0 B13R2.1069 Brc1ccc(cn1)NC2CCC2 AIFCHEM-94576046988 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1069 Cc1ccc(cc1)C=C2CCC2 AIFCHEM-6300128800 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.1069 Cc1ccc(cc1)NC2CCC2 AIFCHEM-94547752397 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.1069 Cc1ccc(cn1)NC2CSC2 AIFCHEM-6007696048 [0,0,0,0,0,0|3,1,0]=4 4 B13R2.1069 Cc1ccc(nc1)NC2CCC2 AIFCHEM-94576048504 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1069 Clc1ccc(cc1)NC2CCC2 AIFCHEM-94576050178 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.1069 Clc1ccc(cc1)NC2CSC2 AIFCHEM-94586004340 [0,0,0,0,0,0|2,1,0]=3 7 B13R2.1069 Ic1ccc(cc1)CN2CCC2 AIFCHEM-94604920136 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.1069 Ic1ccc(cc1)NC2CCC2 AIFCHEM-94576054902 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.1069 Ic1ccc(nc1)NC2CCC2 AIFCHEM-94576050255 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.1069 Oc1ccc(cc1)NC2COC2 AIFCHEM-94596156929 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.2058 c1cncc(c1)NC2CCC2 AIFCHEM-94531001888 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.2058 c1cncc(c1)NC2COC2 AIFCHEM-94531006465 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.331 COc1ccc(cc1)NC2CCC2 AIFCHEM-94577699951 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.331 COc1ccc(cc1)NC2COC2 AIFCHEM-6141845488 [0,1,0,0,0,0|2,0,0]=3 16 B14R2.331 CSc1ccc(cn1)NC2COC2 AIFCHEM-5802530984 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.331 NCc1ccc(cc1)C=C2CCC2 AIFCHEM-94549220651 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.331 OCc1ccc(cc1)NC2CCC2 AIFCHEM-94576055915 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.331 OCc1ccc(cn1)NC2COC2 AIFCHEM-5927556101 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.947 CN1CC(C1)Nc2ccc(cc2)Cl AIFCHEM-94586003825 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.947 CN1CC(C1)Nc2ccc(cc2)O AIFCHEM-94574878662 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.947 Oc1ccc(cc1)NC2CC(C2)O AIFCHEM-94596153432 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.10606 Cc1ccc(cc1)N(C)C2CCC2 AIFCHEM-94576055916 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.10607 Cc1cc(ccc1Cl)NC2CCC2 AIFCHEM-94583424346 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.10607 Cc1cc(cnc1C)NC2COC2 AIFCHEM-6218255368 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.10607 Cc1ccc(cc1C)NC2CCC2 AIFCHEM-94576057188 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.10607 Cc1ccc(cc1I)NC2COC2 AIFCHEM-5784294395 