0 B15R1.138 C#CCCCCNC(=O)c1cccnc1 AIFCHEM-6184547235 [0,0,0,0,0,0|2,0,2]=4 1 B15R1.138 CCCCCCNC(=O)c1ncccn1 AIFCHEM-94575443228 [0,0,0,0,0,0|3,0,0]=3 2 B15R1.138 CCCCNCCC(O)c1ccccc1 AIFCHEM-94523038493 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.138 CCOCCCNC(=O)c1cccnn1 AIFCHEM-6220053904 [0,0,0,0,0,0|4,0,0]=4 4 B15R1.138 CCOCCCNC(=O)c1cncnc1 AIFCHEM-6254428726 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.138 N#CCCCCNC(=O)c1ccccn1 AIFCHEM-94558552972 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.38 CCCCCNC(=O)c1ccccn1 AIFCHEM-94578913901 [1,0,0,0,0,0|2,0,0]=3 7 B14R1.38 CCCCCNC(C)c1ccccc1 AIFCHEM-94552823963 [1,0,0,0,0,0|2,0,1]=4 8 B14R1.38 CCSCCNC(=O)c1ccncc1 AIFCHEM-94566127503 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.38 COCCCNC(=O)c1ccccc1 AIFCHEM-94565577789 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.123 CCCCCCC=Cc1ccccn1 AIFCHEM-94560464166 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.123 CCCCCCC=Cc1cccnn1 AIFCHEM-94560468132 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.123 CCCCCCC=Cc1ccncc1 AIFCHEM-6325591789 [1,0,0,0,0,0|2,0,0]=3 13 B14R1.123 CCCCCCC=Cc1cncnc1 AIFCHEM-94560463900 [1,0,0,0,0,0|3,0,0]=4 14 B14R1.123 CCCCCCC=Cc1ncccn1 AIFCHEM-94560463901 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.123 CCCCCCCNc1cccnc1 AIFCHEM-94589459353 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.123 CCCNCCCCc1ccccc1 AIFCHEM-94569017090 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.123 CCCNCCCOc1ccccc1 AIFCHEM-94569022273 [1,0,0,0,0,0|3,0,0]=4 18 B16R1.64 CC(NCCCCCCO)c1ccccc1 AIFCHEM-94560529599 [0,1,0,0,0,0|2,0,1]=4 19 B16R1.64 CCCCCNCCC(O)c1ccccc1 AIFCHEM-94551433704 [0,1,0,0,0,0|1,0,2]=4 20 B16R1.64 CCCCCNCCN(C)c1ccccc1 AIFCHEM-94551432276 [0,1,0,0,0,0|3,0,0]=4 21 B16R1.64 CCCCNCCOC(=O)c1ccccc1 AIFCHEM-94570974470 [0,1,0,0,0,0|0,0,0]=1 22 B16R1.64 CSCCNCCOC(=O)c1ccccc1 AIFCHEM-94527859737 [0,1,0,0,0,0|1,0,0]=2 23 B16R1.64 NOCCNCCOC(=O)c1ccccc1 AIFCHEM-94527863383 [0,1,0,0,0,0|2,0,0]=3 24 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)I AIFCHEM-94537888101 [0,1,0,0,0,0|1,0,2]=4 25 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Br AIFCHEM-94589461945 [0,1,0,0,0,0|3,0,0]=4 26 B16R1.91 CCCCCCCN(C)c1ccc(cc1)C AIFCHEM-94589461142 [0,1,0,0,0,0|3,0,0]=4 27 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Br AIFCHEM-94575445201 [0,1,0,0,0,0|1,0,0]=2 28 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)C AIFCHEM-94575447710 [0,1,0,0,0,0|1,0,0]=2 29 B16R1.91 CCCCCCNC(=O)c1ccc(cn1)F AIFCHEM-6101168701 [0,1,0,0,0,0|2,0,0]=3 30 B16R1.91 CCCCCCNC(=O)c1ccc(cn1)I AIFCHEM-94571772997 [0,1,0,0,0,0|2,0,0]=3 31 B16R1.91 CCCCCCNC(=O)c1cnc(=O)[nH]c1 AIFCHEM-94575443800 [0,1,0,0,0,0|3,0,0]=4 32 B16R1.91 CCCCCCNC(=O)c1cnc(cn1)Br AIFCHEM-94571776612 [0,1,0,0,0,0|3,0,0]=4 33 B16R1.91 CCCCCCNC(=O)c1cnc(nc1)Cl AIFCHEM-94571773452 [0,1,0,0,0,0|3,0,0]=4 34 B16R1.91 CCCCCCNC(C)c1ccc(cc1)C AIFCHEM-94575432265 [0,1,0,0,0,0|2,0,1]=4 35 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Cl AIFCHEM-94524368029 [0,1,0,0,0,0|2,0,1]=4 36 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)F AIFCHEM-6209199405 [0,1,0,0,0,0|2,0,0]=3 37 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Cl AIFCHEM-94537887490 [0,1,0,0,0,0|1,0,2]=4 38 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)F AIFCHEM-6123916713 [0,1,0,0,0,0|1,0,2]=4 39 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)O