0 B19R3.19255 C(=CC1CCCCC1)c2cc3ccccc3o2 AIFCHEM-6473370222 [0,0,0,0,0,0|3,1,0]=4 1 B19R3.19255 C(=CC1CCCCC1)c2cc3ccccc3s2 AIFCHEM-6327964943 [0,0,0,0,0,0|3,0,0]=3 2 B19R3.19255 C(=CC1CCCCC1)c2cn3ccccc3n2 AIFCHEM-6303225796 [0,0,0,0,0,0|4,0,0]=4 3 B19R3.19255 c1ccc2[nH]c(cc2c1)CNC3CCCOC3 AIFCHEM-94589545619 [0,0,0,0,0,0|3,0,1]=4 4 B19R3.19255 c1ccc2[nH]c(cc2c1)CN[C@@H]3CCCOC3 AIFCHEM-94588266303 [0,0,0,0,0,0|3,0,1]=4 5 B19R3.19255 c1ccc2[nH]c(cc2c1)CN[C@H]3CCCOC3 AIFCHEM-6122488926 [0,0,0,0,0,0|3,0,1]=4 6 B19R3.19255 c1ccc2oc(cc2c1)CNC3CCOCC3 AIFCHEM-5634992145 [0,0,0,0,0,0|3,1,0]=4 7 B19R3.19255 c1ccc2sc(cc2c1)NCC3CCCCC3 AIFCHEM-6221393476 [0,0,0,0,0,0|3,0,0]=3 8 B19R3.19255 c1ccn2cc(nc2c1)CNC3CCSCC3 AIFCHEM-5639347669 [0,0,0,0,0,0|4,0,0]=4 9 B19R3.19255 c1cnc2nc(oc2c1)NCC3CCCCC3 AIFCHEM-6224155010 [0,0,0,0,0,0|3,1,0]=4 10 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCCOC3 AIFCHEM-5847237586 [0,0,0,0,0,0|4,0,0]=4 11 B19R3.19255 c1cnc2sc(cc2c1)CNC3CCSCC3 AIFCHEM-94574183396 [0,0,0,0,0,0|4,0,0]=4 12 B19R3.19255 c1cnc2sc(cc2c1)CN[C@@H]3CCCOC3 AIFCHEM-94588268465 [0,0,0,0,0,0|4,0,0]=4 13 B20R3.277 Brc1c(sc2c1cccc2)CNC3CCCCC3 AIFCHEM-94539523705 [0,1,0,0,0,0|2,0,0]=3 14 B20R3.277 Cn1c(nc2c1cccc2)C=CC3CCCCC3 AIFCHEM-6340492711 [0,1,0,0,0,0|3,0,0]=4 15 B20R3.16119 CN(Cc1cc2ccccc2s1)C3CCSCC3 AIFCHEM-94608308222 [0,1,0,0,0,0|3,0,0]=4 16 B20R3.16119 CN(Cc1cn2ccccc2n1)C3CCCCC3 AIFCHEM-5595949198 [0,1,0,0,0,0|3,0,0]=4 17 B20R3.16119 CN(Cc1nc2ccccc2[nH]1)C3CCOCC3 AIFCHEM-94558616271 [0,1,0,0,0,0|3,0,0]=4 18 B20R3.16119 CN(Cc1nc2ccccc2s1)C3CCCCC3 AIFCHEM-94601789139 [0,1,0,0,0,0|1,0,0]=2 19 B20R3.91525 C[C@@H]1CCCC(C1)NCc2nc3ncccc3[nH]2 AIFCHEM-94588394459 [0,1,0,0,0,0|3,0,0]=4 20 B20R3.91525 OC1CCCC(C1)NCc2cc3ccccc3o2 AIFCHEM-6454582636 [0,1,0,0,0,0|2,1,0]=4 21 B20R3.91525 OC1CCCC(C1)NCc2cc3cccnc3s2 AIFCHEM-94599815324 [0,1,0,0,0,0|3,0,0]=4 22 B20R3.91525 OC1CCCC(C1)NCc2nc3ccccc3s2 AIFCHEM-6477929274 [0,1,0,0,0,0|1,0,0]=2 23 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2cc3ccccc3o2 AIFCHEM-6470271081 [0,1,0,0,0,0|2,1,0]=4 24 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2cc3cccnc3s2 AIFCHEM-6389265061 [0,1,0,0,0,0|3,0,0]=4 25 B20R3.91525 O[C@@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 AIFCHEM-6389787241 [0,1,0,0,0,0|1,0,0]=2 26 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2cc3ccccc3o2 AIFCHEM-6421460818 [0,1,0,0,0,0|2,1,0]=4 27 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2cc3cccnc3s2 AIFCHEM-6421222539 [0,1,0,0,0,0|3,0,0]=4 28 B20R3.91525 O[C@@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 AIFCHEM-6465865410 [0,1,0,0,0,0|1,0,0]=2 29 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2cc3ccccc3o2 AIFCHEM-94549107853 [0,1,0,0,0,0|2,1,0]=4 30 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2cc3cccnc3s2 AIFCHEM-94549108294 [0,1,0,0,0,0|3,0,0]=4 31 B20R3.91525 O[C@H]1CCC[C@@H](C1)NCc2nc3ccccc3s2 AIFCHEM-94549109114 [0,1,0,0,0,0|1,0,0]=2 32 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2cc3ccccc3o2 AIFCHEM-6502407625 [0,1,0,0,0,0|2,1,0]=4 33 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2cc3cccnc3s2 AIFCHEM-6499298500 [0,1,0,0,0,0|3,0,0]=4 34 B20R3.91525 O[C@H]1CCC[C@H](C1)NCc2nc3ccccc3s2 AIFCHEM-6506574937 [0,1,0,0,0,0|1,0,0]=2 35 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCCCC3 AIFCHEM-94539525863 [0,1,0,0,0,0|2,0,0]=3 36 B20R3.94169 Brc1ccc2cc(sc2c1)CNC3CCOCC3 AIFCHEM-5654392321 [0,1,0,0,0,0|3,0,0]=4 37 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCCCC3 AIFCHEM-6172209876 [0,1,0,0,0,0|2,0,0]=3 38 B20R3.94169 Brc1ccc2nc(sc2c1)NCC3CCSCC3 AIFCHEM-6117015143 [0,1,0,0,0,0|3,0,0]=4 39 B20R3.94169 Brc1ccc2sc(cc2c1)CNC3CCCCC3 AIFCHEM-5905510581 [0,1,0,0,0,0|2,0,0]=3 40 B20R3.94169 Brc1ccc2sc(nc2c1)NCC3CCCCC3 AIFCHEM-5713704120 [0,1,0,0,0,0|2,0,0]=3 41 B20R3.94169 Cc1ccc2nc(cn2c1)CNC3CCCCC3 AIFCHEM-94560373437 [0,1,0,0,0,0|3,0,0]=4 42 B20R3.94169 Cc1ccc2nc(sc2c1)C=CC3CCCCC3 AIFCHEM-6305957917 [0,1,0,0,0,0|2,0,0]=3 43 B20R3.94169 Cc1ccc2oc(nc2c1)NCC3CCCCC3 AIFCHEM-6061944271 [0,1,0,0,0,0|2,1,0]=4 44 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCCCC3 AIFCHEM-6228998200 [0,1,0,0,0,0|2,0,0]=3 45 B20R3.94169 Cc1ccc2sc(nc2c1)NCC3CCOCC3 AIFCHEM-6222913165 [0,1,0,0,0,0|3,0,0]=4 46 B20R3.94169 Clc1ccc2nc([nH]c2c1)CNC3CCCOC3 AIFCHEM-6119027323 [0,1,0,0,0,0|3,0,0]=4 47 B20R3.94169 Clc1ccc2oc(nc2c1)NCC3CCCCC3 AIFCHEM-5708869402 [0,1,0,0,0,0|2,1,0]=4 48 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCOCC3 AIFCHEM-5668848959 [0,1,0,0,0,0|3,0,0]=4 49 B20R3.94169 Clc1ccc2sc(cc2c1)CNC3CCSCC3 AIFCHEM-5638756227 [0,1,0,0,0,0|3,0,0]=4 50 B20R3.94169 Fc1ccc2cc([nH]c2c1)CNC3CCCCC3 AIFCHEM-94560377552 [0,1,0,0,0,0|2,0,1]=4 51 B20R3.94169 Fc1ccc2nc([nH]c2c1)CNC3CCCOC3 AIFCHEM-94589549566 [0,1,0,0,0,0|3,0,0]=4 52 B20R3.94169 Fc1ccc2nc([nH]c2c1)CN[C@@H]3CCCOC3 AIFCHEM-94588270250 [0,1,0,0,0,0|3,0,0]=4 53 B20R3.94169 Fc1ccc2nc([nH]c2c1)CN[C@H]3CCCOC3 AIFCHEM-6133443419 [0,1,0,0,0,0|3,0,0]=4 54 B20R3.94169 Fc1ccc2nc(sc2c1)C=CC3CCCCC3 AIFCHEM-6436599251 [0,1,0,0,0,0|2,0,0]=3 55 B20R3.94169 Fc1ccc2sc(nc2c1)NCC3CCOCC3 AIFCHEM-5853693385 [0,1,0,0,0,0|3,0,0]=4 56 B20R3.94169 Nc1ccc2nc(sc2c1)C=CC3CCCCC3 AIFCHEM-6451435525 [0,1,0,0,0,0|2,0,0]=3 57 B20R3.94169 Oc1ccc2sc(nc2c1)NCC3CCCCC3 AIFCHEM-6054988120 [0,1,0,0,0,0|2,0,0]=3 58 B20R3.97891 CC1CCCCC1NCc2cc3ccccc3o2 AIFCHEM-94562404722 [0,1,0,0,0,0|2,1,0]=4 59 B20R3.97891 CC1COCCC1NCc2cc3ccccc3s2 AIFCHEM-6046030188 [0,1,0,0,0,0|3,0,0]=4 60 B20R3.97891 C[C@H]1CCCC[C@H]1NCc2cc3ccccc3o2 AIFCHEM-94605785183 [0,1,0,0,0,0|2,1,0]=4 61 B20R3.97891 OC1CCCCC1NCc2cc3ccccc3o2 AIFCHEM-6446868253 [0,1,0,0,0,0|2,1,0]=4 62 B20R3.97891 OC1CCCCC1NCc2cc3cccnc3s2 AIFCHEM-94571781870 [0,1,0,0,0,0|3,0,0]=4 63 B20R3.97891 OC1CCCCC1NCc2cc3cnccc3s2 AIFCHEM-6433434983 [0,1,0,0,0,0|3,0,0]=4 64 B20R3.97891 OC1CCCCC1NCc2cn3ccccc3n2 AIFCHEM-94571778099 [0,1,0,0,0,0|3,0,0]=4 65 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2cc3ccccc3o2 AIFCHEM-94582896002 [0,1,0,0,0,0|2,1,0]=4 66 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2cc3cccnc3s2 AIFCHEM-6488632140 [0,1,0,0,0,0|3,0,0]=4 67 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2cc3cnccc3s2 AIFCHEM-94582898576 [0,1,0,0,0,0|3,0,0]=4 68 B20R3.97891 O[C@@H]1CCCC[C@@H]1NCc2cn3ccccc3n2 AIFCHEM-6488970028 [0,1,0,0,0,0|3,0,0]=4 69 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2cc3ccccc3o2 AIFCHEM-94562030202 [0,1,0,0,0,0|2,1,0]=4 70 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2cc3cccnc3s2 AIFCHEM-94562030643 [0,1,0,0,0,0|3,0,0]=4 71 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2cc3cnccc3s2 AIFCHEM-94543574747 [0,1,0,0,0,0|3,0,0]=4 72 B20R3.97891 O[C@@H]1CCCC[C@H]1NCc2cn3ccccc3n2 AIFCHEM-6437849904 [0,1,0,0,0,0|3,0,0]=4 73 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3ccccc3o2 AIFCHEM-94601850582 [0,1,0,0,0,0|2,1,0]=4 74 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3cccnc3s2 AIFCHEM-6428558009 [0,1,0,0,0,0|3,0,0]=4 75 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cc3cnccc3s2 AIFCHEM-6453877665 [0,1,0,0,0,0|3,0,0]=4 76 B20R3.97891 O[C@H]1CCCC[C@@H]1NCc2cn3ccccc3n2 AIFCHEM-6445490804 [0,1,0,0,0,0|3,0,0]=4 77 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3ccccc3o2 AIFCHEM-6462876786 [0,1,0,0,0,0|2,1,0]=4 78 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3cccnc3s2 AIFCHEM-6437223885 [0,1,0,0,0,0|3,0,0]=4 79 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cc3cnccc3s2 AIFCHEM-6445752802 [0,1,0,0,0,0|3,0,0]=4 80 B20R3.97891 O[C@H]1CCCC[C@H]1NCc2cn3ccccc3n2 AIFCHEM-6435775487 [0,1,0,0,0,0|3,0,0]=4 81 B20R3.248100 Brc1cccc2c1nc(s2)NCC3CCCCC3 AIFCHEM-5964947975 [0,1,0,0,0,0|2,0,0]=3 82 B20R3.248100 Brc1cccc2c1nc(s2)NCC3CCOCC3 AIFCHEM-5924897735 [0,1,0,0,0,0|3,0,0]=4 83 B20R3.248100 Brc1cccc2c1oc(n2)NCC3CCCCC3 AIFCHEM-5810515730 [0,1,0,0,0,0|2,1,0]=4 84 B20R3.248100 Brc1cccc2c1sc(c2)NCC3CCCCC3 AIFCHEM-5916693528 [0,1,0,0,0,0|3,0,0]=4 85 B20R3.248100 Cc1cccc2c1nc(s2)C=CC3CCCCC3 AIFCHEM-6394989068 [0,1,0,0,0,0|2,0,0]=3 86 B20R3.248100 Cc1cccc2c1sc(n2)NCC3CCCCC3 AIFCHEM-5813132082 [0,1,0,0,0,0|2,0,0]=3 87 B20R3.248100 Clc1cccc2c1nc(s2)NCC3CCOCC3 AIFCHEM-94564105471 [0,1,0,0,0,0|3,0,0]=4 88 B20R3.248100 Clc1cccc2c1sc(n2)NCC3CCSCC3 AIFCHEM-5702444995 [0,1,0,0,0,0|3,0,0]=4 89 B20R3.248100 Clc1ccnc2c1sc(c2)CNC3CCCCC3 AIFCHEM-5907440145 [0,1,0,0,0,0|3,0,0]=4 90 B20R3.248100 Fc1cccc2c1nc([nH]2)CNC3CCSCC3 AIFCHEM-6037548656 [0,1,0,0,0,0|3,0,0]=4 91 B20R3.248100 Fc1cccc2c1nc(s2)C=CC3CCCCC3 AIFCHEM-6416309360 [0,1,0,0,0,0|2,0,0]=3 92 B20R3.248100 Fc1cccc2c1sc(n2)C=CC3CCCCC3 AIFCHEM-6397357306 [0,1,0,0,0,0|2,0,0]=3 93 B20R3.248100 Oc1cccc2c1nc(s2)NCC3CCSCC3 AIFCHEM-6006495686 [0,1,0,0,0,0|3,0,0]=4 94 B20R3.331219 CC(NC1CCCCC1)c2nc3ccccc3o2 AIFCHEM-94560371886 [0,1,0,0,0,0|1,1,0]=3 95 B20R3.331219 CC(NC1CCCCC1)c2nc3ccccc3s2 AIFCHEM-94539525434 [0,1,0,0,0,0|1,0,0]=2 96 B20R3.331219 C[C@@H](NC1CCSCC1)c2nc3ccccc3[nH]2 AIFCHEM-6026430138 [0,1,0,0,0,0|3,0,0]=4 97 B20R3.331219 O=C(NC1CC=CCC1)c2nc3ccccc3s2 AIFCHEM-5945382698 [0,1,0,0,0,0|1,0,2]=4 98 B20R3.331219 O=C(NC1CCCCC1)c2cc3ccccc3o2 AIFCHEM-94551508538 [0,1,0,0,0,0|2,1,0]=4 99 B20R3.331219 O=C(NC1CCCCC1)c2cc3ccncc3s2 AIFCHEM-5982198302 [0,1,0,0,0,0|3,0,0]=4 100 B20R3.331219 O=C(NC1CCCCC1)c2nc3ccccn3n2 AIFCHEM-94551510997 [0,1,0,0,0,0|3,0,0]=4 101 B20R3.331219 O=C(NC1CCSCC1)c2nc3ccccc3s2 AIFCHEM-94574191196 [0,1,0,0,0,0|2,0,0]=3 102 B20R3.408728 CN1CCC(CC1)NCc2nc3ccccc3s2 AIFCHEM-5969737193 [0,1,0,0,0,0|2,0,0]=3 103 B20R3.408728 FC1CCC(CC1)NCc2nc3ccccc3s2 AIFCHEM-94526006396 [0,1,0,0,0,0|1,0,0]=2 104 B20R3.14686862 CC1(CCOCC1)CNc2nc3ccccc3s2 AIFCHEM-94552854476 [0,1,0,0,0,0|3,0,0]=4 105 B18R2.1897 CC(CCCO)NCc1nc2ccccc2s1 AIFCHEM-94575409805 [0,0,1,0,0,0|2,0,0]=3 106 