0 B12R1.35 C#CCCNC(=O)c1cccs1 AIFCHEM-6065914358 [0,0,0,0,0,0|1,1,2]=4 1 B12R1.35 CCCCNC(=O)c1c[nH]cn1 AIFCHEM-5736589410 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.35 CCCCNC(=O)c1cc[nH]c1 AIFCHEM-94570985296 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.35 CCCCNC(=O)c1nc[nH]n1 AIFCHEM-94570982292 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.35 COCCNC(=O)c1ccn[nH]1 AIFCHEM-6039137312 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.35 COCCNC(=O)c1ccoc1 AIFCHEM-6016830800 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.35 COCCNC(=O)c1cncs1 AIFCHEM-5990597662 [0,0,0,0,0,0|3,1,0]=4 7 B12R1.35 COCCNC(=O)c1cscn1 AIFCHEM-6039137308 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.35 CSCCNC(=O)c1c[nH]cn1 AIFCHEM-5813808251 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.35 CSCCNC(=O)c1cc[nH]c1 AIFCHEM-94598934371 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.35 CSCCNC(=O)c1ccno1 AIFCHEM-94598929002 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.35 CSCCNC(=O)c1ccns1 AIFCHEM-94598925299 [0,0,0,0,0,0|3,1,0]=4 12 B12R1.35 N#CCCNC(=O)c1ccc[nH]1 AIFCHEM-5695111198 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.35 N#CCCNC(=O)c1cccs1 AIFCHEM-5717948296 [0,0,0,0,0,0|2,1,1]=4 14 B12R1.35 N#CCCNC(=O)c1ccno1 AIFCHEM-5754129216 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.4 CCCCC=Cc1ccoc1 AIFCHEM-6202894001 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.4 CCCCC=Cc1ccon1 AIFCHEM-6444523912 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.4 CCCCCNc1ccon1 AIFCHEM-94551428350 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.4 CCCCNCc1cccs1 AIFCHEM-94523039677 [1,0,0,0,0,0|1,1,1]=4 19 B11R1.4 CCCCNCc1ncco1 AIFCHEM-94523028020 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.29 CCCNC(=O)c1cc[nH]n1 AIFCHEM-94576494631 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.29 CCCNC(=O)c1ccco1 AIFCHEM-94521381097 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.29 CCCNC(=O)c1ccno1 AIFCHEM-5791444319 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.29 CCCNC(=O)c1cncs1 AIFCHEM-5791023939 [1,0,0,0,0,0|2,1,0]=4 24 B11R1.29 CCCNC(=O)c1nccs1 AIFCHEM-94521374375 [1,0,0,0,0,0|2,1,0]=4 25 B11R1.29 O=C(NCCF)c1ccc[nH]1 AIFCHEM-5802205843 [1,0,0,0,0,0|3,0,0]=4 26 B13R1.23 C#CCCNC(=O)c1ccc(o1)Br AIFCHEM-6065862270 [0,1,0,0,0,0|1,0,2]=4 27 B13R1.23 C#CCCNC(=O)c1ccc(o1)C AIFCHEM-5991957910 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.23 CC#CCNC(=O)c1ccc(o1)Cl AIFCHEM-5719681067 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.23 CCCCNC(=O)c1cc(c[nH]1)Cl AIFCHEM-94570980802 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.23 CCCCNC(=O)c1cc(cs1)Br AIFCHEM-94570978792 [0,1,0,0,0,0|1,1,0]=3 31 B13R1.23 CCCCNC(=O)c1cc(n[nH]1)Br AIFCHEM-94545111851 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.23 CCCCNC(=O)c1cc(no1)Br AIFCHEM-94570983572 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.23 CCCCNC(=O)c1cnc(o1)C AIFCHEM-5745130216 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.23 CCCCNC(=O)c1csc(c1)C AIFCHEM-94570979405 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.23 CCCCNC(=O)c1nc(c[nH]1)C AIFCHEM-5746018181 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.23 CCCCN[C@H](C)c1ccc(o1)C AIFCHEM-94523034443 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.23 COCCNC(=O)c1cc(c[nH]1)Cl AIFCHEM-6016731531 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.23 COCCNC(=O)c1cc(co1)Br AIFCHEM-6048848122 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.23 COCCNC(=O)c1ccc([nH]1)C AIFCHEM-6058445756 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.23 COCCNC(=O)c1ccc(s1)I AIFCHEM-5991222934 [0,1,0,0,0,0|2,1,0]=4 41 B13R1.23 CSCCNC(=O)c1cc(cs1)Br AIFCHEM-94598927867 [0,1,0,0,0,0|2,1,0]=4 42 B13R1.23 CSCCNC(=O)c1cc(no1)O AIFCHEM-5875040486 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.23 CSCCNC(=O)c1ccc(s1)Br AIFCHEM-5874875674 [0,1,0,0,0,0|2,1,0]=4 44 B13R1.33 CCCC(C)NC(=O)c1ccco1 AIFCHEM-94560485059 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.33 CCCC(C)NC(=O)c1cncs1 AIFCHEM-94560478511 [0,1,0,0,0,0|2,1,0]=4 46 B13R1.33 CCCC(C)NC(=O)c1nccs1 AIFCHEM-94560478337 [0,1,0,0,0,0|2,1,0]=4 47 B13R1.33 CCC[C@@H](C)NC(=O)c1ccco1 AIFCHEM-6081762490 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.33 CCC[C@@H](C)NC(=O)c1cncs1 AIFCHEM-6032397654 [0,1,0,0,0,0|2,1,0]=4 49 B13R1.33 CCC[C@@H](C)NC(=O)c1nccs1 AIFCHEM-6081794209 [0,1,0,0,0,0|2,1,0]=4 50 B13R1.33 CCC[C@H](C)NC(=O)c1ccco1 AIFCHEM-5614005860 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.33 CCC[C@H](C)NC(=O)c1cncs1 AIFCHEM-5613951980 [0,1,0,0,0,0|2,1,0]=4 52 B13R1.33 CCC[C@H](C)NC(=O)c1nccs1 