AIFCHEM-6097106719 [0,1,0,0,0,0|1,0,2]=4 40 B16R1.92 CCCCCCCN(C)c1cccc(c1)F AIFCHEM-94589455215 [0,1,0,0,0,0|3,0,0]=4 41 B16R1.92 CCCCCCCN(C)c1cccc(c1)O AIFCHEM-94589453166 [0,1,0,0,0,0|3,0,0]=4 42 B16R1.92 CCCCCCNC(=O)c1cc(ccn1)C AIFCHEM-94571773681 [0,1,0,0,0,0|2,0,0]=3 43 B16R1.92 CCCCCCNC(=O)c1cccc(n1)C AIFCHEM-94571777181 [0,1,0,0,0,0|2,0,0]=3 44 B16R1.92 CCCCCCNC(=O)c1nccc(n1)C AIFCHEM-6103745221 [0,1,0,0,0,0|3,0,0]=4 45 B16R1.92 CCCCCCNC(C)c1cccc(c1)Cl AIFCHEM-94570936173 [0,1,0,0,0,0|2,0,1]=4 46 B16R1.92 CCOCCCNC(=O)c1cc(=O)cco1 AIFCHEM-6209045031 [0,1,0,0,0,0|3,0,0]=4 47 B16R1.92 CCOCCCNC(=O)c1cccc(c1)O AIFCHEM-6273913928 [0,1,0,0,0,0|2,0,0]=3 48 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Br AIFCHEM-94558550480 [0,1,0,0,0,0|2,0,1]=4 49 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)F AIFCHEM-94558549539 [0,1,0,0,0,0|2,0,1]=4 50 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)I AIFCHEM-5831720745 [0,1,0,0,0,0|2,0,1]=4 51 B16R1.609 CC(C)CNCCOC(=O)c1ccccc1 AIFCHEM-94527867828 [0,1,0,0,0,0|1,0,0]=2 52 B16R1.609 CN(C)CCCCNC(=O)c1ccccc1 AIFCHEM-94565580444 [0,1,0,0,0,0|2,0,0]=3 53 B16R1.705 CCCCCCN(C)C(=O)c1ccccc1 AIFCHEM-94565580413 [0,1,0,0,0,0|1,0,0]=2 54 B16R1.705 CCCCCCN(C)C(=O)c1ccnnc1 AIFCHEM-6039179909 [0,1,0,0,0,0|3,0,0]=4 55 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 AIFCHEM-94565585722 [0,1,0,0,0,0|2,0,1]=4 56 B16R1.7596 C#CCCCCNC(=O)c1ccccc1I AIFCHEM-94537889582 [0,1,0,0,0,0|1,0,2]=4 57 B16R1.7596 C#CCCCCNC(=O)c1ccccc1O AIFCHEM-94537888532 [0,1,0,0,0,0|1,0,2]=4 58 B16R1.7596 CCCCCCCN(C)c1ccccc1C AIFCHEM-94589460990 [0,1,0,0,0,0|3,0,0]=4 59 B16R1.7596 CCCCCCNC(=O)c1ccncc1O AIFCHEM-6123395566 [0,1,0,0,0,0|2,0,0]=3 60 B16R1.7596 CCCCCCNC(=O)c1cnccc1C AIFCHEM-6174074789 [0,1,0,0,0,0|2,0,0]=3 61 B16R1.7596 CCCCCCNC(=O)c1ncccc1F AIFCHEM-94575440561 [0,1,0,0,0,0|2,0,0]=3 62 B16R1.7596 CCCCCCNC(=O)c1nccnc1C AIFCHEM-94575444026 [0,1,0,0,0,0|3,0,0]=4 63 B16R1.7596 CCCCCCNC(C)c1ccccc1O AIFCHEM-94575432079 [0,1,0,0,0,0|2,0,1]=4 64 B16R1.7596 Cc1ccccc1C(=O)NCCCCC#N AIFCHEM-94558544271 [0,1,0,0,0,0|2,0,1]=4 65 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Cl AIFCHEM-94558544272 [0,1,0,0,0,0|2,0,1]=4 66 B16R2.88 CC(NC1CCCCC1)c2ccccc2 AIFCHEM-94560520293 [0,0,0,1,0,0|2,0,1]=4 67 B16R2.88 O=C(NC1CCCOC1)c2ccccn2 AIFCHEM-94589559608 [0,0,0,1,0,0|3,0,0]=4 68 B16R2.88 O=C(NC1CCCOC1)c2ccncc2 AIFCHEM-94589556871 [0,0,0,1,0,0|3,0,0]=4 69 B16R2.88 O=C(NC1CCSCC1)c2ccccc2 AIFCHEM-94565579044 [0,0,0,1,0,0|2,0,0]=3 70 B16R2.88 O=C(N[C@@H]1CCCOC1)c2ccccn2 AIFCHEM-94578915841 [0,0,0,1,0,0|3,0,0]=4 71 B16R2.88 O=C(N[C@@H]1CCCOC1)c2ccncc2 AIFCHEM-94588277555 [0,0,0,1,0,0|3,0,0]=4 72 B16R2.88 O=C(N[C@H]1CCCOC1)c2ccccn2 AIFCHEM-94578915321 [0,0,0,1,0,0|3,0,0]=4 73 B16R2.88 O=C(N[C@H]1CCCOC1)c2ccncc2 AIFCHEM-6136940246 [0,0,0,1,0,0|3,0,0]=4 74 B16R2.2516 CCC1CCCN1C(=O)c2cccnc2 AIFCHEM-5839389811 [0,0,0,1,0,0|2,0,0]=3 75 B16R2.2516 O=C(c1ccccn1)N2CCC[C@H]2CF AIFCHEM-6272756123 [0,0,0,1,0,0|3,0,0]=4 76 B16R2.3896 C[C@@H]1COCCN1C(=O)c2ccccc2 AIFCHEM-94565586090 [0,0,0,1,0,0|2,0,0]=3 77 B16R2.3896 C[C@H]1COCCN1C(=O)c2ccccc2 AIFCHEM-94571075294 [0,0,0,1,0,0|2,0,0]=3 78 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 AIFCHEM-94560531712 [0,0,0,1,0,0|2,0,1]=4 79 B16R2.5767 O=C(NCC1CCCC1)c2ccccn2 AIFCHEM-6117641167 [0,0,0,1,0,0|2,0,0]=3 80 B16R2.5767 O=C(NCC1CCCC1)c2cccnc2 AIFCHEM-6158980794 [0,0,0,1,0,0|2,0,0]=3 81 