B18R2.1897 CCCCC(C)NCc1nc2ccccc2[nH]1 AIFCHEM-94541404339 [0,0,1,0,0,0|2,0,0]=3 107 B18R2.1897 CCCC[C@@H](C)NCc1nc2ccccc2[nH]1 AIFCHEM-94596951494 [0,0,1,0,0,0|2,0,0]=3 108 B18R2.1897 CSCCC(C)NCc1nc2ccccc2[nH]1 AIFCHEM-94523014609 [0,0,1,0,0,0|3,0,0]=4 109 B18R2.1897 CSCCC(C)NCc1nc2ccccc2s1 AIFCHEM-6266818244 [0,0,1,0,0,0|2,0,0]=3 110 B18R2.1897 C[C@@H](CCCO)NCc1nc2ccccc2s1 AIFCHEM-6389476986 [0,0,1,0,0,0|2,0,0]=3 111 B18R2.1897 C[C@H](CCCO)NCc1nc2ccccc2s1 AIFCHEM-6458744628 [0,0,1,0,0,0|2,0,0]=3 112 B18R2.4165 CCC(COC)NCc1nc2ccccc2s1 AIFCHEM-6279592792 [0,0,1,0,0,0|2,0,0]=3 113 B18R2.4165 CCC[C@@H](CO)NCc1nc2ccccc2[nH]1 AIFCHEM-94607955620 [0,0,1,0,0,0|3,0,0]=4 114 B18R2.4165 CCC[C@H](CO)NCc1nc2ccccc2[nH]1 AIFCHEM-6453325252 [0,0,1,0,0,0|3,0,0]=4 115 B18R2.4165 COCC(CO)NCc1nc2ccccc2s1 AIFCHEM-6389360726 [0,0,1,0,0,0|3,0,0]=4 116 B18R2.4165 OCCC(CO)NCc1nc2ccccc2s1 AIFCHEM-94556883515 [0,0,1,0,0,0|3,0,0]=4 117 B18R2.7339 CCCCCCC=Cc1cc2ccccc2s1 AIFCHEM-6335524005 [0,0,1,0,0,0|3,0,0]=4 118 B18R2.7339 CCCCCCC=Cc1nc2ccccc2s1 AIFCHEM-94560455041 [0,0,1,0,0,0|2,0,0]=3 119 B18R2.7339 CCCCCCCNc1cc2ccccc2s1 AIFCHEM-94589459275 [0,0,1,0,0,0|3,0,0]=4 120 B18R2.7339 CCCCCCNCc1cc2cccnc2s1 AIFCHEM-94571765583 [0,0,1,0,0,0|3,0,0]=4 121 B20R4.1699972 c1ccn2cc(nc2c1)CNC3CC4CC4C3 AIFCHEM-94550924763 [0,0,0,1,0,0|3,0,0]=4 122 B20R4.7553715 c1cc2sc(cc2cn1)CN3C4CCC3CC4 AIFCHEM-5659132705 [0,0,0,1,0,0|3,0,0]=4 123 B20R4.7553715 c1ccc2[nH]c(cc2c1)CN3C4CCC3CC4 AIFCHEM-5611809858 [0,0,0,1,0,0|2,0,1]=4 124 B20R4.7553715 c1ccc2oc(cc2c1)CN3C4CCC3CC4 AIFCHEM-5659583351 [0,0,0,1,0,0|2,1,0]=4 125 B20R4.7553715 c1cnc2sc(cc2c1)CN3C4CCC3CC4 AIFCHEM-5659331920 [0,0,0,1,0,0|3,0,0]=4 126 B20R4.7553723 c1ccc2[nH]c(nc2c1)CNC3CCC4C3C4 AIFCHEM-94523015079 [0,0,0,1,0,0|2,0,0]=3 127 B20R4.7553723 c1ccc2oc(cc2c1)CNC3CCC4C3C4 AIFCHEM-94562403873 [0,0,0,1,0,0|2,1,0]=4 128 B20R4.7553723 c1ccn2cc(nc2c1)CNC3CCC4C3C4 AIFCHEM-94550926651 [0,0,0,1,0,0|3,0,0]=4 129 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCCC3 AIFCHEM-94523011913 [0,0,0,0,1,0|2,0,0]=3 130 B18R3.12728 c1ccc2[nH]c(nc2c1)CNC3CCOC3 AIFCHEM-94567367951 [0,0,0,0,1,0|3,0,0]=4 131 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@@H]3CCOC3 AIFCHEM-5799760211 [0,0,0,0,1,0|3,0,0]=4 132 B18R3.12728 c1ccc2[nH]c(nc2c1)CN[C@H]3CCOC3 AIFCHEM-94585469225 [0,0,0,0,1,0|3,0,0]=4 133 B18R3.12728 c1ccn2cc(nc2c1)CNC3CCCC3 AIFCHEM-94550923485 [0,0,0,0,1,0|3,0,0]=4 134 B18R3.12875 c1ccc2sc(nc2c1)CN3CCSCC3 AIFCHEM-94541227106 [0,0,0,0,1,0|3,0,0]=4 135 B18R3.12875 c1ccn2cc(nc2c1)NC3CCOCC3 AIFCHEM-6026084371 [0,0,0,0,1,0|3,0,0]=4 136 B20R3.30190 C(=CC1CCCCC1)c2cnc3ccccc3c2 AIFCHEM-6199573277 [0,0,0,0,0,1|3,0,0]=4 137 B20R3.30190 c1ccc2cc(ncc2c1)CNC3CCSCC3 AIFCHEM-5610009149 [0,0,0,0,0,1|3,0,0]=4 138 B20R3.30190 c1ccc2nc(cnc2c1)CNC3CCCCC3 AIFCHEM-94551497313 [0,0,0,0,0,1|2,0,0]=3 139 B20R3.30190 c1ccc2nc(ncc2c1)NCC3CCCCC3 AIFCHEM-6244066034 [0,0,0,0,0,1|3,0,0]=4 140 B20R3.30190 c1ccc2ncc(cc2c1)CNC3CCOCC3 AIFCHEM-94574392879 [0,0,0,0,0,1|3,0,0]=4 141 B20R3.30190 c1ccc2ncc(cc2c1)NCC3CCCCC3 AIFCHEM-94605760675 [0,0,0,0,0,1|3,0,0]=4 142 B20R3.30260 c1cc2sc(cc2cn1)CNCC3CCCCC3 AIFCHEM-5711965529 [0,0,0,0,0,1|3,0,0]=4 143 B20R3.30260 c1ccc2nn(nc2c1)CCNC3CCCCC3 AIFCHEM-94601796832 [0,0,0,0,0,1|3,0,0]=4 144 B20R3.30260 c1ccc2sc(cc2c1)CCNC3CCCOC3 AIFCHEM-6143364704 [0,0,0,0,0,1|3,0,0]=4 145 B20R3.30260 c1ccc2sc(cc2c1)CCNC3CCSCC3 AIFCHEM-6178146816 [0,0,0,0,0,1|3,0,0]=4 146 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCOCC3 AIFCHEM-94579837839 [0,0,0,0,0,1|3,0,0]=4 147 B20R3.30260 c1ccc2sc(cc2c1)CNCC3CCSCC3 AIFCHEM-6000011069 [0,0,0,0,0,1|3,0,0]=4 148 B20R3.30260 c1ccc2sc(cc2c1)NCCC3CCCCC3 AIFCHEM-6195192935 [0,0,0,0,0,1|3,0,0]=4 149 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCCCO3 AIFCHEM-94560319632 [0,0,0,0,0,1|2,0,0]=3 150 B20R3.30260 c1ccc2sc(nc2c1)CNCC3CCSCC3 AIFCHEM-6219207685 [0,0,0,0,0,1|2,0,0]=3 151 B20R3.1869421 c1ccc2[nH]c(cc2c1)CNC3CCCCCC3 AIFCHEM-5636477644 [0,0,0,0,0,1|2,0,1]=4 152 B20R3.1869421 c1ccc2sc(nc2c1)CNC3CCCCCC3 AIFCHEM-5636466571 [0,0,0,0,0,1|1,0,0]=2 153 B17R2.2134 CC(CCO)NCc1nc2ccccc2s1 AIFCHEM-6266655175 [1,0,1,0,0,0|2,0,0]=4 154 B17R2.2134 C[C@@H](CCO)NCc1nc2ccccc2s1 AIFCHEM-6498688356 [1,0,1,0,0,0|2,0,0]=4 155 B17R2.2134 C[C@H](CCO)NCc1nc2ccccc2s1 AIFCHEM-6439137649 [1,0,1,0,0,0|2,0,0]=4 156 B17R2.2569 OCCCCCNc1cc2ccccc2s1 AIFCHEM-6216237661 [1,0,1,0,0,0|2,0,0]=4 157 B17R2.2569 OCCOCCNc1nc2ccccc2s1 AIFCHEM-5888734390 [1,0,1,0,0,0|2,0,0]=4 158 B19R2.1465 CCCC[C@@H](C)NCc1cc2cc(ccc2s1)Br AIFCHEM-94596953648 [0,1,1,0,0,0|2,0,0]=4 159 B19R2.1465 CCCC[C@@H](C)NCc1cc2cc(ccc2s1)Cl AIFCHEM-94596951207 [0,1,1,0,0,0|2,0,0]=4 160 B19R2.1465 CCCC[C@@H](C)NCc1cc2ccc(cc2s1)Br AIFCHEM-94596950357 [0,1,1,0,0,0|2,0,0]=4 161 B19R2.1467 CCCC[C@@H](C)NCc1sc2ccccc2c1Br AIFCHEM-94596948199 [0,1,1,0,0,0|2,0,0]=4 162 B19R2.46001 