AIFCHEM-5683660202 [0,1,0,0,0,0|2,1,0]=4 53 B13R1.33 COCC(C)NC(=O)c1ccno1 AIFCHEM-6068272973 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.33 COC[C@@H](C)NC(=O)c1ccno1 AIFCHEM-94601271183 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.33 COC[C@H](C)NC(=O)c1ccno1 AIFCHEM-94572805882 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.48 C#CCCCNC(=O)c1ccc[nH]1 AIFCHEM-5770225730 [0,1,0,0,0,0|1,0,2]=4 57 B13R1.48 C#CCCCNC(=O)c1cccs1 AIFCHEM-94570160760 [0,1,0,0,0,0|0,1,2]=4 58 B13R1.48 CCCCCNC(=O)C1CC=CC1 AIFCHEM-94522664588 [0,1,0,0,0,0|1,0,2]=4 59 B13R1.48 CCCCCNC(=O)c1ccc[nH]1 AIFCHEM-94552831413 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.48 CCCCCNC(=O)c1ccoc1 AIFCHEM-94522662700 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.48 CCCCCNC(=O)c1ncc[nH]1 AIFCHEM-94552826623 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.48 CCCCCNC(=O)c1nccs1 AIFCHEM-94522658493 [0,1,0,0,0,0|1,1,0]=3 63 B13R1.48 CCCCCNC(C)c1ncco1 AIFCHEM-94522655430 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.48 CCOCCNC(=O)c1cc[nH]c1 AIFCHEM-94548618342 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.48 CCOCCNC(=O)c1ccno1 AIFCHEM-94548612973 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.48 CCOCCNC(=O)c1cnco1 AIFCHEM-94548609967 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.48 CCSCCNC(=O)c1ccc[nH]1 AIFCHEM-6034096054 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.48 CCSCCNC(=O)c1cccs1 AIFCHEM-6033782386 [0,1,0,0,0,0|1,1,0]=3 69 B13R1.48 CCSCCNC(=O)c1ccn[nH]1 AIFCHEM-6033315816 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.48 COCCCNC(=O)c1c[nH]cn1 AIFCHEM-94598892577 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.48 COCCCNC(=O)c1ccns1 AIFCHEM-5593164848 [0,1,0,0,0,0|2,1,0]=4 72 B13R1.48 COCCCNC(=O)c1cocn1 AIFCHEM-5645132635 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.48 CSCCCNC(=O)c1ccc[nH]1 AIFCHEM-94529064420 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.118 CCCCNC(CC)c1ccco1 AIFCHEM-94523035197 [0,1,0,0,0,0|2,0,1]=4 75 B13R1.162 CCC(C)CCC(=O)N1CC=CC1 AIFCHEM-6106514413 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.162 CCC(C)CNC(=O)c1cc[nH]c1 AIFCHEM-94534485569 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.162 CCC(C)CNC(=O)c1ccoc1 AIFCHEM-94534482550 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.162 CCC(C)CNC(=O)c1ccon1 AIFCHEM-94534481419 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.162 CCC(C)CNC(=O)c1nccs1 AIFCHEM-94534478343 [0,1,0,0,0,0|2,1,0]=4 80 B13R1.162 CCC(F)CNC(=O)c1ccns1 AIFCHEM-5839798887 [0,1,0,0,0,0|2,1,0]=4 81 B13R1.162 CCC(F)CNC(=O)c1cnco1 AIFCHEM-5879538171 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.166 CCCCC(C)C(=O)N1CC=CC1 AIFCHEM-6127048532 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.166 COCCN(C)C(=O)c1ccco1 AIFCHEM-6018911776 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.166 CSCCN(C)C(=O)c1ccco1 AIFCHEM-94607193698 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.166 CSCCN(C)C(=O)c1ccno1 AIFCHEM-94607188833 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.342 CC(=CCNC(=O)c1ccco1)C AIFCHEM-5932917059 [0,1,0,0,0,0|1,0,2]=4 87 B13R1.342 CC(=O)CCNC(=O)c1cccs1 AIFCHEM-6193529832 [0,1,0,0,0,0|1,1,1]=4 88 B13R1.342 CC(=O)CCNC(=O)c1ccno1 AIFCHEM-6215054841 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.342 CC(=O)CCNC(=O)c1cnco1 AIFCHEM-6218669779 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.342 CC(C)CCNC(=O)c1cscn1 AIFCHEM-6094110736 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.342 O=C(NCCC(F)F)c1cnco1 AIFCHEM-6213822956 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.725 CCCCNC(=O)c1ccoc1Br AIFCHEM-94570979558 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.725 CCCCNC(=O)c1nc[nH]c1Br AIFCHEM-5737180959 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.725 CCCCNC(=O)c1ncsc1C AIFCHEM-94570977000 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.725 CCCCNC(=O)c1sccc1F AIFCHEM-94570981180 [0,1,0,0,0,0|1,1,0]=3 96 B13R1.725 CCCCNC(=O)c1sccc1I AIFCHEM-5696133927 [0,1,0,0,0,0|1,1,0]=3 97 B13R1.725 COCCNC(=O)c1sccc1Cl AIFCHEM-6017102930 [0,1,0,0,0,0|2,1,0]=4 98 B13R1.725 COCCNC(=O)c1sccc1I AIFCHEM-5990679201 [0,1,0,0,0,0|2,1,0]=4 99 B13R1.725 CSCCNC(=O)c1cccn1C AIFCHEM-5874938980 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.725 CSCCNC(=O)c1sccc1F AIFCHEM-94598930255 [0,1,0,0,0,0|2,1,0]=4 101 B13R1.725 N#CCCNC(=O)c1occc1Br AIFCHEM-5694328865 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.13 CN1CCC=C(C1)c2ccco2 AIFCHEM-94557632711 [0,0,0,1,0,0|2,0,1]=4 103 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2c[nH]cn2 AIFCHEM-94559012363 