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccncc2 AIFCHEM-94573419007 [0,0,0,1,0,0|3,0,0]=4 82 B16R2.5767 O=C(NC[C@H]1CCCO1)c2ccncc2 AIFCHEM-94552582159 [0,0,0,1,0,0|3,0,0]=4 83 B16R2.27749 O=C(OCCNC1CC1)c2ccccc2 AIFCHEM-94527859760 [0,0,0,1,0,0|1,0,0]=2 84 B14R1.169 CCCCCCNC(=O)c1ccns1 AIFCHEM-94575438346 [0,0,0,0,1,0|3,0,0]=4 85 B14R1.169 CCCCCCNC(=O)c1cncs1 AIFCHEM-94575440366 [0,0,0,0,1,0|3,0,0]=4 86 B14R1.169 CCCCCCNC(=O)c1cscn1 AIFCHEM-94571773628 [0,0,0,0,1,0|3,0,0]=4 87 B14R1.169 CCNCCCNC(=O)c1cccs1 AIFCHEM-94537413698 [0,0,0,0,1,0|3,0,0]=4 88 B16R1.693 CCCCCCCC(=O)Nc1ccccn1 AIFCHEM-94586364025 [0,0,0,0,0,1|2,0,0]=3 89 B16R1.693 CCOCCCNC(=O)Cc1ccccn1 AIFCHEM-94576237148 [0,0,0,0,0,1|3,0,0]=4 90 B16R1.693 COCCCCCC(=O)Nc1ccccc1 AIFCHEM-94552044299 [0,0,0,0,0,1|2,0,0]=3 91 B16R1.693 COCCCCCC(=O)Nc1ccncc1 AIFCHEM-94534408184 [0,0,0,0,0,1|3,0,0]=4 92 B13R1.24 CCCCCN(C)c1ccccc1 AIFCHEM-94551422681 [2,0,0,0,0,0|2,0,0]=4 93 B13R1.28 CCCNCCCc1ccccc1 AIFCHEM-5790560469 [2,0,0,0,0,0|1,0,1]=4 94 B13R1.28 CCCNCCOc1ccccn1 AIFCHEM-94569016929 [2,0,0,0,0,0|2,0,0]=4 95 B13R1.28 CCNCCCCc1ccccc1 AIFCHEM-94537420007 [2,0,0,0,0,0|1,0,1]=4 96 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F AIFCHEM-94552830115 [1,1,0,0,0,0|1,0,0]=3 97 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I AIFCHEM-94552831300 [1,1,0,0,0,0|1,0,0]=3 98 B15R1.30 CCCCCNC(=O)c1ccc(cn1)C AIFCHEM-94527142010 [1,1,0,0,0,0|2,0,0]=4 99 B15R1.30 CCCCCNC(=O)c1ccc(cn1)I AIFCHEM-94522661566 [1,1,0,0,0,0|2,0,0]=4 100 B15R1.30 CCCCCNC(=O)c1ccc(cn1)O AIFCHEM-94552826388 [1,1,0,0,0,0|2,0,0]=4 101 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br AIFCHEM-94548616125 [1,1,0,0,0,0|2,0,0]=4 102 B15R1.30 CCOCCNC(=O)c1ccc(cc1)O AIFCHEM-94548618635 [1,1,0,0,0,0|2,0,0]=4 103 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C AIFCHEM-6011634178 [1,1,0,0,0,0|2,0,0]=4 104 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F AIFCHEM-6086431849 [1,1,0,0,0,0|2,0,0]=4 105 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br AIFCHEM-94598899232 [1,1,0,0,0,0|2,0,0]=4 106 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94598900177 [1,1,0,0,0,0|2,0,0]=4 107 B15R1.30 COCCCNC(=O)c1ccc(cc1)F AIFCHEM-94598898281 [1,1,0,0,0,0|2,0,0]=4 108 B15R1.30 COCCCNC(=O)c1ccc(cc1)O AIFCHEM-5625343926 [1,1,0,0,0,0|2,0,0]=4 109 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br AIFCHEM-94522663487 [1,1,0,0,0,0|1,0,0]=3 110 B15R1.31 CCCCCNC(=O)c1cccc(c1)C AIFCHEM-94552833564 [1,1,0,0,0,0|1,0,0]=3 111 B15R1.31 CCCCCNC(=O)c1cccc(c1)O AIFCHEM-94522666001 [1,1,0,0,0,0|1,0,0]=3 112 B15R1.31 CCCCCNC(=O)c1cccc(n1)C AIFCHEM-94552833314 [1,1,0,0,0,0|2,0,0]=4 113 B15R1.31 CCCCCNC(=O)c1cncc(c1)C AIFCHEM-94522661583 [1,1,0,0,0,0|2,0,0]=4 114 B15R1.31 CCSCCNC(=O)c1cccc(c1)F AIFCHEM-94566126807 [1,1,0,0,0,0|2,0,0]=4 115 B15R1.31 CCSCCNC(=O)c1cccc(c1)I AIFCHEM-94566127983 [1,1,0,0,0,0|2,0,0]=4 116 B15R1.93 CCCCCN(C)C(=O)c1ccccn1 AIFCHEM-6167391111 [1,1,0,0,0,0|2,0,0]=4 117 B15R1.93 CCCCCN(C)C(=O)c1cccnc1 AIFCHEM-6114203177 [1,1,0,0,0,0|2,0,0]=4 118 B15R1.93 CCCCCN(C)C(=O)c1ccncc1 AIFCHEM-6089222267 [1,1,0,0,0,0|2,0,0]=4 119 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 AIFCHEM-94565573879 [1,1,0,0,0,0|1,0,0]=3 120 B15R1.3965 CCCCCNC(=O)c1ccccc1C AIFCHEM-94522657278 [1,1,0,0,0,0|1,0,0]=3 121 B15R1.3965 CCCCCNC(=O)c1ccncc1C AIFCHEM-94522662252 [1,1,0,0,0,0|2,0,0]=4 122 B15R1.3965 CCCCCNC(=O)c1ncccc1Br