CCCC[C@@H](C)NC(=O)c1cc2ccccc2s1 AIFCHEM-94596962188 [0,1,1,0,0,0|2,0,0]=4 163 B19R2.112266 CC(C)CCC(C)NCc1nc2ccccc2s1 AIFCHEM-94561175270 [0,1,1,0,0,0|1,0,0]=3 164 B19R2.121686 CCCC(CCC)NCc1cc2ccccc2s1 AIFCHEM-5844367182 [0,1,1,0,0,0|2,0,0]=4 165 B19R2.1283 CCCCCCC=Cc1nc2ccc(cc2s1)C AIFCHEM-6305976968 [0,1,1,0,0,0|2,0,0]=4 166 B19R2.1283 CCCCCCC=Cc1nc2ccc(cc2s1)F AIFCHEM-94560458654 [0,1,1,0,0,0|2,0,0]=4 167 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)Br AIFCHEM-94589455443 [0,1,1,0,0,0|2,0,0]=4 168 B19R2.1283 CCCCCCCNc1nc2cc(ccc2s1)Cl AIFCHEM-94589455440 [0,1,1,0,0,0|2,0,0]=4 169 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)Br AIFCHEM-94589453636 [0,1,1,0,0,0|2,0,0]=4 170 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)Cl AIFCHEM-94554591586 [0,1,1,0,0,0|2,0,0]=4 171 B19R2.1283 CCCCCCCNc1nc2ccc(cc2s1)I AIFCHEM-94589454002 [0,1,1,0,0,0|2,0,0]=4 172 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Br AIFCHEM-94575436985 [0,1,1,0,0,0|2,0,0]=4 173 B19R2.1283 CCCCCCNCc1cc2cc(ccc2s1)Cl AIFCHEM-6129013902 [0,1,1,0,0,0|2,0,0]=4 174 B19R2.1283 CCCCCCNCc1cc2ccc(cc2s1)Br AIFCHEM-94575433694 [0,1,1,0,0,0|2,0,0]=4 175 B19R2.1288 CCCCCCC=Cc1nc2c(cccc2s1)C AIFCHEM-94560466619 [0,1,1,0,0,0|2,0,0]=4 176 B19R2.1288 CCCCCCC=Cc1nc2c(cccc2s1)F AIFCHEM-94560468351 [0,1,1,0,0,0|2,0,0]=4 177 B19R2.1288 CCCCCCC=Cc1nc2cccc(c2s1)F AIFCHEM-94560455621 [0,1,1,0,0,0|2,0,0]=4 178 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)Br AIFCHEM-94589455442 [0,1,1,0,0,0|2,0,0]=4 179 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)Cl AIFCHEM-94564101655 [0,1,1,0,0,0|2,0,0]=4 180 B19R2.1288 CCCCCCCNc1nc2c(cccc2s1)F AIFCHEM-94589455445 [0,1,1,0,0,0|2,0,0]=4 181 B19R2.1288 CCCCCCCNc1nc2cccc(c2s1)Br AIFCHEM-94589455444 [0,1,1,0,0,0|2,0,0]=4 182 B19R2.1288 CCCCCCCNc1nc2cccc(c2s1)Cl AIFCHEM-94589455441 [0,1,1,0,0,0|2,0,0]=4 183 B19R2.9156 CCCCCCNCc1sc2ccccc2c1Br AIFCHEM-6102712574 [0,1,1,0,0,0|2,0,0]=4 184 B19R2.13041 CCCCCCCC=Cc1nc2ccccc2s1 AIFCHEM-6387326645 [0,1,1,0,0,0|2,0,0]=4 185 B19R2.13041 CCCCCCCCNc1nc2ccccc2s1 AIFCHEM-94552850185 [0,1,1,0,0,0|2,0,0]=4 186 B19R2.13041 OCCCCCCNCc1cc2ccccc2s1 AIFCHEM-6499911981 [0,1,1,0,0,0|2,0,0]=4 187 B19R2.13041 OCCCCCCNCc1nc2ccccc2s1 AIFCHEM-6504085342 [0,1,1,0,0,0|1,0,0]=3 188 B19R2.13487 CN(C)CCCCNCc1nc2ccccc2s1 AIFCHEM-94602185284 [0,1,1,0,0,0|2,0,0]=4 189 B19R2.52042 CC(NCCCCCO)c1nc2ccccc2s1 AIFCHEM-94571081313 [0,1,1,0,0,0|2,0,0]=4 190 B19R3.6053 Cc1c(sc2c1cccc2)CNC3CCCC3 AIFCHEM-94542375374 [0,1,0,0,1,0|2,0,0]=4 191 B19R3.55731 Brc1ccc2cc(sc2c1)CNC3CCCC3 AIFCHEM-94542375001 [0,1,0,0,1,0|2,0,0]=4 192 B19R3.55731 Brc1ccc2sc(nc2c1)NCC3CCCC3 AIFCHEM-5693904755 [0,1,0,0,1,0|2,0,0]=4 193 B19R3.55731 Cc1ccc2nc(sc2c1)NCC3CCCC3 AIFCHEM-5703851031 [0,1,0,0,1,0|2,0,0]=4 194 B19R3.55731 Clc1ccc2nc([nH]c2c1)CNC3CCCC3 AIFCHEM-94541525272 [0,1,0,0,1,0|2,0,0]=4 195 B19R3.55731 Clc1ccc2nc(sc2c1)NCC3CCCC3 AIFCHEM-5957609380 [0,1,0,0,1,0|2,0,0]=4 196 B19R3.61636 CC1CCCC1NCc2nc3ccccc3[nH]2 AIFCHEM-94523011648 [0,1,0,0,1,0|2,0,0]=4 197 B19R3.61636 OC1CCCC1NCc2nc3ccccc3[nH]2 AIFCHEM-94581023623 [0,1,0,0,1,0|2,0,0]=4 198 B19R3.61636 O[C@@H]1CCC[C@@H]1NCc2nc3ccccc3[nH]2 AIFCHEM-6419112072 [0,1,0,0,1,0|2,0,0]=4 199 B19R3.61636 O[C@@H]1CCC[C@H]1NCc2nc3ccccc3[nH]2 AIFCHEM-94519724987 [0,1,0,0,1,0|2,0,0]=4 200 B19R3.61636 O[C@H]1CCC[C@@H]1NCc2nc3ccccc3[nH]2 AIFCHEM-6512214090 [0,1,0,0,1,0|2,0,0]=4 201 B19R3.61636 O[C@H]1CCC[C@H]1NCc2nc3ccccc3[nH]2 AIFCHEM-94584446299 [0,1,0,0,1,0|2,0,0]=4 202 B19R3.61636 O[C@H]1COC[C@@H]1NCc2nc3ccccc3s2 AIFCHEM-94606772007 [0,1,0,0,1,0|2,0,0]=4 203 B19R3.61636 O[C@H]1COC[C@H]1NCc2nc3ccccc3s2 AIFCHEM-6414659619 [0,1,0,0,1,0|2,0,0]=4 204 B19R3.150531 Cc1cccc2c1sc(n2)NCC3CCCC3 AIFCHEM-5830433614 [0,1,0,0,1,0|2,0,0]=4 205 B19R3.150531 Clc1cccc2c1nc(s2)NCC3CCCC3 AIFCHEM-94564107290 [0,1,0,0,1,0|2,0,0]=4 206 B19R3.150531 Fc1cccc2c1nc(s2)NCC3CCCC3 AIFCHEM-5912796757 [0,1,0,0,1,0|2,0,0]=4 207 B19R3.679979 C[C@@H](NC1CCCC1)c2nc3ccccc3[nH]2 AIFCHEM-94541519417 [0,1,0,0,1,0|2,0,0]=4 208 B19R3.679979 O=C(NC1CCCC1)c2nc3ccccc3s2 AIFCHEM-94542384958 [0,1,0,0,1,0|1,0,0]=3 209 B19R3.8304 Brc1cccc2c1sc(c2)NC3CCCCC3 AIFCHEM-94601795010 [0,1,0,0,1,0|1,0,0]=3 210 B19R3.54463 CC1CCCN(C1)Cc2nc3ccccc3s2 AIFCHEM-94534150891 [0,1,0,0,1,0|2,0,0]=4 211 B19R3.54463 C[C@@H]1CCCN(C1)Cc2nc3ccccc3s2 AIFCHEM-6067014495 [0,1,0,0,1,0|2,0,0]=4 212 B19R3.54463 C[C@H]1CCCN(C1)Cc2nc3ccccc3s2 AIFCHEM-94598398972 [0,1,0,0,1,0|2,0,0]=4 213 B19R3.88146 Brc1ccc2cc(nn2c1)NC3CCCCC3 AIFCHEM-94601787340 [0,1,0,0,1,0|2,0,0]=4 214 B19R3.88146 Brc1ccc2nc(cn2c1)NC3CCCCC3 AIFCHEM-94601799735 [0,1,0,0,1,0|2,0,0]=4 215 B19R3.171030 CC1COCCC1Nc2cc3ccccc3s2 AIFCHEM-6216220567 [0,1,0,0,1,0|2,0,0]=4 216 B19R3.171030 C[C@@H]1CCCCN1Cc2nc3ccccc3s2 AIFCHEM-5769182025 [0,1,0,0,1,0|2,0,0]=4 217 B19R3.171030 C[C@H]1CCCCN1Cc2nc3ccccc3s2 AIFCHEM-94588086780 [0,1,0,0,1,0|2,0,0]=4 218 B19R3.241821 CC1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-94595731125 [0,1,0,0,1,0|2,0,0]=4 219 B19R3.241821 OC1CCN(CC1)Cc2nc3ccccc3s2 AIFCHEM-94546657044 [0,1,0,0,1,0|2,0,0]=4 220 B21R3.24492 CN(Cc1cc2ccccc2cn1)C3CCCCC3 AIFCHEM-5618882963 [0,1,0,0,0,1|2,0,0]=4 221 B21R3.24492 CN(Cc1cnc2ccccc2n1)C3CCCCC3 AIFCHEM-5595831311 [0,1,0,0,0,1|2,0,0]=4 222 B21R3.30927 CC1CCC(CC1)NCc2cnc3ccccc3c2 AIFCHEM-94564648331 [0,1,0,0,0,1|2,0,0]=4 223 B21R3.30927 C[C@H]1CC[C@@H](CC1)NCc2cnc3ccccc3c2 AIFCHEM-6129931749 [0,1,0,0,0,1|2,0,0]=4 224 B21R3.30927 C[C@H]1CC[C@H](CC1)NCc2cnc3ccccc3c2 AIFCHEM-5986056976 [0,1,0,0,0,1|2,0,0]=4 225 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 AIFCHEM-5809971605 [0,1,0,0,0,1|2,0,0]=4 226 B21R3.218733 F[C@@H]1CCCC[C@H]1NCc2cnc3ccccc3n2 AIFCHEM-5873848205 [0,1,0,0,0,1|2,0,0]=4 227 B21R3.218733 OC1CCCCC1NCc2ccc3ccccc3n2 AIFCHEM-5846594252 [0,1,0,0,0,1|2,0,0]=4 228 B21R3.218733 O[C@@H]1CCCC[C@@H]1NCc2ccc3ccccc3n2 AIFCHEM-94582896579 [0,1,0,0,0,1|2,0,0]=4 229 B21R3.218733 O[C@@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 AIFCHEM-94543572750 [0,1,0,0,0,1|2,0,0]=4 230 B21R3.218733 O[C@H]1CCCC[C@@H]1NCc2ccc3ccccc3n2 AIFCHEM-94601851159 [0,1,0,0,0,1|2,0,0]=4 231 B21R3.218733 O[C@H]1CCCC[C@H]1NCc2ccc3ccccc3n2 AIFCHEM-6435916531 [0,1,0,0,0,1|2,0,0]=4 232 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3c2 AIFCHEM-6228901013 [0,1,0,0,0,1|2,0,0]=4 233 B21R3.469780 CC1CCCC(C1)NCc2cnc3ccccc3n2 AIFCHEM-6224819007 [0,1,0,0,0,1|2,0,0]=4 234 B21R3.469780 C[C@@H]1CCCC(C1)NCc2cnc3ccccc3c2 AIFCHEM-94588387581 [0,1,0,0,0,1|2,0,0]=4 235 B21R3.469780 OC1CCCC(C1)NCc2ccc3ccccc3n2 AIFCHEM-94599815460 [0,1,0,0,0,1|2,0,0]=4 236 B21R3.469780 OC1CCCC(C1)NCc2cnc3ccccc3c2 AIFCHEM-94599812209 [0,1,0,0,0,1|2,0,0]=4 237 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2ccc3ccccc3n2 AIFCHEM-6481347008 [0,1,0,0,0,1|2,0,0]=4 238 B21R3.469780 O[C@@H]1CCC[C@@H](C1)NCc2cnc3ccccc3c2 AIFCHEM-6431811481 [0,1,0,0,0,1|2,0,0]=4 239 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2ccc3ccccc3n2 AIFCHEM-6421176327 [0,1,0,0,0,1|2,0,0]=4 240 B21R3.469780 O[C@@H]1CCC[C@H](C1)NCc2cnc3ccccc3c2 AIFCHEM-6458208759 [0,1,0,0,0,1|2,0,0]=4 241 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2ccc3ccccc3n2 AIFCHEM-94549108430 [0,1,0,0,0,1|2,0,0]=4 242 B21R3.469780 O[C@H]1CCC[C@@H](C1)NCc2cnc3ccccc3c2 AIFCHEM-94549105179 [0,1,0,0,0,1|2,0,0]=4 243 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2ccc3ccccc3n2 AIFCHEM-6502348441 [0,1,0,0,0,1|2,0,0]=4 244 B21R3.469780 O[C@H]1CCC[C@H](C1)NCc2cnc3ccccc3c2 AIFCHEM-6499960125 [0,1,0,0,0,1|2,0,0]=4 245 B21R3.6681832 Clc1cccc2c1nc(cc2)CNC3CCCCC3 AIFCHEM-94551500381 [0,1,0,0,0,1|2,0,0]=4 246 B21R3.24408 CC(NCc1nc2ccccc2[nH]1)C3CCCCC3 AIFCHEM-94567371069 [0,1,0,0,0,1|2,0,0]=4 247 B21R3.24408 C[C@@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 AIFCHEM-94567560146 [0,1,0,0,0,1|2,0,0]=4 248 B21R3.24408 C[C@H](NCc1nc2ccccc2[nH]1)C3CCCCC3 AIFCHEM-94578246573 [0,1,0,0,0,1|2,0,0]=4 249 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCCOC3 AIFCHEM-6267200625 [0,1,0,0,0,1|2,0,0]=4 250 B21R3.24408 O=C(NCc1nc2ccccc2s1)C3CCSCC3 AIFCHEM-6219797866 [0,1,0,0,0,1|2,0,0]=4 251 B21R3.24408 O=C(NCc1nc2ccccc2s1)[C@H]3CCCOC3 AIFCHEM-6279826172 [0,1,0,0,0,1|2,0,0]=4 252 B21R3.154845 Brc1ccc2cc(sc2c1)CNCC3CCCCC3 AIFCHEM-5703286060 [0,1,0,0,0,1|2,0,0]=4 253 B21R3.154845 Brc1ccc2nc(sc2c1)NCCC3CCCCC3 AIFCHEM-6094403704 [0,1,0,0,0,1|2,0,0]=4 254 B21R3.154845 Brc1ccc2sc(nc2c1)NCCC3CCCCC3 AIFCHEM-5693928418 [0,1,0,0,0,1|2,0,0]=4 255 B21R3.154845 Clc1ccc2nc(sc2c1)NCCC3CCCCC3 AIFCHEM-5957612334 [0,1,0,0,0,1|2,0,0]=4 256 B21R3.154845 Clc1ccc2sc(cc2c1)CNCC3CCCCC3 AIFCHEM-5711755006 [0,1,0,0,0,1|2,0,0]=4 257 B21R3.154845 Clc1ccc2sc(nc2c1)NCCC3CCCCC3 AIFCHEM-6094591518 [0,1,0,0,0,1|2,0,0]=4 258 B21R3.154845 Fc1ccc2sc(nc2c1)NCCC3CCCCC3 AIFCHEM-5853500392 [0,1,0,0,0,1|2,0,0]=4 259 B21R3.393380 Brc1cccc2c1nc(s2)NCCC3CCCCC3 AIFCHEM-5977120819 [0,1,0,0,0,1|2,0,0]=4 260 B21R3.393380 Clc1cccc2c1nc(s2)NCCC3CCCCC3 AIFCHEM-5667669687 [0,1,0,0,0,1|2,0,0]=4 261 B21R3.393380 Clc1cccc2c1sc(n2)NCCC3CCCCC3 AIFCHEM-5732361120 [0,1,0,0,0,1|2,0,0]=4 262 B21R3.520681 O=C(Cc1nc2ccccc2[nH]1)NC3CCCCC3 AIFCHEM-5908138009 [0,1,0,0,0,1|2,0,0]=4 263 B21R3.660661 CC1CCC(CC1)NCCc2nc3ccccc3[nH]2 AIFCHEM-5768052382 [0,1,0,0,0,1|2,0,0]=4 264 B21R3.660661 OC1CCC(CC1)NCCc2nc3ccccc3[nH]2 AIFCHEM-5709782741 [0,1,0,0,0,1|2,0,0]=4 265 B21R3.660661 O[C@H]1CC[C@@H](CC1)CNCc2cc3ccccc3s2 AIFCHEM-6506126536 [0,1,0,0,0,1|2,0,0]=4 266 B21R3.660661 O[C@H]1CC[C@@H](CC1)CNCc2nc3ccccc3[nH]2 AIFCHEM-6512438941 [0,1,0,0,0,1|2,0,0]=4 267 B21R3.27502517 OC1(CCCCC1)CNCc2cc3ccccc3s2 AIFCHEM-94524049587 [0,1,0,0,0,1|2,0,0]=4 268 B21R3.27502517 OC1(CCCCC1)CNCc2nc3ccccc3[nH]2 AIFCHEM-94524049419 [0,1,0,0,0,1|2,0,0]=4 269 B21R3.248685 Brc1c(sc2c1cccc2)CNC3CCCCCC3 