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2ccoc2 AIFCHEM-94559018216 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2ccon2 AIFCHEM-94559017085 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.195 C[C@@H]1C[C@H]1NC(=O)c2nccs2 AIFCHEM-94559014009 [0,0,0,1,0,0|2,1,0]=4 107 B13R2.405 CC1CCN1C(=O)c2ccno2 AIFCHEM-6124975566 [0,0,0,1,0,0|2,0,0]=3 108 B13R2.405 CC1CCN1C(=O)c2ncc[nH]2 AIFCHEM-6182938230 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.405 C[C@@H]1CCN1C(=O)c2ccno2 AIFCHEM-6261847779 [0,0,0,1,0,0|2,0,0]=3 110 B13R2.405 C[C@@H]1CCN1C(=O)c2cncs2 AIFCHEM-6234577505 [0,0,0,1,0,0|2,1,0]=4 111 B13R2.405 C[C@@H]1CCN1C(=O)c2cocn2 AIFCHEM-6275787797 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.405 C[C@@H]1CCN1C(=O)c2ncc[nH]2 AIFCHEM-6231727689 [0,0,0,1,0,0|3,0,0]=4 113 B13R2.405 C[C@H]1CCN1C(=O)c2cncs2 AIFCHEM-5760429060 [0,0,0,1,0,0|2,1,0]=4 114 B13R2.405 C[C@H]1CCN1C(=O)c2cocn2 AIFCHEM-5711681961 [0,0,0,1,0,0|3,0,0]=4 115 B13R2.405 C[C@H]1CCN1C(=O)c2ncc[nH]2 AIFCHEM-5711140390 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.443 CC(NCC1CC1)c2ccco2 AIFCHEM-94592469162 [0,0,0,1,0,0|2,0,1]=4 117 B13R2.443 C[C@@H](NCC1CC1)c2ccco2 AIFCHEM-6016116684 [0,0,0,1,0,0|2,0,1]=4 118 B13R2.443 O=C(NCC1CC1)c2cc[nH]n2 AIFCHEM-94576505116 [0,0,0,1,0,0|3,0,0]=4 119 B13R2.445 C[C@@H](NC1CCC1)c2ccco2 AIFCHEM-94576054728 [0,0,0,1,0,0|2,0,1]=4 120 B13R2.445 O=C(NC1CCC1)c2ccc[nH]2 AIFCHEM-5771786484 [0,0,0,1,0,0|2,0,0]=3 121 B13R2.445 O=C(NC1CCC1)c2ccn[nH]2 AIFCHEM-5688521455 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.445 O=C(NC1CCC1)c2ccon2 AIFCHEM-94537773904 [0,0,0,1,0,0|3,0,0]=4 123 B13R2.445 O=C(NC1CCC1)c2cscn2 AIFCHEM-5738414247 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.445 O=C(NC1COC1)c2cccs2 AIFCHEM-5763163335 [0,0,0,1,0,0|2,1,0]=4 125 B13R2.445 O=C(NC1CSC1)c2cccs2 AIFCHEM-5920841958 [0,0,0,1,0,0|2,1,0]=4 126 B13R2.674 O=C(c1ccc[nH]1)N2CCSC2 AIFCHEM-5684319583 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.674 O=C(c1cnco1)N2CCSC2 AIFCHEM-94586214004 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.677 C1=C(CCCCC1)c2ncc[nH]2 AIFCHEM-6477287250 [0,0,0,1,0,0|3,0,0]=4 129 B13R1.24 CCCCCN(C)c1ccccc1 AIFCHEM-94551422681 [0,0,0,0,0,1|3,0,0]=4 130 B13R1.24 CCCCNC(=O)c1ccnnc1 AIFCHEM-5695722382 [0,0,0,0,0,1|3,0,0]=4 131 B13R1.24 COCCNC(=O)c1ccccn1 AIFCHEM-94578913846 [0,0,0,0,0,1|3,0,0]=4 132 B13R1.156 CCCCCC(=O)NC1CC=CC1 AIFCHEM-94585557997 [0,0,0,0,0,1|1,0,2]=4 133 B13R1.156 CCCCCC(=O)Nc1cn[nH]c1 AIFCHEM-94585552081 [0,0,0,0,0,1|3,0,0]=4 134 B13R1.156 CCCCCN(C)Cc1ccco1 AIFCHEM-94537394947 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.156 CCCCNC(=O)Cc1cnc[nH]1 AIFCHEM-5751725380 [0,0,0,0,0,1|3,0,0]=4 136 B13R1.156 CCCOCC(=O)Nc1ccn[nH]1 AIFCHEM-94519998317 [0,0,0,0,0,1|3,0,0]=4 137 B13R1.156 CCCOCC(=O)Nc1ccsc1 AIFCHEM-94568874532 [0,0,0,0,0,1|3,0,0]=4 138 B13R1.156 CCCOCC(=O)Nc1nnco1 AIFCHEM-6227570993 [0,0,0,0,0,1|3,0,0]=4 139 B13R1.156 COCCNC(=O)Cc1ccc[nH]1 AIFCHEM-94593327613 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.156 COCCNC(=O)Cc1cccs1 AIFCHEM-6039593040 [0,0,0,0,0,1|2,1,0]=4 141 B10R1.21 CCCC=Cc1cccs1 AIFCHEM-94564040480 [2,0,0,0,0,0|0,1,1]=4 142 B10R1.21 CCCC=Cc1ncco1 AIFCHEM-6486072646 [2,0,0,0,0,0|1,0,1]=4 143 B10R1.21 CCCCNc1ncco1 AIFCHEM-94523038147 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.21 CCCNCc1cnco1 AIFCHEM-94521366295 [2,0,0,0,0,0|2,0,0]=4 146 B12R1.7 CCCCNCc1ccc(o1)Cl AIFCHEM-94570971877 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.7 CCCCNCc1ccc(o1)I AIFCHEM-94570972324 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.37 CCCCCC=Cc1cccs1 AIFCHEM-94564040572 [1,1,0,0,0,0|0,1,0]=3 149 B12R1.37 CCCCCC=Cc1cscn1 AIFCHEM-6333129405 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.37 CCCCCC=Cc1ncco1 AIFCHEM-6399015052 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.37 CCCCCNCc1cccs1 AIFCHEM-94562634994 [1,1,0,0,0,0|0,1,1]=4 152 B12R1.37 CSCCCNCc1ccco1 AIFCHEM-94546183170 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.37 OCCCCCNc1ccno1 AIFCHEM-6120165514 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.51 CCCC(C)NCc1ccco1 AIFCHEM-94557345122 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.51 CCC[C@@H](C)NCc1ccco1 AIFCHEM-94540076933 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.51 CCC[C@H](C)NCc1ccco1 AIFCHEM-94540083968 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.372 CCCCNCc1occc1Br AIFCHEM-94570970900 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.29 CCCNC(=O)c1cc(c[nH]1)F AIFCHEM-5793711670 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.29 CCCNC(=O)c1cc(cs1)Br AIFCHEM-94521375097 [1,1,0,0,0,0|1,1,0]=4 160 B12R1.29 CCCNC(=O)c1cc(cs1)Cl