AIFCHEM-94522661461 [1,1,0,0,0,0|2,0,0]=4 123 B15R1.3965 CCOCCNC(=O)c1ccccc1C AIFCHEM-94548609901 [1,1,0,0,0,0|2,0,0]=4 124 B15R1.3965 CCSCCNC(=O)c1ccccc1O AIFCHEM-94566128428 [1,1,0,0,0,0|2,0,0]=4 125 B15R1.12 CCCCCCC=Cc1ccc(cc1)F AIFCHEM-94560463903 [1,1,0,0,0,0|1,0,0]=3 126 B15R1.12 CCCCCCC=Cc1ccc(cc1)O AIFCHEM-94601035071 [1,1,0,0,0,0|1,0,0]=3 127 B15R1.12 CCCCCCC=Cc1ccc(cn1)O AIFCHEM-94560457113 [1,1,0,0,0,0|2,0,0]=4 128 B15R1.35 CCCCCCCC=Cc1ccccc1 AIFCHEM-6322664646 [1,1,0,0,0,0|1,0,0]=3 129 B15R1.35 CCCCCCCC=Cc1ccccn1 AIFCHEM-6314201321 [1,1,0,0,0,0|2,0,0]=4 130 B15R1.35 CCCCNCCCOc1ccccc1 AIFCHEM-94523041503 [1,1,0,0,0,0|2,0,0]=4 131 B15R1.35 OCCNCCCOCc1ccccc1 AIFCHEM-94577777315 [1,1,0,0,0,0|1,0,1]=4 132 B15R1.83 CCCCCCC(=O)Nc1ccccc1 AIFCHEM-94521989168 [1,1,0,0,0,0|2,0,0]=4 133 B15R1.106 CCCCCCC=Cc1cccc(c1)F AIFCHEM-6353633950 [1,1,0,0,0,0|1,0,0]=3 134 B15R1.106 CCCCCCC=Cc1cccc(n1)C AIFCHEM-6323007691 [1,1,0,0,0,0|2,0,0]=4 135 B15R1.106 CCCCCCC=Cc1ccnc(c1)C AIFCHEM-6294661845 [1,1,0,0,0,0|2,0,0]=4 136 B15R1.106 CCCCCCC=Cc1cncc(c1)O AIFCHEM-94560466660 [1,1,0,0,0,0|2,0,0]=4 137 B15R1.106 CCCCCCNCc1cccc(c1)Br AIFCHEM-94571764452 [1,1,0,0,0,0|1,0,1]=4 138 B15R1.106 CCCCCCNCc1cccc(c1)C AIFCHEM-94575436425 [1,1,0,0,0,0|1,0,1]=4 139 B15R1.106 CCCCCCNCc1cccc(c1)Cl AIFCHEM-94575436226 [1,1,0,0,0,0|1,0,1]=4 140 B15R1.106 CCCCCCNCc1cccc(c1)I AIFCHEM-94575436817 [1,1,0,0,0,0|1,0,1]=4 141 B15R1.157 CCCNC(C)COCc1ccccc1 AIFCHEM-94521368312 [1,1,0,0,0,0|1,0,1]=4 142 B15R1.220 CCCCCCC=Cc1ccccc1F AIFCHEM-94560462743 [1,1,0,0,0,0|1,0,0]=3 143 B15R1.220 CCCCCCC=Cc1cccnc1C AIFCHEM-6415855270 [1,1,0,0,0,0|2,0,0]=4 144 B15R1.220 CCCCCCC=Cc1ccncc1C AIFCHEM-94560463531 [1,1,0,0,0,0|2,0,0]=4 145 B15R1.220 CCCCCCC=Cc1cnccc1C AIFCHEM-6350351503 [1,1,0,0,0,0|2,0,0]=4 146 B15R1.220 CCCCCCC=Cc1ncccc1F AIFCHEM-6428196904 [1,1,0,0,0,0|2,0,0]=4 147 B15R1.220 CCCCCCC=Cc1ncccc1O AIFCHEM-6272854859 [1,1,0,0,0,0|2,0,0]=4 148 B15R1.220 CCCCCCNCc1ccccc1O AIFCHEM-94532459455 [1,1,0,0,0,0|1,0,1]=4 149 B15R1.96 CCCNCCCNC(=O)c1ccco1 AIFCHEM-94569009931 [0,1,0,0,1,0|2,0,0]=4 150 B15R1.137 CCCCCCNC(=O)c1c[nH]c(c1)C AIFCHEM-6103209207 [0,1,0,0,1,0|2,0,0]=4 151 B15R1.137 CCCCCCNC(=O)c1cc(c[nH]1)Br AIFCHEM-94575442923 [0,1,0,0,1,0|2,0,0]=4 152 B15R1.137 CCCCCCNC(=O)c1cc(c[nH]1)C AIFCHEM-94571771151 [0,1,0,0,1,0|2,0,0]=4 153 B15R1.137 CCCCCCNC(=O)c1cc(c[nH]1)Cl AIFCHEM-94575442924 [0,1,0,0,1,0|2,0,0]=4 154 B15R1.137 CCCCCCNC(=O)c1cc(cs1)Br AIFCHEM-6129121990 [0,1,0,0,1,0|2,0,0]=4 155 B15R1.137 CCCCCCNC(=O)c1ccc(s1)Br AIFCHEM-94571775822 [0,1,0,0,1,0|2,0,0]=4 156 B15R1.137 CCCCCCNC(=O)c1ccn(c1)C AIFCHEM-6103113948 [0,1,0,0,1,0|2,0,0]=4 157 B15R1.137 CCCCCCNC(=O)c1csc(c1)Br AIFCHEM-6121664544 [0,1,0,0,1,0|2,0,0]=4 158 B15R1.600 CCCCCCN(C)C(=O)c1ccc[nH]1 AIFCHEM-6020538479 [0,1,0,0,1,0|2,0,0]=4 159 B15R1.5906 CCCCCCNC(=O)c1cccn1C AIFCHEM-6101120476 [0,1,0,0,1,0|2,0,0]=4 160 B15R1.5906 CCCCCCNC(=O)c1cscc1Br AIFCHEM-94571770645 [0,1,0,0,1,0|2,0,0]=4 161 B15R1.5906 CCCCCCNC(=O)c1occc1Br AIFCHEM-94571770195 [0,1,0,0,1,0|2,0,0]=4 162 B15R1.5906 CCCCCCNC(=O)c1sccc1F AIFCHEM-6121748329 [0,1,0,0,1,0|2,0,0]=4 163 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)F AIFCHEM-94552029015 [0,1,0,0,0,1|1,0,1]=4 164 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)C AIFCHEM-94575445459 [0,1,0,0,0,1|1,0,0]=3 165 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)F AIFCHEM-94575443981 [0,1,0,0,0,1|1,0,0]=3 