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.10607 Cc1ccc(cc1O)NC2CCC2 AIFCHEM-94576051962 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.10607 Clc1cc(ccc1Br)NC2CCC2 AIFCHEM-94576050615 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.10607 Clc1ccc(cc1Cl)NC2COC2 AIFCHEM-94563319826 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.10607 Fc1cc(ccc1Br)NC2CCC2 AIFCHEM-94576056371 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.10607 Fc1cc(ccc1I)NC2CCC2 AIFCHEM-94576056372 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.10607 Fc1ccc(cc1F)NC2COC2 AIFCHEM-94519569260 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.10607 Oc1ccc(cc1Br)NC2CCC2 AIFCHEM-94576048833 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.10607 Oc1ccc(cc1Br)NC2COC2 AIFCHEM-5885100860 [0,1,0,0,0,0|2,0,0]=3 36 B14R2.10607 Oc1ccc(cc1Cl)NC2CCC2 AIFCHEM-94576053408 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.10607 Oc1ccc(cc1Cl)NC2CSC2 AIFCHEM-5777142032 [0,1,0,0,0,0|2,1,0]=4 38 B14R2.10607 Oc1ccc(cc1F)NC2COC2 AIFCHEM-5603965244 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.10607 Oc1ccc(cc1O)NC2CCC2 AIFCHEM-94576048409 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.30090 Cc1cc(ccc1NC2CCC2)O AIFCHEM-94576051966 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.30090 Cc1cc(ccc1NC2COC2)Cl AIFCHEM-5762800372 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.30090 Cc1cc(ccc1NC2COC2)F AIFCHEM-6200176456 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.30090 Cc1ccc(c(c1)Br)NC2CCC2 AIFCHEM-94576055438 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.30090 Cc1ccc(c(c1)C)NC2CCC2 AIFCHEM-94576059772 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.30090 Cc1ccc(c(c1)C)NC2COC2 AIFCHEM-94585830720 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.30090 Cc1ccc(c(c1)Cl)NC2CCC2 AIFCHEM-94576055821 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.30090 Fc1cc(ccc1NC2CCC2)I AIFCHEM-94576052122 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.30090 Nc1ccc(c(c1)N)C=C2CCC2 AIFCHEM-6382954319 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.30090 Oc1ccc(c(c1)O)NC2CCC2 AIFCHEM-94576052806 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.1 CCCCNc1ccc(cc1)C AIFCHEM-94523028188 [0,0,1,0,0,0|3,0,0]=4 51 B12R1.1 CCCCNc1ccc(cc1)F AIFCHEM-94523042368 [0,0,1,0,0,0|3,0,0]=4 52 B12R1.1 COCC=Cc1ccc(cc1)F AIFCHEM-6359501464 [0,0,1,0,0,0|2,0,1]=4 53 B12R1.49 CC(CO)Nc1ccc(cc1)F AIFCHEM-94552015989 [0,0,1,0,0,0|2,0,0]=3 54 B12R1.49 Cc1ccc(cn1)NC(C)CO AIFCHEM-6030935790 [0,0,1,0,0,0|3,0,0]=4 55 B14R2.72 