AIFCHEM-5791053990 [1,1,0,0,0,0|1,1,0]=4 161 B12R1.29 CCCNC(=O)c1cc(no1)C AIFCHEM-5791651388 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.29 O=C(NCCF)c1ccc(o1)Cl AIFCHEM-5861864565 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.54 CC(C)CNC(=O)c1ccco1 AIFCHEM-6162410015 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.55 CCCN(C)C(=O)c1ccc[nH]1 AIFCHEM-5809442663 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.55 CCCN(C)C(=O)c1ccno1 AIFCHEM-5825307865 [1,1,0,0,0,0|2,0,0]=4 166 B14R1.20 CCCCNC(=O)c1cc(=O)cco1 AIFCHEM-5736708211 [0,1,0,0,0,1|1,0,0]=3 167 B14R1.20 CCCCNC(=O)c1cncc(n1)Br AIFCHEM-5736639676 [0,1,0,0,0,1|2,0,0]=4 168 B14R1.29 CCCC(C)NC(=O)c1cccnc1 AIFCHEM-94560483380 [0,1,0,0,0,1|2,0,0]=4 169 B14R1.29 CCC[C@H](C)NC(=O)c1cccnc1 AIFCHEM-5613853602 [0,1,0,0,0,1|2,0,0]=4 170 B14R1.38 CCCCCNC(=O)c1ccccn1 AIFCHEM-94578913901 [0,1,0,0,0,1|1,0,0]=3 171 B14R1.38 CCSCCNC(=O)c1cccnn1 AIFCHEM-94566124697 [0,1,0,0,0,1|2,0,0]=4 172 B14R1.38 CCSCCNC(=O)c1ccncc1 AIFCHEM-94566127503 [0,1,0,0,0,1|2,0,0]=4 173 B14R1.38 COCCCNC(=O)c1ccccc1 AIFCHEM-94565577789 [0,1,0,0,0,1|2,0,0]=4 174 B14R1.163 CCC(C)CNC(=O)c1cnccn1 AIFCHEM-94534485828 [0,1,0,0,0,1|2,0,0]=4 175 B14R1.163 CCC(F)CNC(=O)c1cccnc1 AIFCHEM-5859474210 [0,1,0,0,0,1|2,0,0]=4 176 B14R1.163 CCC(F)CNC(=O)c1ccncc1 AIFCHEM-5879444328 [0,1,0,0,0,1|2,0,0]=4 177 B14R1.163 CCC(F)CNC(=O)c1cnccn1 AIFCHEM-5879486322 [0,1,0,0,0,1|2,0,0]=4 178 B14R1.163 CCC(F)CNC(=O)c1ncccn1 AIFCHEM-5839262061 [0,1,0,0,0,1|2,0,0]=4 179 B14R1.420 CC(C)CCNC(=O)c1cccnn1 AIFCHEM-6135462285 [0,1,0,0,0,1|2,0,0]=4 180 B14R1.420 CC(C)CCNC(=O)c1ccncc1 AIFCHEM-6135956601 [0,1,0,0,0,1|2,0,0]=4 181 B14R1.1035 CCCCNC(=O)c1c[nH]ccc1=O AIFCHEM-5751890371 [0,1,0,0,0,1|2,0,0]=4 182 B14R1.1035 CCCCNC(=O)c1ccncc1I AIFCHEM-5745628126 [0,1,0,0,0,1|2,0,0]=4 183 B14R1.92 C#CCCCCC(=O)Nc1ncco1 AIFCHEM-6186846813 [0,1,0,0,0,1|1,0,1]=4 184 B14R1.92 CCCCCCC(=O)Nc1ccsc1 AIFCHEM-94521988609 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.92 CCCCCCC(=O)Nc1nnco1 AIFCHEM-94521987778 [0,1,0,0,0,1|2,0,0]=4 186 B14R1.92 CCCCCNC(=O)Cn1cccc1 AIFCHEM-94522659834 [0,1,0,0,0,1|2,0,0]=4 187 B14R1.92 CCCCCNC(=O)Cn1cccn1 AIFCHEM-94552826618 [0,1,0,0,0,1|2,0,0]=4 188 B14R1.92 CCCCOCC(=O)Nc1nnco1 AIFCHEM-6227366944 [0,1,0,0,0,1|2,0,0]=4 189 B14R1.92 CCOCCNC(=O)Cc1cccs1 AIFCHEM-94548612462 [0,1,0,0,0,1|1,1,0]=4 190 B14R1.92 COCCCNC(=O)Cc1ccco1 AIFCHEM-94598896930 [0,1,0,0,0,1|1,0,0]=3 191 B14R1.92 COCCCNC(=O)Cc1cccs1 AIFCHEM-5663835051 [0,1,0,0,0,1|1,1,0]=4 192 B14R1.92 COCCOCC(=O)Nc1ccno1 AIFCHEM-6093031729 [0,1,0,0,0,1|2,0,0]=4 193 B14R1.107 CCCCCC(=O)N(C)c1ccsc1 AIFCHEM-94556443255 [0,1,0,0,0,1|2,0,0]=4 194 B14R1.157 CCCCCC(=O)Nc1nc(cs1)Cl AIFCHEM-94585554219 [0,1,0,0,0,1|1,1,0]=4 195 B14R1.157 CCCCCN(C)Cc1ccc(o1)Cl AIFCHEM-6170095972 [0,1,0,0,0,1|2,0,0]=4 196 B14R1.157 CCCCNC(=O)Cc1ccc(s1)Br AIFCHEM-5745484714 [0,1,0,0,0,1|1,1,0]=4 197 B14R1.454 CCCCC(C)C(=O)Nc1cncs1 AIFCHEM-5592268213 [0,1,0,0,0,1|1,1,0]=4 198 B14R1.621 CCCC(C)CC(=O)Nc1cncs1 AIFCHEM-5591635371 [0,1,0,0,0,1|1,1,0]=4 199 B14R1.621 CCCC(C)CC(=O)Nc1nccs1 AIFCHEM-94524295271 [0,1,0,0,0,1|1,1,0]=4 200 B14R1.621 CCSC(C)CC(=O)Nc1ccno1 AIFCHEM-6114296763 [0,1,0,0,0,1|2,0,0]=4 201 B14R1.621 CCSC(C)CC(=O)Nc1ncco1 AIFCHEM-6196524685 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.731 CCC(C)CCC(=O)Nc1ncc[nH]1 AIFCHEM-5663014932 [0,1,0,0,0,1|2,0,0]=4 203 B14R1.731 CCC(C)CCC(=O)Nc1ncco1 AIFCHEM-6196316607 [0,1,0,0,0,1|1,0,0]=3 204 B14R1.731 CCC(C)CNC(=O)Cc1ccc[nH]1 AIFCHEM-94534484578 [0,1,0,0,0,1|2,0,0]=4 205 B14R1.731 CO[C@@H](C)CNC(=O)Cc1ccco1 AIFCHEM-94588790872 [0,1,0,0,0,1|2,0,0]=4 206 B14R1.731 CO[C@H](C)CNC(=O)Cc1ccco1 AIFCHEM-94608846966 [0,1,0,0,0,1|2,0,0]=4 207 B14R1.810 CC(C)CCCC(=O)Nc1cscn1 AIFCHEM-94557127994 [0,1,0,0,0,1|2,0,0]=4 208 B14R1.810 CC(C)CCNC(=O)Cc1cccs1 AIFCHEM-6095350108 [0,1,0,0,0,1|1,1,0]=4 209 B14R1.810 CC(C)COCC(=O)Nc1ncco1 AIFCHEM-6235379396 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.28 CCCC(C)NC(=O)c1cc(c[nH]1)Cl AIFCHEM-94560481069 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.28 CCCC(C)NC(=O)c1cc(c[nH]1)F AIFCHEM-94560482477 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.28 CCCC(C)NC(=O)c1ccc(s1)Br AIFCHEM-94560484235 [0,2,0,0,0,0|1,1,0]=4 213 B14R1.28 CCC[C@@H](C)NC(=O)c1cc(c[nH]1)Cl AIFCHEM-6081722215 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.28 CCC[C@@H](C)NC(=O)c1ccc(s1)Br AIFCHEM-6011355688 [0,2,0,0,0,0|1,1,0]=4 215 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)Cl AIFCHEM-5638704039 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.28 CCC[C@H](C)NC(=O)c1cc(c[nH]1)F AIFCHEM-5614519330 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.28 