AIFCHEM-5605740660 [0,1,0,0,0,1|2,0,0]=4 270 B21R3.248685 Cc1c(sc2c1cccc2)CNC3CCCCCC3 AIFCHEM-5654677289 [0,1,0,0,0,1|2,0,0]=4 271 B21R3.8008928 CN(Cc1cc2ccccc2s1)C3CCCCCC3 AIFCHEM-94525027061 [0,1,0,0,0,1|2,0,0]=4 272 B21R3.8008928 CN(Cc1nc2ccccc2s1)C3CCCCCC3 AIFCHEM-5879322281 [0,1,0,0,0,1|1,0,0]=3 273 B21R3.8008928 O=C(Nc1nc2ccccc2s1)C3CCCCCC3 AIFCHEM-94552858229 [0,1,0,0,0,1|2,0,0]=4 274 B21R3.28029735 Brc1ccc2cc(sc2c1)CNC3CCCCCC3 AIFCHEM-5636594890 [0,1,0,0,0,1|2,0,0]=4 275 B21R3.28029735 Brc1ccc2sc(cc2c1)CNC3CCCCCC3 AIFCHEM-5654688752 [0,1,0,0,0,1|2,0,0]=4 276 B21R3.28029735 Clc1ccc2sc(cc2c1)CNC3CCCCCC3 AIFCHEM-5606076964 [0,1,0,0,0,1|2,0,0]=4 277 B21R3.7872 CC1CCCC(C1)NCc2sc3ccccc3c2Br AIFCHEM-6230258647 [0,2,0,0,0,0|2,0,0]=4 278 B21R3.8338 CC1CCCCC1NCc2sc3ccccc3c2Br AIFCHEM-5597518759 [0,2,0,0,0,0|2,0,0]=4 279 B21R3.8338 C[C@@H]1CCCC[C@@H]1NCc2sc3ccccc3c2Br AIFCHEM-5788729723 [0,2,0,0,0,0|2,0,0]=4 280 B21R3.8338 C[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Br AIFCHEM-5699775920 [0,2,0,0,0,0|2,0,0]=4 281 B21R3.8338 C[C@H]1CCCC[C@H]1NCc2sc3ccccc3c2Br AIFCHEM-94605781309 [0,2,0,0,0,0|2,0,0]=4 282 B21R3.8338 Cc1c(sc2c1cccc2)CN[C@@H]3CCCC[C@H]3F AIFCHEM-5864041567 [0,2,0,0,0,0|2,0,0]=4 283 B21R3.8338 F[C@@H]1CCCC[C@H]1NCc2sc3ccccc3c2Br AIFCHEM-5873790800 [0,2,0,0,0,0|2,0,0]=4 284 B21R3.13071 O=C(NC1CCCCC1)c2sc3ccccc3c2Br AIFCHEM-94539535231 [0,2,0,0,0,0|2,0,0]=4 285 B21R3.13081 CN(Cc1sc2ccccc2c1Br)C3CCCCC3 AIFCHEM-5664619256 [0,2,0,0,0,0|2,0,0]=4 286 B21R3.29713 CC1CCC(CC1)NCc2nc3ccccc3n2C AIFCHEM-5732731029 [0,2,0,0,0,0|2,0,0]=4 287 B21R3.29713 CC1CCC(CC1)NCc2sc3ccccc3c2Br AIFCHEM-94564647131 [0,2,0,0,0,0|2,0,0]=4 288 B21R3.29713 C[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Br AIFCHEM-6108902713 [0,2,0,0,0,0|2,0,0]=4 289 B21R3.29713 C[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Br AIFCHEM-5986037640 [0,2,0,0,0,0|2,0,0]=4 290 B21R3.29713 Cn1c(nc2c1cccc2)CNC3CCC(CC3)O AIFCHEM-6413260076 [0,2,0,0,0,0|2,0,0]=4 291 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)C AIFCHEM-6174008842 [0,2,0,0,0,0|2,0,0]=4 292 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@@H](CC3)O AIFCHEM-6501049062 [0,2,0,0,0,0|2,0,0]=4 293 B21R3.29713 Cn1c(nc2c1cccc2)CN[C@H]3CC[C@H](CC3)O AIFCHEM-94576261218 [0,2,0,0,0,0|2,0,0]=4 294 B21R3.29713 OC1CCC(CC1)NCc2sc3ccccc3c2Br AIFCHEM-94541024923 [0,2,0,0,0,0|2,0,0]=4 295 B21R3.29713 O[C@H]1CC[C@@H](CC1)NCc2sc3ccccc3c2Br AIFCHEM-94567001231 [0,2,0,0,0,0|2,0,0]=4 296 B21R3.29713 O[C@H]1CC[C@H](CC1)NCc2sc3ccccc3c2Br AIFCHEM-6479317298 [0,2,0,0,0,0|2,0,0]=4 297 B21R3.2502 CCN(Cc1cc2ccccc2s1)C3CCCCC3 AIFCHEM-5687652876 [0,2,0,0,0,0|2,0,0]=4 298 B21R3.154841 CN(Cc1cc2cc(ccc2s1)Br)C3CCCCC3 AIFCHEM-5618931402 [0,2,0,0,0,0|2,0,0]=4 299 B21R3.154841 CN(Cc1cc2cc(ccc2s1)Cl)C3CCCCC3 AIFCHEM-5657404733 [0,2,0,0,0,0|2,0,0]=4 300 B21R3.154841 CN(Cc1cc2ccc(cc2s1)Br)C3CCCCC3 AIFCHEM-5664628125 [0,2,0,0,0,0|2,0,0]=4 301 B21R3.154841 Cc1ccc2sc(nc2c1)NC(=O)C3CCCCC3 AIFCHEM-6228587989 [0,2,0,0,0,0|2,0,0]=4 302 B21R3.154841 O=C(Nc1nc2cc(ccc2s1)Br)C3CCCCC3 AIFCHEM-5783522902 [0,2,0,0,0,0|2,0,0]=4 303 B21R3.654672 CC1CCC(CC1)N(C)Cc2nc3ccccc3s2 AIFCHEM-5748812108 [0,2,0,0,0,0|1,0,0]=3 304 B21R3.654672 CN(Cc1nc2ccccc2[nH]1)C3CCC(CC3)F AIFCHEM-94526012629 [0,2,0,0,0,0|2,0,0]=4 305 B21R3.654672 CN(Cc1nc2ccccc2s1)C3CCC(CC3)O AIFCHEM-5748838778 [0,2,0,0,0,0|1,0,0]=3 306 B21R3.654672 CN(Cc1nc2ccccc2s1)[C@H]3CC[C@@H](CC3)O AIFCHEM-94580778960 [0,2,0,0,0,0|1,0,0]=3 307 B21R3.3965166 CC1CCCCC1N(C)Cc2nc3ccccc3s2 AIFCHEM-5755620914 [0,2,0,0,0,0|1,0,0]=3 308 B21R3.7433480 C[C@@H]1CCCC(C1)N(C)Cc2nc3ccccc3s2 AIFCHEM-94588384328 [0,2,0,0,0,0|1,0,0]=3 309 B21R3.7433480 O=C(Nc1nc2ccccc2s1)C3CCCC(C3)O AIFCHEM-94552863185 [0,2,0,0,0,0|2,0,0]=4 310 B21R3.7433480 O=C(Nc1nc2ccccc2s1)[C@H]3CCC[C@H](C3)O AIFCHEM-94552859969 [0,2,0,0,0,0|2,0,0]=4 311 B21R3.14886901 CN(C(=O)c1nc2ccccc2s1)C3CCSCC3 AIFCHEM-94608316874 [0,2,0,0,0,0|2,0,0]=4 312 B21R3.8712 CC1CCC(C(C1)NCc2cc3ccccc3s2)C AIFCHEM-6062928731 [0,2,0,0,0,0|2,0,0]=4 313 B21R3.67358 CSC1CCCC(C1)NCc2nc3ccccc3[nH]2 AIFCHEM-94567367935 [0,2,0,0,0,0|2,0,0]=4 314 B21R3.223553 CC1(CC(CCO1)NCc2nc3ccccc3s2)C AIFCHEM-5654520720 [0,2,0,0,0,0|2,0,0]=4 315 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Br AIFCHEM-6204169484 [0,2,0,0,0,0|2,0,0]=4 316 B21R3.469754 CC1CCCC(C1)NCc2cc3cc(ccc3s2)Cl AIFCHEM-6203529038 [0,2,0,0,0,0|2,0,0]=4 317 B21R3.469754 CC1CCCC(C1)NCc2cc3ccc(cc3s2)Br AIFCHEM-6230395195 [0,2,0,0,0,0|2,0,0]=4 318 B21R3.7440939 CC(N[C@H]1CCC[C@@H](C1)O)c2nc3ccccc3o2 AIFCHEM-94549104724 [0,2,0,0,0,0|1,1,0]=4 319 B21R3.7440939 CC1CC(CCO1)NC(C)c2nc3ccccc3s2 AIFCHEM-94571078059 [0,2,0,0,0,0|2,0,0]=4 320 B21R3.21352 Cc1cc2sc(nc2cc1Cl)NCC3CCCCC3 AIFCHEM-94532474334 [0,2,0,0,0,0|2,0,0]=4 321 B21R3.21352 Fc1cc2sc(nc2cc1Br)NCC3CCCCC3 AIFCHEM-5726845711 [0,2,0,0,0,0|2,0,0]=4 322 