166 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)I AIFCHEM-94571770960 [0,1,0,0,0,1|1,0,0]=3 167 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Cl AIFCHEM-6103249069 [0,1,0,0,0,1|2,0,0]=4 168 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)Cl AIFCHEM-94552614827 [0,1,0,0,0,1|1,0,1]=4 169 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)O AIFCHEM-94542290580 [0,1,0,0,0,1|1,0,1]=4 170 B17R1.745 CCCCCCCC(=O)Nc1cc(ccn1)F AIFCHEM-5620243315 [0,1,0,0,0,1|2,0,0]=4 171 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)C AIFCHEM-94571775185 [0,1,0,0,0,1|1,0,0]=3 172 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)F AIFCHEM-94575443361 [0,1,0,0,0,1|1,0,0]=3 173 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Br AIFCHEM-94571768367 [0,1,0,0,0,1|2,0,0]=4 174 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Br AIFCHEM-6123499296 [0,1,0,0,0,1|2,0,0]=4 175 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Cl AIFCHEM-94534411539 [0,1,0,0,0,1|2,0,0]=4 176 B17R1.1226 CCC(C)CCCCC(=O)Nc1ccncc1 AIFCHEM-94533901428 [0,1,0,0,0,1|2,0,0]=4 177 B17R1.1292 O=C(CCCCCCCO)Nc1ccccn1 AIFCHEM-94586370913 [0,1,0,0,0,1|2,0,0]=4 178 B17R1.1292 O=C(CNCCCCCO)Nc1ccccc1 AIFCHEM-94527747553 [0,1,0,0,0,1|2,0,0]=4 179 B17R1.1304 CCCCCCNC(=O)C(C)c1ccccc1 AIFCHEM-94575444410 [0,1,0,0,0,1|1,0,0]=3 180 B17R1.1304 CCCCCCNC(=O)[C@@H](C)c1ccccc1 AIFCHEM-94575446353 [0,1,0,0,0,1|1,0,0]=3 181 B17R1.1304 CCCCCCNC(=O)[C@H](C)c1ccccc1 AIFCHEM-94571776086 [0,1,0,0,0,1|1,0,0]=3 182 B17R1.1448 CCCCCCN(C)C(=O)Cc1ccncc1 AIFCHEM-94603105763 [0,1,0,0,0,1|2,0,0]=4 183 B17R1.1889 CCCCNC(C)CC(=O)Nc1ccccc1 AIFCHEM-94518875465 [0,1,0,0,0,1|2,0,0]=4 184 B17R1.9274 CCCCCCCC(=O)Nc1cccnc1C AIFCHEM-5847226648 [0,1,0,0,0,1|2,0,0]=4 185 B17R1.9274 CCCCCCCC(=O)Nc1ncccc1C AIFCHEM-6027654112 [0,1,0,0,0,1|2,0,0]=4 186 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Br AIFCHEM-94571771145 [0,1,0,0,0,1|1,0,0]=3 187 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1C AIFCHEM-94575445617 [0,1,0,0,0,1|1,0,0]=3 188 B17R1.9274 CCCCCCNC(=O)Cc1cccnc1Cl AIFCHEM-6121870912 [0,1,0,0,0,1|2,0,0]=4 189 B17R1.9274 O=C(CCCCCCO)Nc1ccccc1F AIFCHEM-94582112471 [0,1,0,0,0,1|2,0,0]=4 190 B17R1.724 CCCCCCC(C)NC(=O)c1ccccn1 AIFCHEM-94531846568 [0,2,0,0,0,0|2,0,0]=4 191 B17R1.724 CCCCCCC(C)NC(=O)c1cccnc1 AIFCHEM-94531844125 [0,2,0,0,0,0|2,0,0]=4 192 B17R1.724 CCCCCC[C@@H](C)NC(=O)c1ccccn1 AIFCHEM-6135768563 [0,2,0,0,0,0|2,0,0]=4 193 B17R1.724 CCCCCC[C@@H](C)NC(=O)c1cccnc1 AIFCHEM-6176254657 [0,2,0,0,0,0|2,0,0]=4 194 B17R1.724 CCCCCC[C@H](C)NC(=O)c1ccccn1 AIFCHEM-5857504953 [0,2,0,0,0,0|2,0,0]=4 195 B17R1.724 CCCCCC[C@H](C)NC(=O)c1cccnc1 AIFCHEM-5798197437 [0,2,0,0,0,0|2,0,0]=4 196 B17R1.39 C#CCCCCCNC(=O)c1ccc(cc1)Cl AIFCHEM-94572001604 [0,2,0,0,0,0|1,0,1]=4 197 B17R1.39 C#CCCCCCNC(=O)c1ccc(cc1)I AIFCHEM-94572000893 [0,2,0,0,0,0|1,0,1]=4 198 B17R1.40 C#CCCCCCNC(=O)c1cccc(c1)C AIFCHEM-94572003157 [0,2,0,0,0,0|1,0,1]=4 199 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)F AIFCHEM-5809861687 [0,2,0,0,0,0|1,0,1]=4 200 B17R1.679 CC(C)CCNCCOC(=O)c1ccccc1 AIFCHEM-94527865085 [0,2,0,0,0,0|0,0,0]=2 201 B17R1.679 O=C(OCCNCCC(F)F)c1ccccc1 AIFCHEM-94527853760 [0,2,0,0,0,0|1,0,0]=3 202 B17R1.754 CCOCCNCCOC(=O)c1ccccc1 AIFCHEM-94527854564 [0,2,0,0,0,0|0,0,0]=2 203 B17R1.956 CCCC(C)NCCOC(=O)c1ccccc1 AIFCHEM-94560474737 [0,2,0,0,0,0|0,0,0]=2 204 B17R1.956 CCC[C@@H](C)NCCOC(=O)c1ccccc1 AIFCHEM-94527853817 [0,2,0,0,0,0|0,0,0]=2 205 B17R1.956 CCC[C@H](C)NCCOC(=O)c1ccccc1 AIFCHEM-94527860852 [0,2,0,0,0,0|0,0,0]=2 206 B17R1.956 CCOC(=O)CCCNC(=O)c1ccccc1 AIFCHEM-94565583544 [0,2,0,0,0,0|1,0,1]=4 207 B17R1.1224 CCC(F)CNCCOC(=O)c1ccccc1 AIFCHEM-94527857434 [0,2,0,0,0,0|0,0,0]=2 208 B17R1.1224 COC(=O)CCCCNC(=O)c1ccccc1 AIFCHEM-94565579853 [0,2,0,0,0,0|1,0,1]=4 209 B17R1.1224 COC(=O)CNCCOC(=O)c1ccccc1 AIFCHEM-94527865409 [0,2,0,0,0,0|1,0,1]=4 210 B17R1.1299 CCCCNC(C)COC(=O)c1ccccc1 AIFCHEM-94570974558 [0,2,0,0,0,0|0,0,0]=2 211 B17R1.6947 C#CCCCCCNC(=O)c1ccccc1Cl AIFCHEM-94562150598 [0,2,0,0,0,0|1,0,1]=4 212 B17R1.6947 COCCOCCNC(=O)c1ccccc1O AIFCHEM-5797453364 [0,2,0,0,0,0|2,0,0]=4 213 B17R1.6947 Cc1ccccc1C(=O)NCCCCCC#N AIFCHEM-5845890872 [0,2,0,0,0,0|1,0,1]=4 214 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)C AIFCHEM-6039231419 [0,2,0,0,0,0|1,0,0]=3 215 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)I AIFCHEM-6019421045 [0,2,0,0,0,0|1,0,0]=3 216 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cn1)I AIFCHEM-6058321017 [0,2,0,0,0,0|2,0,0]=4 217 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cn1)O AIFCHEM-94538168805 [0,2,0,0,0,0|2,0,0]=4 218 B17R1.751 CCCCCCN(C)C(=O)c1ccc(nc1)C AIFCHEM-6075133892 [0,2,0,0,0,0|2,0,0]=4 219 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCCCC AIFCHEM-94571768237 [0,2,0,0,0,0|1,0,0]=3 220 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CO AIFCHEM-6101305399 [0,2,0,0,0,0|1,0,0]=3 221 B17R1.9256 CCCCCCNC(=O)c1ccc(nc1)C#N AIFCHEM-94571775662 [0,2,0,0,0,0|2,0,0]=4 222 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CO AIFCHEM-6281417305 [0,2,0,0,0,0|2,0,0]=4 223 B17R1.9269 CCCCCCNC(=O)c1ccc(c(=O)[nH]1)C AIFCHEM-94571768578 [0,2,0,0,0,0|2,0,0]=4 224 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)I AIFCHEM-94575446528 [0,2,0,0,0,0|1,0,0]=3 225 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Br AIFCHEM-94575444102 [0,2,0,0,0,0|1,0,0]=3 226 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)C AIFCHEM-94575446547 [0,2,0,0,0,0|1,0,0]=3 227 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)F AIFCHEM-6129170055 [0,2,0,0,0,0|1,0,0]=3 228 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)O AIFCHEM-94575447706 [0,2,0,0,0,0|1,0,0]=3 229 B17R1.9269 CCCCCCNC(=O)c1ccc(c(n1)C)F AIFCHEM-6129720144 [0,2,0,0,0,0|2,0,0]=4 230 B17R1.9269 CCCCCCNC(=O)c1cnc(c(c1)Br)O AIFCHEM-6174269483 [0,2,0,0,0,0|2,0,0]=4 231 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)O AIFCHEM-6286538648 [0,2,0,0,0,0|2,0,0]=4 232 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)C AIFCHEM-6208922351 [0,2,0,0,0,0|2,0,0]=4 233 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)O AIFCHEM-6281478609 [0,2,0,0,0,0|2,0,0]=4 234 B17R1.66846 CCCCCCNC(=O)c1c[nH]c(=O)cc1O AIFCHEM-94575444917 [0,2,0,0,0,0|2,0,0]=4 235 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)I AIFCHEM-94575443000 [0,2,0,0,0,0|1,0,0]=3 236 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Cl AIFCHEM-94575446196 [0,2,0,0,0,0|1,0,0]=3 237 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)O AIFCHEM-94575445030 [0,2,0,0,0,0|1,0,0]=3 238 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)I AIFCHEM-94571769144 [0,2,0,0,0,0|1,0,0]=3 239 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)Cl AIFCHEM-6129022881 [0,2,0,0,0,0|1,0,0]=3 240 B17R1.66846 CCCCCCNC(=O)c1cnc(cc1C)C AIFCHEM-94575442226 [0,2,0,0,0,0|2,0,0]=4 241 B17R1.66846 