592636937 [0,1,0,1,0,0|1,1,0]=4 504 B14R2.309 Cc1ccsc1CN2CCC[C@@H]2C AIFCHEM-94569865626 [0,1,0,1,0,0|1,1,0]=4 505 B14R2.309 Cc1ccsc1CN2CCC[C@H]2C AIFCHEM-6052810192 [0,1,0,1,0,0|1,1,0]=4 506 B14R2.369 C[C@@H]1C[C@H]1CNCc2sccc2Cl AIFCHEM-94599418610 [0,1,0,1,0,0|1,1,0]=4 507 B14R2.4734 Brc1ccoc1CNCCC2CC2 AIFCHEM-5696901815 [0,1,0,1,0,0|1,0,0]=3 508 B14R2.5216 Brc1ccoc1CNCC2COC2 AIFCHEM-5895466459 [0,1,0,1,0,0|2,0,0]=4 509 B14R2.5216 Brc1ccsc1CNCC2CCC2 AIFCHEM-5647106370 [0,1,0,1,0,0|1,1,0]=4 510 B14R3.2928 c1csc(c1)CN2CC3CC2C3 AIFCHEM-5757426417 [0,0,0,2,0,0|1,1,0]=4 511 B14R3.36 c1csc(c1)CN2CC3CC3C2 AIFCHEM-94584685747 [0,0,0,2,0,0|1,1,0]=4