Clc1ccc(cc1)NC2CCOC2 AIFCHEM-6065179117 [0,0,0,0,0,1|2,0,0]=3 56 B14R2.10626 Brc1ccc(cc1)CNC2COC2 AIFCHEM-5597590809 [0,0,0,0,0,1|2,0,0]=3 57 B14R2.10626 Cc1ccc(cc1)CNC2CSC2 AIFCHEM-5899006568 [0,0,0,0,0,1|2,1,0]=4 58 B14R2.10626 Cc1ccc(cc1)NCC2CCC2 AIFCHEM-94584227624 [0,0,0,0,0,1|3,0,0]=4 59 B14R2.10626 Clc1ccc(cc1)CNC2CCC2 AIFCHEM-5765691182 [0,0,0,0,0,1|3,0,0]=4 60 B14R2.10626 Oc1ccc(cc1)CNC2COC2 AIFCHEM-5674443154 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [1,0,1,0,0,0|2,0,0]=4 62 B13R1.371 COCC=Cc1ccc(cc1)CN AIFCHEM-94549220165 [0,1,1,0,0,0|1,0,1]=4 63 B13R1.5 CC(CO)Nc1ccc(cc1)CO AIFCHEM-6387174164 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.5 CCc1ccc(cc1)NC(C)CO AIFCHEM-5786194468 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.5 COc1ccc(cc1)NC(C)CO AIFCHEM-94577699851 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.145 CCC(CO)Nc1ccc(cc1)C AIFCHEM-94584228700 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.2679 CC(CO)Nc1ccc(cc1O)F AIFCHEM-5763726708 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO AIFCHEM-94583424246 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.2879 Cc1cc(ccc1F)NC(C)CO AIFCHEM-5814471132 [0,1,1,0,0,0|2,0,0]=4 70 B13R2.3021 Cc1cccc(c1)NC2COC2 AIFCHEM-6122882906 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.3021 Fc1cccc(c1)NC2COC2 AIFCHEM-94579353785 [1,1,0,0,0,0|1,0,0]=3 72 B13R2.5225 Cc1ccccc1NC2COC2 AIFCHEM-94578146858 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.5225 Oc1ccccc1NC2CCC2 AIFCHEM-94591817362 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.5225 Oc1ccccc1NC2COC2 AIFCHEM-94521338319 [1,1,0,0,0,0|1,0,0]=3 75 B15R2.34 COc1ccc(cc1)NC2CCOC2 AIFCHEM-94577701981 [0,1,0,0,0,1|2,0,0]=4 76 B15R2.92 Cc1ccc(cc1Br)NC2CCOC2 AIFCHEM-5673851653 [0,1,0,0,0,1|2,0,0]=4 77 B15R2.92 Oc1ccc(cc1F)NC2CCOC2 AIFCHEM-5650627241 [0,1,0,0,0,1|2,0,0]=4 78 B15R2.92 Oc1ccc(cc1O)NC2CCOC2 AIFCHEM-5858871419 [0,1,0,0,0,1|2,0,0]=4 79 B15R2.98 Cc1ccc(cc1)NC2COC(=O)C2 AIFCHEM-94547755909 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.1154 Oc1cc(ccc1NC2CCOC2)Cl AIFCHEM-6236288499 [0,1,0,0,0,1|2,0,0]=4 81 B15R2.1510 CC1OCCC1Nc2ccc(cc2)Cl AIFCHEM-94586005006 [0,1,0,0,0,1|2,0,0]=4 82 B15R2.1510 CC1OCCC1Nc2ccc(cc2)F AIFCHEM-5929165012 [0,1,0,0,0,1|2,0,0]=4 83 B15R2.1510 Cc1ccc(cc1)NC2CCOC2C AIFCHEM-94547755024 [0,1,0,0,0,1|2,0,0]=4 84 B15R2.446 CCc1ccc(cc1)CNC2COC2 AIFCHEM-94539432954 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.18973 Cc1cc(ccc1Cl)CNC2COC2 AIFCHEM-94539428923 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.18973 