CCCCCCNC(=O)c1ncc(cc1C)Br AIFCHEM-94575447013 [0,2,0,0,0,0|2,0,0]=4 242 B17R1.66846 CCCCCCNC(=O)c1ncc(cc1C)C AIFCHEM-94575444320 [0,2,0,0,0,0|2,0,0]=4 243 B17R1.66846 CCCCCCNC(=O)c1ncc(cc1F)Br AIFCHEM-94575445758 [0,2,0,0,0,0|2,0,0]=4 244 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Cl AIFCHEM-6273726305 [0,2,0,0,0,0|2,0,0]=4 245 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)I AIFCHEM-6253897052 [0,2,0,0,0,0|2,0,0]=4 246 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Br AIFCHEM-6219639171 [0,2,0,0,0,0|2,0,0]=4 247 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)Br AIFCHEM-6254272552 [0,2,0,0,0,0|2,0,0]=4 248 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Br AIFCHEM-94575445316 [0,2,0,0,0,0|1,0,0]=3 249 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Cl AIFCHEM-6174241224 [0,2,0,0,0,0|1,0,0]=3 250 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)O AIFCHEM-6123162514 [0,2,0,0,0,0|1,0,0]=3 251 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)Br AIFCHEM-6220261799 [0,2,0,0,0,0|2,0,0]=4 252 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)O AIFCHEM-6281377337 [0,2,0,0,0,0|2,0,0]=4 253 B17R1.752 CCCCCCN(C)C(=O)c1cc(ccn1)C AIFCHEM-6058795583 [0,2,0,0,0,0|2,0,0]=4 254 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Cl AIFCHEM-6039900630 [0,2,0,0,0,0|1,0,0]=3 255 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)O AIFCHEM-6040412709 [0,2,0,0,0,0|1,0,0]=3 256 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Br AIFCHEM-94575445366 [0,2,0,0,0,0|1,0,0]=3 257 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Cl AIFCHEM-94571775927 [0,2,0,0,0,0|1,0,0]=3 258 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)F AIFCHEM-94575443375 [0,2,0,0,0,0|1,0,0]=3 259 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)O AIFCHEM-94571774797 [0,2,0,0,0,0|1,0,0]=3 260 B17R1.9248 CCCCCCNC(=O)c1cc(cnc1C)Cl AIFCHEM-94571768351 [0,2,0,0,0,0|2,0,0]=4 261 B17R1.9248 CCCCCCNC(=O)c1cc(cnc1O)I AIFCHEM-94571773580 [0,2,0,0,0,0|2,0,0]=4 262 B17R1.9248 CCCCCCNC(=O)c1nc(ccc1O)C AIFCHEM-6129624277 [0,2,0,0,0,0|2,0,0]=4 263 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)O AIFCHEM-6281378285 [0,2,0,0,0,0|2,0,0]=4 264 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Br AIFCHEM-6273782926 [0,2,0,0,0,0|2,0,0]=4 265 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Cl AIFCHEM-6254215847 [0,2,0,0,0,0|2,0,0]=4 266 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)C AIFCHEM-94571774923 [0,2,0,0,0,0|1,0,0]=3 267 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)F AIFCHEM-94575442608 [0,2,0,0,0,0|1,0,0]=3 268 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)C AIFCHEM-94571774415 [0,2,0,0,0,0|1,0,0]=3 269 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Br AIFCHEM-6103060311 [0,2,0,0,0,0|1,0,0]=3 270 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)C AIFCHEM-6123271069 [0,2,0,0,0,0|1,0,0]=3 271 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)F AIFCHEM-94571775782 [0,2,0,0,0,0|1,0,0]=3 272 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)O)C AIFCHEM-94571774919 [0,2,0,0,0,0|1,0,0]=3 273 B17R1.9253 CCCCCCNC(=O)c1cc(cc(n1)C)C AIFCHEM-6123504433 [0,2,0,0,0,0|2,0,0]=4 274 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)Cl AIFCHEM-6254012858 [0,2,0,0,0,0|2,0,0]=4 275 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)C AIFCHEM-6254150824 [0,2,0,0,0,0|2,0,0]=4 276 