B21R3.30898 CC1CCC(CC1)NCc2cc3cc(ccc3s2)Br AIFCHEM-94564652580 [0,2,0,0,0,0|2,0,0]=4 323 B21R3.30898 CC1CCC(CC1)NCc2cc3cc(ccc3s2)Cl AIFCHEM-94564650139 [0,2,0,0,0,0|2,0,0]=4 324 B21R3.30898 CC1CCC(CC1)NCc2cc3ccc(cc3s2)Br AIFCHEM-94564649289 [0,2,0,0,0,0|2,0,0]=4 325 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Br AIFCHEM-6108692035 [0,2,0,0,0,0|2,0,0]=4 326 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3cc(ccc3s2)Cl AIFCHEM-6173996220 [0,2,0,0,0,0|2,0,0]=4 327 B21R3.30898 C[C@H]1CC[C@@H](CC1)NCc2cc3ccc(cc3s2)Br AIFCHEM-94605977405 [0,2,0,0,0,0|2,0,0]=4 328 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Br AIFCHEM-5963018017 [0,2,0,0,0,0|2,0,0]=4 329 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2cc3cc(ccc3s2)Cl AIFCHEM-5963088533 [0,2,0,0,0,0|2,0,0]=4 330 B21R3.30898 C[C@H]1CC[C@H](CC1)NCc2cc3ccc(cc3s2)Br AIFCHEM-5946799241 [0,2,0,0,0,0|2,0,0]=4 331 B21R3.30898 OC1CCC(CC1)NCc2cc3ccc(cc3s2)Br AIFCHEM-6394395463 [0,2,0,0,0,0|2,0,0]=4 332 B21R3.30898 O[C@H]1CC[C@@H](CC1)NCc2cc3ccc(cc3s2)Br AIFCHEM-6505181054 [0,2,0,0,0,0|2,0,0]=4 333 B21R3.30898 O[C@H]1CC[C@H](CC1)NCc2cc3ccc(cc3s2)Br AIFCHEM-6456793857 [0,2,0,0,0,0|2,0,0]=4 334 B21R3.71105 COc1ccc2cc(sc2c1)CNC3CCCCC3 AIFCHEM-94560371068 [0,2,0,0,0,0|2,0,0]=4 335 B21R3.71105 COc1ccc2nc(sc2c1)NCC3CCCCC3 AIFCHEM-6252514020 [0,2,0,0,0,0|2,0,0]=4 336 B21R3.71105 COc1ccc2sc(nc2c1)NCC3CCCCC3 AIFCHEM-6228352761 [0,2,0,0,0,0|2,0,0]=4 337 B21R3.71105 N#Cc1ccc2nc(sc2c1)C=CC3CCCCC3 AIFCHEM-6478251696 [0,2,0,0,0,0|2,0,0]=4 338 B21R3.154829 O=C(NC1CCCCC1)c2cc3cc(ccc3s2)F AIFCHEM-5973432654 [0,2,0,0,0,0|2,0,0]=4 339 B21R3.154829 O=C(NC1CCCCC1)c2cc3ccc(cc3s2)Cl AIFCHEM-94539534904 [0,2,0,0,0,0|2,0,0]=4 340 B21R3.154829 O=C(NC1CCCCC1)c2nc3cc(ccc3s2)Cl AIFCHEM-94560383136 [0,2,0,0,0,0|1,0,0]=3 341 B21R3.154829 O=C(NC1CCOCC1)c2nc3cc(ccc3s2)Cl AIFCHEM-94574403638 [0,2,0,0,0,0|2,0,0]=4 342 B21R3.154829 O=C(NC1CCSCC1)c2nc3cc(ccc3s2)Cl AIFCHEM-94574191076 [0,2,0,0,0,0|2,0,0]=4 343 B21R3.154830 Cc1ccc2sc(nc2c1Br)NCC3CCCCC3 AIFCHEM-5724839590 [0,2,0,0,0,0|2,0,0]=4 344 B21R3.154830 Clc1ccc2nc(sc2c1Cl)NCC3CCCCC3 AIFCHEM-5758603206 [0,2,0,0,0,0|2,0,0]=4 345 B21R3.475880 Brc1cc(c2nc(sc2c1)NCC3CCCCC3)Br AIFCHEM-5819594695 [0,2,0,0,0,0|2,0,0]=4 346 B21R3.475880 Clc1cc(c2nc(sc2c1)NCC3CCCCC3)Cl AIFCHEM-5896984420 [0,2,0,0,0,0|2,0,0]=4 347 B21R3.475880 Clc1cc(c2sc(nc2c1)NCC3CCCCC3)Cl AIFCHEM-5841156946 [0,2,0,0,0,0|2,0,0]=4 348 B21R3.475880 Fc1cc(c2nc(sc2c1)NCC3CCCCC3)Br AIFCHEM-5701300825 [0,2,0,0,0,0|2,0,0]=4 349 B21R3.475880 Fc1cc(cc2c1nc(s2)NCC3CCCCC3)Br AIFCHEM-5643360823 [0,2,0,0,0,0|2,0,0]=4 350 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Br AIFCHEM-5677143522 [0,2,0,0,0,0|2,0,0]=4 351 B21R3.3871600 CC1CCCCC1NCc2cc3cc(ccc3s2)Cl AIFCHEM-5677202692 [0,2,0,0,0,0|2,0,0]=4 352 B21R3.3871600 CC1CCCCC1NCc2cc3ccc(cc3s2)Br AIFCHEM-5645323079 [0,2,0,0,0,0|2,0,0]=4 353 B21R3.3871600 CC1CCCCC1NCc2nc3ccc(cc3[nH]2)Cl AIFCHEM-6171602191 [0,2,0,0,0,0|2,0,0]=4 354 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2cc3cc(ccc3s2)Br AIFCHEM-5874693444 [0,2,0,0,0,0|2,0,0]=4 355 B21R3.3871600 C[C@@H]1CCCC[C@@H]1NCc2cc3cc(ccc3s2)Cl AIFCHEM-5852110212 [0,2,0,0,0,0|2,0,0]=4 356 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br AIFCHEM-5747674708 [0,2,0,0,0,0|2,0,0]=4 357 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl AIFCHEM-5699754849 [0,2,0,0,0,0|2,0,0]=4 358 B21R3.3871600 C[C@@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br AIFCHEM-5765310920 [0,2,0,0,0,0|2,0,0]=4 359 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br AIFCHEM-94605786758 [0,2,0,0,0,0|2,0,0]=4 360 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Cl AIFCHEM-94605784317 [0,2,0,0,0,0|2,0,0]=4 361 B21R3.3871600 C[C@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br AIFCHEM-94605783467 [0,2,0,0,0,0|2,0,0]=4 362 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3cc(ccc3s2)Br AIFCHEM-5828544105 [0,2,0,0,0,0|2,0,0]=4 363 B21R3.3871600 F[C@@H]1CCCC[C@H]1NCc2cc3ccc(cc3s2)Br AIFCHEM-5810146354 [0,2,0,0,0,0|2,0,0]=4 364 B21R3.3871600 Fc1ccc2nc([nH]c2c1)CN[C@@H]3CCCC[C@H]3F AIFCHEM-5828418664 [0,2,0,0,0,0|2,0,0]=4 365 B21R3.3871600 OC1CCCCC1NCc2nc3ccc(cc3[nH]2)F AIFCHEM-94571783655 [0,2,0,0,0,0|2,0,0]=4 366 B21R3.3871600 O[C@@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)F AIFCHEM-94582898228 [0,2,0,0,0,0|2,0,0]=4 367 B21R3.3871600 O[C@@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)F AIFCHEM-94562032428 [0,2,0,0,0,0|2,0,0]=4 368 B21R3.3871600 O[C@H]1CCCC[C@@H]1NCc2nc3ccc(cc3[nH]2)F AIFCHEM-6445234457 [0,2,0,0,0,0|2,0,0]=4 369 B21R3.3871600 O[C@H]1CCCC[C@H]1NCc2nc3ccc(cc3[nH]2)F AIFCHEM-6431612543 [0,2,0,0,0,0|2,0,0]=4 370 B21R3.21603 CC1CCCC(C1NCc2nc3ccccc3s2)C AIFCHEM-6266578482 [0,2,0,0,0,0|1,0,0]=3 371 B21R3.75855 CCC1CCCCC1NCc2nc3ccccc3s2 AIFCHEM-6244526725 [0,2,0,0,0,0|1,0,0]=3 372 B21R3.218709 