Cc1ccc(cc1F)CNC2COC2 AIFCHEM-5694891729 [0,1,0,0,0,1|2,0,0]=4 87 B15R2.18973 Oc1cc(ccc1F)CNC2COC2 AIFCHEM-5762608032 [0,1,0,0,0,1|2,0,0]=4 88 B15R2.18973 Oc1ccc(cc1O)CNC2COC2 AIFCHEM-94539430205 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.18979 CC(NC1COC1)c2ccc(cc2)Cl AIFCHEM-5913877137 [0,1,0,0,0,1|2,0,0]=4 90 B15R2.18979 CC(NC1COC1)c2ccc(cc2)I AIFCHEM-94575777482 [0,1,0,0,0,1|2,0,0]=4 91 B15R2.18979 C[C@@H](NC1COC1)c2ccc(cc2)Cl AIFCHEM-94600892179 [0,1,0,0,0,1|2,0,0]=4 92 B15R2.18979 C[C@@H](NC1COC1)c2ccc(cc2)I AIFCHEM-94570821243 [0,1,0,0,0,1|2,0,0]=4 93 B15R2.18979 C[C@@H](NC1COC1)c2ccc(cc2)O AIFCHEM-5597458532 [0,1,0,0,0,1|2,0,0]=4 94 B15R2.18979 C[C@H](NC1COC1)c2ccc(cc2)Cl AIFCHEM-94563416526 [0,1,0,0,0,1|2,0,0]=4 95 B15R2.18979 C[C@H](NC1COC1)c2ccc(cc2)I AIFCHEM-6095423968 [0,1,0,0,0,1|2,0,0]=4 96 B15R2.18979 C[C@H](NC1COC1)c2ccc(cc2)O AIFCHEM-6032296169 [0,1,0,0,0,1|2,0,0]=4 97 B15R2.18979 Cc1ccc(cc1)C(=O)NC2COC2 AIFCHEM-94539445098 [0,1,0,0,0,1|2,0,0]=4 98 B15R2.18979 Cc1ccc(cc1)C(C)NC2COC2 AIFCHEM-5992965374 [0,1,0,0,0,1|2,0,0]=4 99 B15R2.18979 Cc1ccc(cc1)[C@@H](C)NC2COC2 AIFCHEM-5879725269 [0,1,0,0,0,1|2,0,0]=4 100 B15R2.18979 Cc1ccc(cc1)[C@H](C)NC2COC2 AIFCHEM-94526455225 [0,1,0,0,0,1|2,0,0]=4 101 B15R2.19022 Cc1ccc(cc1)CN(C)C2COC2 AIFCHEM-94587975109 [0,1,0,0,0,1|2,0,0]=4 102 B15R2.43839 Brc1cc(ccc1CNC2COC2)I AIFCHEM-5714293297 [0,1,0,0,0,1|2,0,0]=4 103 B15R2.43839 Cc1cc(ccc1CNC2COC2)Cl AIFCHEM-5744589934 [0,1,0,0,0,1|2,0,0]=4 104 B15R2.43839 Cc1cc(ccc1CNC2COC2)O AIFCHEM-94539432728 [0,1,0,0,0,1|2,0,0]=4 105 B15R2.43839 Cc1ccc(c(c1)F)CNC2COC2 AIFCHEM-94539430385 [0,1,0,0,0,1|2,0,0]=4 106 B15R2.43839 Cc1ccc(c(c1)O)CNC2COC2 AIFCHEM-5762600190 [0,1,0,0,0,1|2,0,0]=4 107 B15R2.43839 Oc1cc(ccc1CNC2COC2)Br AIFCHEM-94527569733 [0,1,0,0,0,1|2,0,0]=4 108 B15R2.43839 Oc1cc(ccc1CNC2COC2)Cl AIFCHEM-5783730207 [0,1,0,0,0,1|2,0,0]=4 109 B15R2.43839 Oc1cc(ccc1CNC2COC2)F AIFCHEM-5744614773 [0,1,0,0,0,1|2,0,0]=4 110 B15R2.43839 Oc1cc(ccc1CNC2COC2)I AIFCHEM-94539432534 [0,1,0,0,0,1|2,0,0]=4 111 B15R2.43839 Oc1ccc(c(c1)O)CNC2COC2 AIFCHEM-94539435415 [0,1,0,0,0,1|2,0,0]=4 112 B15R2.16219 CN(C)c1ccc(cc1)NC2CCC2 AIFCHEM-94576050258 [0,2,0,0,0,0|2,0,0]=4 113 B15R2.16219 CN(C)c1ccc(cc1)NC2COC2 AIFCHEM-94533783897 [0,2,0,0,0,0|1,0,0]=3 114 B15R2.28321 CCc1ccc(cc1Cl)NC2COC2 AIFCHEM-6272236554 [0,2,0,0,0,0|2,0,0]=4 115 B15R2.28321 COc1ccc(cc1C)NC2COC2 AIFCHEM-5740035069 [0,2,0,0,0,0|2,0,0]=4 116 B15R2.28321 COc1ccc(cc1Cl)NC2COC2 AIFCHEM-94602539664 [0,2,0,0,0,0|2,0,0]=4 117 B15R2.28321 COc1ccc(cc1O)NC2COC2 AIFCHEM-5684025424 [0,2,0,0,0,0|2,0,0]=4 118 B15R2.28321 OCc1ccc(cc1Br)NC2COC2 AIFCHEM-94601455793 [0,2,0,0,0,0|2,0,0]=4 119 B15R2.28321 OCc1ccc(cc1Cl)NC2COC2 AIFCHEM-6383998300 [0,2,0,0,0,0|2,0,0]=4 120 B15R2.91950 COc1ccc(c(c1)C)NC2COC2 AIFCHEM-5601723336 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.91950 COc1ccc(c(c1)F)NC2COC2 AIFCHEM-6245338296 [0,2,0,0,0,0|2,0,0]=4 122 B15R2.91950 COc1ccc(c(c1)O)NC2COC2 AIFCHEM-5869932053 [0,2,0,0,0,0|2,0,0]=4 123 B15R2.91950 OCc1ccc(c(c1)F)NC2COC2 AIFCHEM-6469325493 [0,2,0,0,0,0|2,0,0]=4 124 B15R2.126 CCN1CC(C1)Oc2ccc(cc2)Br AIFCHEM-94537414979 [0,2,0,0,0,0|2,0,0]=4 125 B15R2.126 CCN1CC(C1)Oc2ccc(cc2)F AIFCHEM-94544531679 [0,2,0,0,0,0|2,0,0]=4 126 B15R2.15603 Cc1cc(c(cc1Br)NC2COC2)C AIFCHEM-6270817113 [0,2,0,0,0,0|2,0,0]=4 127 B15R2.15603 Cc1cc(c(cc1F)NC2COC2)F AIFCHEM-6098538921 [0,2,0,0,0,0|2,0,0]=4 128 B15R2.15603 Oc1cc(c(cc1NC2COC2)Br)Cl AIFCHEM-5884525094 [0,2,0,0,0,0|2,0,0]=4 129 B15R2.15603 Oc1cc(c(cc1NC2COC2)F)Br AIFCHEM-5737947103 [0,2,0,0,0,0|2,0,0]=4 130 B15R2.30442 CCc1cc(ccc1Br)NC2COC2 AIFCHEM-5824508979 [0,2,0,0,0,0|2,0,0]=4 131 B15R2.30442 COc1cc(ccc1O)NC2COC2 AIFCHEM-5608209927 [0,2,0,0,0,0|2,0,0]=4 132 B15R2.65819 Cc1ccc(c(c1C)C)NC2COC2 AIFCHEM-6147396283 [0,2,0,0,0,0|2,0,0]=4 133 B15R2.65819 Cc1ccc(c(c1I)C)NC2COC2 AIFCHEM-6167743136 [0,2,0,0,0,0|2,0,0]=4 134 B15R2.19966 COc1cc(ccc1NC2COC2)Br AIFCHEM-6049537114 [0,2,0,0,0,0|2,0,0]=4 135 B15R2.19966 COc1cc(ccc1NC2COC2)I AIFCHEM-5700154481 [0,2,0,0,0,0|2,0,0]=4 136 B13R2.2383 c1ccc(cc1)CNC2COC2 AIFCHEM-94539149906 [1,0,0,0,0,1|1,0,0]=3 137 B15R2.29 Clc1ccc(cc1)NC2CCOCC2 AIFCHEM-6069170978 [0,0,0,0,0,2|2,0,0]=4 138 B15R2.100 Brc1ccc(cc1)CNC2CCOC2 AIFCHEM-5965530152 [0,0,0,0,0,2|2,0,0]=4 139 B15R2.100 Brc1ccc(cc1)CN[C@@H]2CCOC2 AIFCHEM-94564362497 [0,0,0,0,0,2|2,0,0]=4 140 B15R2.100 Brc1ccc(cc1)CN[C@H]2CCOC2 AIFCHEM-5819644341 [0,0,0,0,0,2|2,0,0]=4 141 B15R2.100 Clc1ccc(cc1)NCC2CCOC2 AIFCHEM-5990782711 [0,0,0,0,0,2|2,0,0]=4 142 B15R2.100 Fc1ccc(cc1)NCC2CCOC2 AIFCHEM-94552021176 [0,0,0,0,0,2|2,0,0]=4 143 B15R2.100 Ic1ccc(cc1)CNC2CCOC2 AIFCHEM-6175109492 [0,0,0,0,0,2|2,0,0]=4 144 B15R2.100 Ic1ccc(cc1)CN[C@@H]2CCOC2 AIFCHEM-5859132350 [0,0,0,0,0,2|2,0,0]=4 145 B15R2.100 Ic1ccc(cc1)CN[C@H]2CCOC2 AIFCHEM-94585467487 [0,0,0,0,0,2|2,0,0]=4 146 B15R2.19027 Brc1ccc(cc1)CNCC2COC2 AIFCHEM-5924525059 [0,0,0,0,0,2|2,0,0]=4 147 B15R2.19027 Cc1ccc(cc1)CCNC2COC2 AIFCHEM-5714570876 [0,0,0,0,0,2|2,0,0]=4 148 B15R2.19027 Fc1ccc(cc1)CCNC2COC2 AIFCHEM-5783762317 [0,0,0,0,0,2|2,0,0]=4 149 B15R2.19027 Oc1ccc(cc1)CNCC2COC2 AIFCHEM-5895005886 [0,0,0,0,0,2|2,0,0]=4