CCC[C@H](C)NC(=O)c1ccc(s1)Br AIFCHEM-5628885202 [0,2,0,0,0,0|1,1,0]=4 218 B14R1.37 CCCCCNC(=O)c1c[nH]c(=O)[nH]1 AIFCHEM-94552829769 [0,2,0,0,0,0|2,0,0]=4 219 B14R1.37 CCCCCNC(=O)c1cc(cs1)C AIFCHEM-94552826120 [0,2,0,0,0,0|0,1,0]=3 220 B14R1.37 CCCCCNC(=O)c1ccc([nH]1)C AIFCHEM-94552829597 [0,2,0,0,0,0|1,0,0]=3 221 B14R1.37 CCCCCNC(=O)c1ccc(s1)I AIFCHEM-94522663608 [0,2,0,0,0,0|0,1,0]=3 222 B14R1.37 CCCCCNC(=O)c1cn(cn1)C AIFCHEM-94522662354 [0,2,0,0,0,0|2,0,0]=4 223 B14R1.37 CCCCCNC(=O)c1csc(c1)C AIFCHEM-94552827392 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.37 CCOCCNC(=O)c1cc(co1)Br AIFCHEM-94548614398 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.37 CCOCCNC(=O)c1ccc(s1)C AIFCHEM-94548612464 [0,2,0,0,0,0|1,1,0]=4 226 B14R1.37 CCOCCNC(=O)c1ccc(s1)Cl AIFCHEM-94548613415 [0,2,0,0,0,0|1,1,0]=4 227 B14R1.37 CCSCCNC(=O)c1cc(c[nH]1)Br AIFCHEM-6082007808 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.37 CCSCCNC(=O)c1cc(co1)Br AIFCHEM-6033867027 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.37 CCSCCNC(=O)c1cc(no1)O AIFCHEM-94566122545 [0,2,0,0,0,0|2,0,0]=4 230 B14R1.37 CCSCCNC(=O)c1ccc(o1)C AIFCHEM-94566124096 [0,2,0,0,0,0|1,0,0]=3 231 B14R1.37 CCSCCNC(=O)c1ccc(o1)Cl AIFCHEM-6033132168 [0,2,0,0,0,0|1,0,0]=3 232 B14R1.37 CCSCCNC(=O)c1ccc(s1)F AIFCHEM-94566126709 [0,2,0,0,0,0|1,1,0]=4 233 B14R1.37 COCCCNC(=O)c1cc(c[nH]1)F AIFCHEM-5592956560 [0,2,0,0,0,0|2,0,0]=4 234 B14R1.37 COCCCNC(=O)c1cc(no1)O AIFCHEM-5601741117 [0,2,0,0,0,0|2,0,0]=4 235 B14R1.37 COCCCNC(=O)c1ccc(o1)Br AIFCHEM-94598899216 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.37 COCCCNC(=O)c1ccc(s1)F AIFCHEM-5644925190 [0,2,0,0,0,0|1,1,0]=4 237 B14R1.37 CSCCCNC(=O)c1cc(cs1)Br AIFCHEM-94529059786 [0,2,0,0,0,0|1,1,0]=4 238 B14R1.37 CSCCCNC(=O)c1ccc(s1)Br AIFCHEM-94529064962 [0,2,0,0,0,0|1,1,0]=4 239 B14R1.37 CSCCCNC(=O)c1cnc(o1)C AIFCHEM-94529058092 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.162 CCC(=O)CNC(=O)c1cc(co1)Br AIFCHEM-6159008348 [0,2,0,0,0,0|1,0,1]=4 241 B14R1.162 CCC(=O)CNC(=O)c1ccc(o1)Cl AIFCHEM-6179592429 [0,2,0,0,0,0|1,0,1]=4 242 B14R1.162 CCC(C)CNC(=O)c1cc(cs1)Cl AIFCHEM-94534483417 [0,2,0,0,0,0|1,1,0]=4 243 B14R1.162 CCC(C)CNC(=O)c1ccc(o1)Cl AIFCHEM-94534483571 [0,2,0,0,0,0|1,0,0]=3 244 B14R1.162 CCC(C)CNC(=O)c1cnc(o1)C AIFCHEM-94534477371 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.162 CCC(F)CNC(=O)c1cc(cs1)C AIFCHEM-5821887966 [0,2,0,0,0,0|1,1,0]=4 246 B14R1.162 CCC(F)CNC(=O)c1ccc(s1)F AIFCHEM-5870285445 [0,2,0,0,0,0|1,1,0]=4 247 B14R1.165 CSCCN(C)C(=O)c1cc(co1)Br AIFCHEM-94607190258 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.165 CSCCN(C)C(=O)c1ccc(o1)Cl AIFCHEM-94607192204 [0,2,0,0,0,0|2,0,0]=4 249 B14R1.1040 C#Cc1ccc(s1)C(=O)NCCCC AIFCHEM-94570978993 [0,2,0,0,0,0|1,1,0]=4 250 B14R1.1040 CCCCNC(=O)c1cc(cs1)C#N AIFCHEM-5751843900 [0,2,0,0,0,0|1,1,0]=4 251 B14R1.1040 CCCCNC(=O)c1ccc(o1)C#N AIFCHEM-5695897883 [0,2,0,0,0,0|1,0,0]=3 252 B14R1.1040 CSCCNC(=O)c1ccc(o1)CO AIFCHEM-94598932499 [0,2,0,0,0,0|2,0,0]=4 253 B14R1.1041 CCCCNC(=O)c1[nH]c(cc1C)C AIFCHEM-94570982101 [0,2,0,0,0,0|2,0,0]=4 254 B14R1.1041 CCCCNC(=O)c1sc(cc1Cl)Cl AIFCHEM-94570984987 [0,2,0,0,0,0|1,1,0]=4 255 B14R1.1041 COCCNC(=O)c1oc(cc1C)Br AIFCHEM-6017087700 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Br)Cl AIFCHEM-94570977232 [0,2,0,0,0,0|1,1,0]=4 257 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Br)O AIFCHEM-5696328798 [0,2,0,0,0,0|1,1,0]=4 258 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Cl)Br AIFCHEM-94570983220 [0,2,0,0,0,0|1,1,0]=4 259 B14R1.1042 CCCCNC(=O)c1cc(c(s1)Cl)Cl AIFCHEM-5693496545 [0,2,0,0,0,0|1,1,0]=4 260 B14R1.3022 CCCCNC(=O)c1scc(c1Cl)C AIFCHEM-94570980233 [0,2,0,0,0,0|1,1,0]=4 261 B14R1.4268 CC(C)CCNC(=O)c1cc(no1)Br AIFCHEM-6121755553 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.4268 CN(C)CCNC(=O)c1ccc(o1)Cl AIFCHEM-94537685825 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.4268 Cc1cc(on1)C(=O)NCCC(C)C AIFCHEM-6098939858 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.137 CCCC[C@@H](C)NC(=O)c1cccs1 AIFCHEM-94596961410 [0,2,0,0,0,0|0,1,0]=3 265 B14R1.137 CCCC[C@@H](C)NC(=O)c1ccon1 AIFCHEM-94596959931 [0,2,0,0,0,0|2,0,0]=4 266 B14R1.137 CCCC[C@@H](C)NC(=O)c1nccs1 AIFCHEM-94596956855 [0,2,0,0,0,0|1,1,0]=4 267 B14R1.475 COCC(C)N(C)C(=O)c1ccco1 AIFCHEM-94595875900 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.3242 CCCC(C)NC(=O)c1occc1Br AIFCHEM-94560478608 [0,2,0,0,0,0|1,0,0]=3 269 B14R1.3242 CCC[C@@H](C)NC(=O)c1occc1Br AIFCHEM-6033118421 [0,2,0,0,0,0|1,0,0]=3 270 B14R1.3242 CCC[C@H](C)NC(=O)c1occc1Br AIFCHEM-5686732224 [0,2,0,0,0,0|1,0,0]=3 271 B14R1.169 CCCCCCNC(=O)c1ccns1 AIFCHEM-94575438346 [0,2,0,0,0,0|1,1,0]=4 272 B14R1.169 CCCCCCNC(=O)c1cncs1 AIFCHEM-94575440366 [0,2,0,0,0,0|1,1,0]=4 273 B14R1.169 CCCCCCNC(=O)c1cscn1 AIFCHEM-94571773628 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.169 CCNCCCNC(=O)c1cccs1 AIFCHEM-94537413698 [0,2,0,0,0,0|0,1,0]=3 275 B14R1.169 CCOCCCNC(=O)c1ccn[nH]1 AIFCHEM-6286378164 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.169 CCOCCCNC(=O)c1ccns1 AIFCHEM-6274074165 [0,2,0,0,0,0|1,1,0]=4 277 B14R1.169 CCOCCCNC(=O)c1cocn1 AIFCHEM-6281440263 [0,2,0,0,0,0|2,0,0]=4 278 B14R1.169 CCOCCCNC(=O)c1cscn1 AIFCHEM-6208704819 [0,2,0,0,0,0|2,0,0]=4 279 B14R1.169 N#CCCCCNC(=O)c1ccco1 AIFCHEM-5831789510 [0,2,0,0,0,0|0,0,1]=3 280 B14R1.418 CC(C)CCCNC(=O)c1cnco1 AIFCHEM-5695759327 [0,2,0,0,0,0|1,0,0]=3 281 B14R1.418 CC(C)CCCNC(C)c1ccco1 AIFCHEM-5698452118 [0,2,0,0,0,0|1,0,1]=4 282 B14R1.418 CC(C)OCCNC(=O)c1ccco1 AIFCHEM-6254700940 [0,2,0,0,0,0|1,0,0]=3 283 B14R1.418 CN(C)CCCNC(=O)c1cccs1 AIFCHEM-5702658961 [0,2,0,0,0,0|1,1,0]=4 284 B14R1.729 COC(=O)CCNC(=O)c1ccco1 AIFCHEM-6150113733 [0,2,0,0,0,0|1,0,1]=4 285 B14R1.3360 CCCCCNC(=O)c1[nH]ccc1F AIFCHEM-94522659875 [0,2,0,0,0,0|1,0,0]=3 286 B14R1.3360 CCCCCNC(=O)c1ccnn1C AIFCHEM-94552826617 [0,2,0,0,0,0|2,0,0]=4 287 B14R1.3360 CCCCCNC(=O)c1ccsc1Cl AIFCHEM-94522663151 [0,2,0,0,0,0|2,0,0]=4 288 B14R1.3360 CCCCCNC(=O)c1cscc1C AIFCHEM-94522664666 [0,2,0,0,0,0|2,0,0]=4 289 B14R1.3360 CCCCCNC(=O)c1n[nH]cc1I AIFCHEM-94555982793 [0,2,0,0,0,0|2,0,0]=4 290 B14R1.3360 CCCCCNC(=O)c1ncsc1Br AIFCHEM-94522656720 [0,2,0,0,0,0|2,0,0]=4 291 B14R1.3360 CCCCCNC(=O)c1sccc1C AIFCHEM-94522660758 [0,2,0,0,0,0|0,1,0]=3 292 B14R1.3360 CCOCCNC(=O)c1[nH]ccc1F AIFCHEM-94548612498 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.3360 CCOCCNC(=O)c1sccc1F AIFCHEM-94548614226 [0,2,0,0,0,0|1,1,0]=4 294 B14R1.3360 COCCCNC(=O)c1[nH]ccc1Br AIFCHEM-5663413792 [0,2,0,0,0,0|2,0,0]=4 295 B14R1.3360 CSCCCNC(=O)c1sccc1I AIFCHEM-94529064178 [0,2,0,0,0,0|1,1,0]=4 296 B14R1.721 CCC(C)CN(C)C(=O)c1ccno1 AIFCHEM-6095636060 [0,2,0,0,0,0|2,0,0]=4 297 B14R1.4461 CCC(C)CNC(=O)c1[nH]ccc1F AIFCHEM-94534479725 [0,2,0,0,0,0|2,0,0]=4 298 B14R1.4461 CCC(C)CNC(=O)c1cccn1C AIFCHEM-94534484063 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.4461 CCC(C)CNC(=O)c1occc1Br AIFCHEM-94534478614 [0,2,0,0,0,0|1,0,0]=3 300 B14R1.4461 CCC(C)CNC(=O)c1ocnc1C AIFCHEM-94534480770 [0,2,0,0,0,0|2,0,0]=4 301 B14R1.4461 CCC(F)CNC(=O)c1ocnc1C AIFCHEM-5821626141 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.4461 CCC(F)CNC(=O)c1oncc1C AIFCHEM-5801829562 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.785 CCCCN(CC)C(=O)c1cccs1 AIFCHEM-95965975337 [0,2,0,0,0,0|1,1,0]=4 304 B14R1.785 CCN(CCSC)C(=O)c1ccco1 AIFCHEM-96118945465 [0,2,0,0,0,0|2,0,0]=4 305 B14R1.808 CC(C)CCN(C)C(=O)c1ccc[nH]1 AIFCHEM-6180536049 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.4488 CC(C)CCNC(=O)c1sccc1F AIFCHEM-6184122622 [0,2,0,0,0,0|1,1,0]=4 307 B14R1.4488 Cc1ccoc1C(=O)NCCC(C)C AIFCHEM-6121388254 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.28 CCCNCc1cccc(c1)O AIFCHEM-94569022018 [0,0,1,1,0,0|2,0,0]=4 309 B12R1.267 CCCCNc1ncccc1O AIFCHEM-94523032927 [0,0,1,1,0,0|2,0,0]=4 310 B12R1.267 CCCNCc1ccccc1O AIFCHEM-94592060285 [0,0,1,1,0,0|2,0,0]=4 311 B12R2.2 C1=C(CCOC1)c2ccco2 AIFCHEM-94557631881 [1,0,0,1,0,0|1,0,1]=4 312 B12R2.2056 c1coc(c1)CNC2CCC2 AIFCHEM-94540084748 [1,0,0,1,0,0|1,0,1]=4 313 B12R2.2383 c1coc(c1)CNCC2CC2 AIFCHEM-94557346397 [1,0,0,1,0,0|1,0,1]=4 314 B12R2.2074 O=C(NC1CC1)c2cccs2 AIFCHEM-94573325558 [1,0,0,1,0,0|1,1,0]=4 315 B12R2.3797 O=C(c1ccco1)N2CCC2 AIFCHEM-6079219701 [1,0,0,1,0,0|1,0,0]=3 316 B14R2.335 CC1CCN1C(=O)c2ccncc2 AIFCHEM-6088086629 [0,0,0,1,0,1|2,0,0]=4 317 B14R2.335 C[C@@H]1CCN1C(=O)c2cccnn2 AIFCHEM-6235114579 [0,0,0,1,0,1|2,0,0]=4 318 B14R2.335 C[C@@H]1CCN1C(=O)c2ccncc2 AIFCHEM-6235381704 [0,0,0,1,0,1|2,0,0]=4 319 B14R2.335 C[C@H]1CCN1C(=O)c2cccnn2 AIFCHEM-5760668510 [0,0,0,1,0,1|2,0,0]=4 320 B14R2.335 C[C@H]1CCN1C(=O)c2ccncc2 AIFCHEM-5742281938 [0,0,0,1,0,1|2,0,0]=4 321 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2ccccn2 AIFCHEM-94578926625 [0,0,0,1,0,1|2,0,0]=4 322 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2cccnc2 AIFCHEM-94559019052 [0,0,0,1,0,1|2,0,0]=4 323 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2ncccn2 AIFCHEM-94559017045 [0,0,0,1,0,1|2,0,0]=4 324 B14R2.794 O=C(NC1CCC1)c2ccccn2 AIFCHEM-5771362576 [0,0,0,1,0,1|2,0,0]=4 325 B14R2.794 O=C(NC1CCC1)c2ccncn2 AIFCHEM-5766598506 [0,0,0,1,0,1|2,0,0]=4 326 B14R2.794 O=C(NC1CCC1)c2cnccn2 AIFCHEM-5690399082 [0,0,0,1,0,1|2,0,0]=4 327 B14R2.1253 C1=C(CCCCC1)c2cccnc2 AIFCHEM-6317666648 [0,0,0,1,0,1|2,0,0]=4 328 B14R2.1253 C1=C(CCCCC1)c2ccncc2 