OC1CCCCC1NCc2nc3c(cccc3[nH]2)F AIFCHEM-6074561941 [0,2,0,0,0,0|2,0,0]=4 373 B21R3.3957577 CC(NC1CCOCC1C)c2nc3ccccc3s2 AIFCHEM-94571078051 [0,2,0,0,0,0|2,0,0]=4 374 B21R3.3957577 CC(N[C@@H]1CCCC[C@@H]1C)c2nc3ccccc3o2 AIFCHEM-94605782054 [0,2,0,0,0,0|1,1,0]=4 375 B21R3.3957577 CC(N[C@H]1CCOC[C@@H]1O)c2nc3ccccc3s2 AIFCHEM-94542599455 [0,2,0,0,0,0|2,0,0]=4 376 B21R3.3957577 O=C(NC1CCCCC1=O)c2nc3ccccc3s2 AIFCHEM-5695678339 [0,2,0,0,0,0|1,0,1]=4 377 B21R3.3957577 O=C(N[C@@H]1CCCC[C@H]1F)c2nc3ccccc3[nH]2 AIFCHEM-94536049101 [0,2,0,0,0,0|2,0,0]=4 378 B21R3.30899 CC1CCC(CC1)NCc2nc3c(cccc3[nH]2)F AIFCHEM-6074486540 [0,2,0,0,0,0|2,0,0]=4 379 B21R3.432556 Clc1ccc(c2c1nc(s2)NCC3CCCCC3)Cl AIFCHEM-5981767390 [0,2,0,0,0,0|2,0,0]=4 380 B21R3.432556 Fc1ccc(c2c1sc(n2)NCC3CCCCC3)Br AIFCHEM-6017400854 [0,2,0,0,0,0|2,0,0]=4 381 B21R3.727906 COc1cccc2c1nc(s2)NCC3CCCCC3 AIFCHEM-5788412441 [0,2,0,0,0,0|2,0,0]=4 382 B21R3.727906 COc1cccc2c1sc(n2)NCC3CCCCC3 AIFCHEM-6277558121 [0,2,0,0,0,0|2,0,0]=4 383 B21R3.659958 CC(N[C@H]1CC[C@@H](CC1)C)c2nc3ccccc3[nH]2 AIFCHEM-94605981686 [0,2,0,0,0,0|2,0,0]=4 384 B21R3.659958 CC1CCC(CC1)N[C@H](C)c2nc3ccccc3[nH]2 AIFCHEM-5997682205 [0,2,0,0,0,0|2,0,0]=4 385 B21R3.659958 C[C@H]1CC[C@H](CC1)NC(=O)c2nc3ccccc3s2 AIFCHEM-5963268672 [0,2,0,0,0,0|1,0,0]=3 386 B21R3.9705 CCC1CCC(CC1)NCc2nc3ccccc3s2 AIFCHEM-5934212800 [0,2,0,0,0,0|1,0,0]=3 387 B21R3.9705 COC1CCC(CC1)NCc2nc3ccccc3[nH]2 AIFCHEM-6081929807 [0,2,0,0,0,0|2,0,0]=4 388 B21R3.9705 CO[C@H]1CC[C@@H](CC1)NCc2nc3ccccc3[nH]2 AIFCHEM-5693834058 [0,2,0,0,0,0|2,0,0]=4 389 B21R3.9705 CO[C@H]1CC[C@H](CC1)NCc2nc3ccccc3[nH]2 AIFCHEM-94529020168 [0,2,0,0,0,0|2,0,0]=4 390 B21R3.9705 OCC1CCC(CC1)NCc2cc3ccccc3s2 AIFCHEM-6024165745 [0,2,0,0,0,0|2,0,0]=4 391 B21R3.9705 OC[C@H]1CC[C@@H](CC1)NCc2cc3ccccc3s2 AIFCHEM-6511249173 [0,2,0,0,0,0|2,0,0]=4 392 B21R3.9705 OC[C@H]1CC[C@H](CC1)NCc2cc3ccccc3s2 AIFCHEM-6510889423 [0,2,0,0,0,0|2,0,0]=4 393 B21R3.198480 CC1(CCC(CC1)NCc2nc3ccccc3s2)C AIFCHEM-94588550843 [0,2,0,0,0,0|1,0,0]=3 394 B21R3.198480 FC1(CCC(CC1)NCc2cc3ccccc3s2)F AIFCHEM-6101868616 [0,2,0,0,0,0|2,0,0]=4 395 B21R3.16819414 N#CC1(CCCCC1)NCc2nc3ccccc3[nH]2 AIFCHEM-94584564631 [0,2,0,0,0,0|2,0,0]=4 396 B21R3.16819414 OCC1(CCOCC1)NCc2nc3ccccc3s2 AIFCHEM-94565741357 [0,2,0,0,0,0|2,0,0]=4 397 B19R3.202284 CC(NCc1cc2ccccc2s1)C3CCC3 AIFCHEM-6024182930 [0,0,1,1,0,0|2,0,0]=4 398 B19R3.202284 CC(NCc1nc2ccccc2[nH]1)C3CCC3 AIFCHEM-94523014377 [0,0,1,1,0,0|2,0,0]=4 399 B19R3.19192 c1ccc2[nH]c(nc2c1)CNCC3CCCC3 AIFCHEM-94567371316 [0,0,1,1,0,0|2,0,0]=4 400 B19R3.19192 c1ccc2sc(cc2c1)CNCC3CCCC3 AIFCHEM-94573916550 [0,0,1,1,0,0|2,0,0]=4 401 B21R4.14522055 c1ccc2ncc(cc2c1)CN3C4CCC3CC4 AIFCHEM-5640875393 [0,0,0,1,0,1|2,0,0]=4 402 B21R4.14529191 c1ccc2[nH]c(nc2c1)CN3CC4CCC3CC4 AIFCHEM-5918366015 [0,0,0,1,0,1|2,0,0]=4 403 B21R4.14529190 c1ccc2sc(cc2c1)CN3C4CCC3COC4 AIFCHEM-5920679988 [0,0,0,1,0,1|2,0,0]=4 404 B21R4.14529190 c1ccc2sc(nc2c1)CN3C4CCCC3CC4 AIFCHEM-6151112801 [0,0,0,1,0,1|1,0,0]=3 405 B21R4.14529205 c1ccc2[nH]c(nc2c1)CNC3CCCC4C3C4 AIFCHEM-94523015885 [0,0,0,1,0,1|2,0,0]=4 406 B21R4.14529205 c1ccc2sc(cc2c1)CNC3CCCC4C3C4 AIFCHEM-6056050233 [0,0,0,1,0,1|2,0,0]=4 407 B21R4.308468 Cn1c(nc2c1cccc2)CNC3CC4CC4C3 AIFCHEM-94553009570 [0,1,0,1,0,0|2,0,0]=4 408 B21R4.308468 Cn1c(nc2c1cccc2)CNC3C[C@@H]4C[C@@H]4C3 AIFCHEM-5721809490 [0,1,0,1,0,0|2,0,0]=4 409 B21R4.308762 Brc1c(sc2c1cccc2)CN3C4CCC3CC4 AIFCHEM-5660620072 [0,1,0,1,0,0|2,0,0]=4 410 B21R4.50803508 O=C(NC1C2C1COC2)c3nc4ccccc4s3 AIFCHEM-6124693279 [0,1,0,1,0,0|2,0,0]=4 411 B21R4.50803508 O=C(N[C@H]1[C@H]2[C@@H]1COC2)c3nc4ccccc4s3 AIFCHEM-5822391011 [0,1,0,1,0,0|2,0,0]=4 412 B21R4.50829715 C[C@@H](NC1CCC2C1C2)c3nc4ccccc4[nH]3 AIFCHEM-6071091300 [0,1,0,1,0,0|2,0,0]=4 413 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3s2 AIFCHEM-6387443180 [0,0,0,0,2,0|1,0,1]=4 414 B17R3.8685 c1ccc2sc(cc2c1)NC3CCCC3 AIFCHEM-94541527520 [0,0,0,0,2,0|1,0,0]=3 415 B17R3.8685 c1ccc2sc(cc2c1)NC3CCOC3 AIFCHEM-6236899354 [0,0,0,0,2,0|2,0,0]=4 416 B17R3.123689 c1ccc2[nH]c(nc2c1)CNC3CCC3 AIFCHEM-94576055629 [0,0,0,0,2,0|2,0,0]=4 417 B17R3.123689 c1ccc2sc(nc2c1)CNC3CCC3 AIFCHEM-5765858675 [0,0,0,0,2,0|1,0,0]=3 418 B19R2.1477 CCCC[C@@H](C)NCc1cc2ccccc2cn1 AIFCHEM-94596952648 [0,0,1,0,0,1|2,0,0]=4 419 B19R2.1289 CCCCCCNCc1cnc2ccccc2n1 AIFCHEM-94571762932 [0,0,1,0,0,1|2,0,0]=4 420 B21R3.47750 c1ccc2nc(cnc2c1)CNCC3CCCCC3 AIFCHEM-5752864130 [0,0,0,0,0,2|2,0,0]=4 421 B21R3.2154364 c1ccc2nc(ccc2c1)CNC3CCCCCC3 AIFCHEM-94529608389 [0,0,0,0,0,2|2,0,0]=4 422 B21R3.2429969 c1ccc2sc(cc2c1)CCNCC3CCCCC3 AIFCHEM-6178287082 [0,0,0,0,0,2|2,0,0]=4 423 B21R3.2429969 c1ccc2sc(nc2c1)CNCCC3CCSCC3 AIFCHEM-94581181314 [0,0,0,0,0,2|2,0,0]=4 424 B21R3.2154918 c1ccc2sc(cc2c1)CNC3CCCCCCC3 AIFCHEM-6056117648 [0,0,0,0,0,2|2,0,0]=4 425 B21R3.2154918 c1ccc2sc(nc2c1)NCC3CCCCCCC3 AIFCHEM-94592427451 [0,0,0,0,0,2|2,0,0]=4