AIFCHEM-6306091316 [0,0,0,1,0,1|2,0,0]=4 329 B14R2.1253 C1=C(CCCCC1)c2cnccn2 AIFCHEM-6338200052 [0,0,0,1,0,1|2,0,0]=4 330 B14R2.731 CC1CCN1C(=O)Cc2ccco2 AIFCHEM-6090148361 [0,0,0,1,0,1|1,0,0]=3 331 B14R2.731 C[C@@H]1CCN1C(=O)Cc2ccco2 AIFCHEM-6275707669 [0,0,0,1,0,1|1,0,0]=3 332 B14R2.731 C[C@H]1CCN1C(=O)Cc2ccco2 AIFCHEM-5760703760 [0,0,0,1,0,1|1,0,0]=3 333 B14R2.793 O=C(Nc1ccon1)C2CCCC2 AIFCHEM-6172366804 [0,0,0,1,0,1|2,0,0]=4 334 B14R2.793 O=C(Nc1ncco1)C2CCCC2 AIFCHEM-6282829002 [0,0,0,1,0,1|1,0,0]=3 335 B14R2.793 O=C(Nc1nnco1)C2CCCC2 AIFCHEM-6229666105 [0,0,0,1,0,1|2,0,0]=4 336 B14R2.9599 O=C(CCC1CC1)Nc2ccn[nH]2 AIFCHEM-5978587300 [0,0,0,1,0,1|2,0,0]=4 337 B14R2.9599 O=C(CCC1CC1)Nc2ccon2 AIFCHEM-6122286425 [0,0,0,1,0,1|2,0,0]=4 338 B14R2.9599 O=C(CCC1CC1)Nc2ccsc2 AIFCHEM-5656449991 [0,0,0,1,0,1|2,0,0]=4 339 B14R2.9599 O=C(CCC1CC1)Nc2nnco2 AIFCHEM-6227514678 [0,0,0,1,0,1|2,0,0]=4 340 B14R2.31918 O=C(CC1CCC1)Nc2nccs2 AIFCHEM-94524297200 [0,0,0,1,0,1|1,1,0]=4 341 B14R2.255 CC1CCN(C1)C(=O)c2ccco2 AIFCHEM-5686607536 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.255 CC1CCN(C1)C(=O)c2ccno2 AIFCHEM-5637710212 [0,1,0,1,0,0|2,0,0]=4 343 B14R2.255 C[C@@H]1CCN(C1)C(=O)c2ccco2 AIFCHEM-5842684414 [0,1,0,1,0,0|1,0,0]=3 344 B14R2.255 C[C@H]1CCN(C1)C(=O)c2ccco2 AIFCHEM-5610254824 [0,1,0,1,0,0|1,0,0]=3 345 B14R2.255 C[C@H]1CCN(C1)C(=O)c2ccno2 AIFCHEM-5666633784 [0,1,0,1,0,0|2,0,0]=4 346 B14R2.255 O=C(c1cc(co1)Br)N2CCSC2 AIFCHEM-5684361450 [0,1,0,1,0,0|2,0,0]=4 347 B14R2.255 O=C(c1ccc(o1)Cl)N2CCSC2 AIFCHEM-5677157359 [0,1,0,1,0,0|2,0,0]=4 348 B14R2.255 O=C(c1ccco1)N2CC[C@@H](C2)F AIFCHEM-5625215321 [0,1,0,1,0,0|1,0,0]=3 349 B14R2.255 O=C(c1ccco1)N2CC[C@H](C2)F AIFCHEM-94601068473 [0,1,0,1,0,0|1,0,0]=3 350 B14R2.255 O=C(c1ccno1)N2CC[C@@H](C2)F AIFCHEM-5610709110 [0,1,0,1,0,0|2,0,0]=4 351 B14R2.255 O=C(c1ccno1)N2CC[C@H](C2)F AIFCHEM-5678915794 [0,1,0,1,0,0|2,0,0]=4 352 B14R2.4369 C[C@@H]1C[C@H]1NC(=O)c2cc(c[nH]2)F AIFCHEM-94559018149 [0,1,0,1,0,0|2,0,0]=4 353 B14R2.4369 C[C@@H]1C[C@H]1NC(=O)c2cc(cs2)Br AIFCHEM-94559014731 [0,1,0,1,0,0|1,1,0]=4 354 B14R2.4369 C[C@@H]1C[C@H]1NC(=O)c2cc(cs2)Cl AIFCHEM-94559019083 [0,1,0,1,0,0|1,1,0]=4 355 B14R2.4369 Cc1csc(c1)C(=O)N[C@@H]2C[C@H]2C AIFCHEM-94559014072 [0,1,0,1,0,0|1,1,0]=4 356 B14R2.4369 O=C(NC1CC1F)c2ccc(o2)Cl AIFCHEM-5830937489 [0,1,0,1,0,0|2,0,0]=4 357 B14R2.4369 O=C(N[C@@H]1C[C@@H]1F)c2ccc(o2)Cl AIFCHEM-6011223837 [0,1,0,1,0,0|2,0,0]=4 358 B14R2.4369 O=C(N[C@@H]1C[C@H]1F)c2ccc(o2)Cl AIFCHEM-5880947463 [0,1,0,1,0,0|2,0,0]=4 359 B14R2.4369 O=C(N[C@H]1C[C@@H]1F)c2ccc(o2)Cl AIFCHEM-6046758149 [0,1,0,1,0,0|2,0,0]=4 360 B14R2.4375 CC1CCN1C(=O)c2cc(cs2)Br AIFCHEM-6087491327 [0,1,0,1,0,0|1,1,0]=4 361 B14R2.4375 CC1CCN1C(=O)c2cc(cs2)Cl AIFCHEM-6114599638 [0,1,0,1,0,0|1,1,0]=4 362 B14R2.4375 CC1CCN1C(=O)c2ccc(o2)Cl AIFCHEM-6087427465 [0,1,0,1,0,0|1,0,0]=3 363 B14R2.4375 C[C@@H]1CCN1C(=O)c2cc(cs2)Br AIFCHEM-6234304379 [0,1,0,1,0,0|1,1,0]=4 364 B14R2.4375 C[C@@H]1CCN1C(=O)c2cc(cs2)Cl AIFCHEM-6234838223 [0,1,0,1,0,0|1,1,0]=4 365 B14R2.4375 C[C@@H]1CCN1C(=O)c2cc(no2)O AIFCHEM-6275809088 [0,1,0,1,0,0|2,0,0]=4 366 B14R2.4375 C[C@@H]1CCN1C(=O)c2ccc(o2)Cl AIFCHEM-6261389519 [0,1,0,1,0,0|1,0,0]=3 367 B14R2.4375 C[C@@H]1CCN1C(=O)c2ccc(s2)Cl AIFCHEM-6235347679 [0,1,0,1,0,0|1,1,0]=4 368 B14R2.4375 C[C@H]1CCN1C(=O)c2cc(cs2)Br AIFCHEM-5744386098 [0,1,0,1,0,0|1,1,0]=4 369 B14R2.4375 C[C@H]1CCN1C(=O)c2cc(cs2)Cl AIFCHEM-5760628428 [0,1,0,1,0,0|1,1,0]=4 370 B14R2.4375 C[C@H]1CCN1C(=O)c2cc(no2)O AIFCHEM-5711725373 [0,1,0,1,0,0|2,0,0]=4 371 B14R2.4375 C[C@H]1CCN1C(=O)c2ccc(o2)Cl AIFCHEM-5741913595 [0,1,0,1,0,0|1,0,0]=3 372 B14R2.4375 C[C@H]1CCN1C(=O)c2ccc(s2)Cl AIFCHEM-5703532185 [0,1,0,1,0,0|1,1,0]=4 373 B14R2.4375 Cc1c[nH]c(c1)C(=O)N2CCC2C AIFCHEM-6128462455 [0,1,0,1,0,0|2,0,0]=4 374 B14R2.4375 Cc1c[nH]c(c1)C(=O)N2CC[C@@H]2C AIFCHEM-5711041627 [0,1,0,1,0,0|2,0,0]=4 375 B14R2.4375 Cc1c[nH]c(c1)C(=O)N2CC[C@H]2C AIFCHEM-6230761961 [0,1,0,1,0,0|2,0,0]=4 376 B14R2.4375 Cc1ccc([nH]1)C(=O)N2CC[C@@H]2C AIFCHEM-5760355482 [0,1,0,1,0,0|2,0,0]=4 377 B14R2.4375 Cc1ccc([nH]1)C(=O)N2CC[C@H]2C AIFCHEM-6275444601 [0,1,0,1,0,0|2,0,0]=4 378 B14R2.4375 Cc1ccc(s1)C(=O)N2CCC2C AIFCHEM-6124781875 [0,1,0,1,0,0|1,1,0]=4 379 B14R2.4375 Cc1ccc(s1)C(=O)N2CC[C@@H]2C AIFCHEM-5711804309 [0,1,0,1,0,0|1,1,0]=4 380 B14R2.4375 Cc1ccc(s1)C(=O)N2CC[C@H]2C AIFCHEM-6275707677 [0,1,0,1,0,0|1,1,0]=4 381 B14R2.4375 Cc1ncc(o1)C(=O)N2CCC2C AIFCHEM-6089456256 [0,1,0,1,0,0|2,0,0]=4 382 B14R2.4375 Cc1ncc(o1)C(=O)N2CC[C@@H]2C AIFCHEM-5752621525 [0,1,0,1,0,0|2,0,0]=4 383 B14R2.4375 Cc1ncc(o1)C(=O)N2CC[C@H]2C AIFCHEM-6261299550 [0,1,0,1,0,0|2,0,0]=4 384 B14R2.4396 Cc1ccc([nH]1)C(=O)NCC2CC2 AIFCHEM-5911677875 [0,1,0,1,0,0|2,0,0]=4 385 B14R2.4396 O=C(NCC1CC1)c2cc(c[nH]2)Cl AIFCHEM-5943965567 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.4396 O=C(NCC1CC1)c2cc(co2)Br AIFCHEM-94592480507 [0,1,0,1,0,0|1,0,0]=3 387 B14R2.4396 O=C(NCC1CC1)c2cc(cs2)Cl AIFCHEM-94592482299 [0,1,0,1,0,0|1,1,0]=4 388 B14R2.20661 Cc1ncc(o1)C(=O)NC2CCC2 AIFCHEM-5738304602 [0,1,0,1,0,0|2,0,0]=4 389 B14R2.20661 O=C(NC1CCC1)c2cc(c[nH]2)F AIFCHEM-5766511762 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.20661 O=C(NC1CCC1)c2cc(no2)Br AIFCHEM-94537776330 [0,1,0,1,0,0|2,0,0]=4 391 B14R2.20661 O=C(NC1COC1)c2cc(co2)Br AIFCHEM-5695768856 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.20661 O=C(NC1COC1)c2ccc(o2)Cl AIFCHEM-5762759314 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.20661 O=C(NC1CSC1)c2cc(co2)Br AIFCHEM-5980771414 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.20661 O=C(NC1CSC1)c2ccc(o2)Br AIFCHEM-5972069911 [0,1,0,1,0,0|2,0,0]=4 395 B14R2.308 CC1CCCN1C(=O)c2ccon2 AIFCHEM-94592644006 [0,1,0,1,0,0|2,0,0]=4 396 B14R2.308 CC1CCCN1C(=O)c2cncs2 AIFCHEM-94592641104 [0,1,0,1,0,0|1,1,0]=4 397 B14R2.308 CC1CCCN1C(=O)c2cscn2 AIFCHEM-94592644634 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.308 C[C@@H]1CCCN1C(=O)c2ccon2 AIFCHEM-94548519857 [0,1,0,1,0,0|2,0,0]=4 399 B14R2.308 C[C@@H]1CCCN1C(=O)c2cncs2 AIFCHEM-94548516955 [0,1,0,1,0,0|1,1,0]=4 400 B14R2.308 C[C@@H]1CCCN1C(=O)c2cscn2 AIFCHEM-94548520485 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.308 C[C@H]1CCCN1C(=O)c2ccon2 AIFCHEM-5594844063 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.308 C[C@H]1CCCN1C(=O)c2cncs2 AIFCHEM-94569869793 [0,1,0,1,0,0|1,1,0]=4 403 B14R2.308 C[C@H]1CCCN1C(=O)c2cscn2 AIFCHEM-5675689450 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.9594 CC1(CCC1)NC(=O)c2ccco2 AIFCHEM-6197698885 [0,1,0,1,0,0|1,0,0]=3 405 B14R2.15286 C[C@@H](NC(=O)c1ccc[nH]1)C2CC2 AIFCHEM-5666483075 [0,1,0,1,0,0|2,0,0]=4 406 B14R2.15286 C[C@H](NC(=O)c1ccc[nH]1)C2CC2 AIFCHEM-94534003179 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.355 C[C@@H]1C[C@H]1CNC(=O)c2ncc[nH]2 AIFCHEM-94599422649 [0,1,0,1,0,0|2,0,0]=4 408 B14R2.4253 O=C(NCCC1CC1)c2ccco2 AIFCHEM-5772553655 [0,1,0,1,0,0|0,0,0]=2 409 B14R2.4253 O=C(NCCC1CC1)c2ccon2 AIFCHEM-5764083403 [0,1,0,1,0,0|2,0,0]=4 410 B14R2.4253 O=C(NCCC1CC1)c2ccsc2 AIFCHEM-5697791877 [0,1,0,1,0,0|2,0,0]=4 411 B14R2.4253 O=C(NCCC1CC1)c2nccs2 AIFCHEM-5746334822 [0,1,0,1,0,0|1,1,0]=4 412 B14R2.4254 CC(NCC1CCC1)c2ccco2 AIFCHEM-94536862332 [0,1,0,1,0,0|1,0,1]=4 413 B14R2.4254 C[C@@H](NCC1CCC1)c2ccco2 AIFCHEM-6075533700 [0,1,0,1,0,0|1,0,1]=4 414 B14R2.4254 O=C(NCC1CCC1)c2cc[nH]c2 AIFCHEM-94536877621 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.4254 O=C(NCC1CCC1)c2cc[nH]n2 AIFCHEM-94576503442 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.4254 O=C(NCC1CCC1)c2ccno2 AIFCHEM-5757376277 [0,1,0,1,0,0|1,0,0]=3 417 B14R2.4254 O=C(NCC1CCC1)c2cocn2 AIFCHEM-5727974914 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.4254 O=C(NCC1CCC1)c2ncc[nH]2 AIFCHEM-94536870961 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.4254 O=C(NCC1COC1)c2cccs2 AIFCHEM-5926575979 [0,1,0,1,0,0|1,1,0]=4 420 B14R2.4254 O=C(NCC1COC1)c2cnco2 AIFCHEM-5898194615 [0,1,0,1,0,0|2,0,0]=4 421 B14R2.1 CCC1CC=C(CC1)c2ncco2 AIFCHEM-6403263596 [0,1,0,1,0,0|2,0,0]=4 422 B14R2.31919 CC1(CC1)CNC(=O)c2ccc[nH]2 AIFCHEM-6028626103 [0,1,0,1,0,0|2,0,0]=4 423 B14R2.31919 O=C(NCC1(CC1)F)c2ccno2 AIFCHEM-5773742207 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.9586 CN(CC1CC1)C(=O)c2ccno2 AIFCHEM-5899458708 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.4739 C[C@@H]1C[C@H]1NC(=O)c2[nH]ccc2F AIFCHEM-94559015391 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.4739 Cc1ncoc1C(=O)N[C@@H]2C[C@H]2C AIFCHEM-94559016436 [0,1,0,1,0,0|2,0,0]=4 427 B14R2.5218 Cc1cc[nH]c1C(=O)NCC2CC2 AIFCHEM-5910247793 [0,1,0,1,0,0|2,0,0]=4 428 B14R2.21853 Cc1ccoc1C(=O)NC2CSC2 AIFCHEM-5980641002 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.21853 O=C(NC1CCC1)c2[nH]ccc2Br AIFCHEM-5756296323 [0,1,0,1,0,0|2,0,0]=4 430 B14R2.21853 O=C(NC1CCC1)c2occc2Br AIFCHEM-5717109627 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.21853 O=C(NC1CCC1)c2sccc2Cl AIFCHEM-5689776430 [0,1,0,1,0,0|1,1,0]=4 432 B12R1.8 CCCCCNc1cnccn1 AIFCHEM-94551433700 [1,0,0,0,0,1|2,0,0]=4 433 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [1,0,0,0,0,1|2,0,0]=4 434 B14R1.158 CCCCNC(=O)Cc1ccncn1 AIFCHEM-94570981189 [0,0,0,0,0,2|2,0,0]=4 435 B14R1.86 CCCCCC(=O)NCc1ccon1 AIFCHEM-94585546541 [0,0,0,0,0,2|2,0,0]=4 436 B14R1.86 CCCCCC(=O)NCc1cnco1 AIFCHEM-94607331935 [0,0,0,0,0,2|1,0,0]=3 437 B14R1.86 CCCCNC(=O)CCc1cccs1 AIFCHEM-94570983121 [0,0,0,0,0,2|1,1,0]=4