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)CC AIFCHEM-6281370510 [0,2,0,0,0,0|2,0,0]=4 277 B17R1.14339 CN(C)CCCCNC(=O)c1cccc(c1)Br AIFCHEM-5749103104 [0,2,0,0,0,0|2,0,0]=4 278 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1Cl AIFCHEM-94602187591 [0,2,0,0,0,0|2,0,0]=4 279 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1F AIFCHEM-94602192803 [0,2,0,0,0,0|2,0,0]=4 280 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1O AIFCHEM-5697997090 [0,2,0,0,0,0|2,0,0]=4 281 B17R1.13883 Cc1ccccc1C(=O)NCCCCN(C)C AIFCHEM-94602187590 [0,2,0,0,0,0|2,0,0]=4 282 B17R1.16645 CC(C)(C)OCCCNC(=O)c1ccccc1 AIFCHEM-94565572706 [0,2,0,0,0,0|2,0,0]=4 283 B17R1.971 CC(COC(=O)c1ccccc1)N(C)CCO AIFCHEM-6458082924 [0,2,0,0,0,0|2,0,0]=4 284 B17R1.317 CCCCCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568301111 [0,2,0,0,0,0|1,0,0]=3 285 B17R1.317 CCCCCCN(CC)C(=O)c1ccccn1 AIFCHEM-100053912620 [0,2,0,0,0,0|2,0,0]=4 286 B17R1.317 CCCCCCN(CC)C(=O)c1cccnc1 AIFCHEM-96136347653 [0,2,0,0,0,0|2,0,0]=4 287 B17R1.317 CCCCCCN(CC)C(=O)c1ccncc1 AIFCHEM-99478471129 [0,2,0,0,0,0|2,0,0]=4 288 B17R1.317 CCOCCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568041488 [0,2,0,0,0,0|2,0,0]=4 289 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1C AIFCHEM-6013873676 [0,2,0,0,0,0|1,0,0]=3 290 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Cl AIFCHEM-94562154663 [0,2,0,0,0,0|1,0,0]=3 291 B17R1.140 CCN(CCO)CCOC(=O)c1ccccc1 AIFCHEM-94527854563 [0,2,0,0,0,0|2,0,0]=4 292 B17R1.618 CCC(CO)NCCOC(=O)c1ccccc1 AIFCHEM-94527870070 [0,2,0,0,0,0|1,0,0]=3 293 B17R1.618 CC[C@@H](CO)NCCOC(=O)c1ccccc1 AIFCHEM-94527865644 [0,2,0,0,0,0|1,0,0]=3 294 B17R1.618 CC[C@H](CO)NCCOC(=O)c1ccccc1 AIFCHEM-94527865645 [0,2,0,0,0,0|1,0,0]=3 295 B17R1.9267 C#Cc1ccccc1C(=O)NCCCCCC AIFCHEM-94575443425 [0,2,0,0,0,0|1,0,0]=3 296 B17R1.9267 CCCCCCNC(=O)c1ccccc1OC AIFCHEM-94571774879 [0,2,0,0,0,0|1,0,0]=3 297 B17R1.9267 CCCCCCNC(=O)c1cccnc1OC AIFCHEM-94575440880 [0,2,0,0,0,0|2,0,0]=4 298 B17R1.269097 CCCCCCNC(=O)c1c(cccc1C)C AIFCHEM-6101433046 [0,2,0,0,0,0|1,0,0]=3 299 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)F AIFCHEM-94571773540 [0,2,0,0,0,0|1,0,0]=3 300 B17R1.269097 CCCCCCNC(=O)c1c(cccc1O)C AIFCHEM-94575445055 [0,2,0,0,0,0|1,0,0]=3 301 B17R1.269097 CCCCCCNC(=O)c1c(cccc1O)O AIFCHEM-94571772866 [0,2,0,0,0,0|1,0,0]=3 302 B17R1.269097 CCCCCCNC(=O)c1c(cncc1Cl)Cl AIFCHEM-94575440134 [0,2,0,0,0,0|2,0,0]=4 303 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)O AIFCHEM-6253738726 [0,2,0,0,0,0|2,0,0]=4 304 B15R2.395 CC1CCCN1C(=O)c2ccccc2 AIFCHEM-94565582129 [1,0,0,1,0,0|1,0,0]=3 305 B15R2.395 CC1CCCN1C(=O)c2ccccn2 AIFCHEM-94578922566 [1,0,0,1,0,0|2,0,0]=4 306 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 AIFCHEM-94565581110 [1,0,0,1,0,0|1,0,0]=3 307 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccn2 AIFCHEM-6077877873 [1,0,0,1,0,0|2,0,0]=4 308 B15R2.395 C[C@H]1CCCN1C(=O)c2ccccc2 AIFCHEM-94569875076 [1,0,0,1,0,0|1,0,0]=3 309 B15R2.395 C[C@H]1CCCN1C(=O)c2ccccn2 AIFCHEM-5675572012 [1,0,0,1,0,0|2,0,0]=4 310 B15R2.55 CC1CCCC1NCc2ccccc2 AIFCHEM-94539145124 [1,0,0,1,0,0|1,0,1]=4 311 B15R2.118 CCC1CCCC1Nc2ccccc2 AIFCHEM-94552035882 [1,0,0,1,0,0|2,0,0]=4 312 B15R2.2195 C(=CC1CCCCC1)c2cccnc2 AIFCHEM-6317554602 [1,0,0,1,0,0|2,0,0]=4 313 B15R2.64 O=C(NC1CCCCC1)c2cc[nH]c2 AIFCHEM-94539539587 [0,0,0,1,1,0|2,0,0]=4 314 B15R2.358 C[C@@H]1CCCCN1C(=O)c2ccco2 AIFCHEM-5769270144 [0,0,0,1,1,0|2,0,0]=4 315 B15R2.358 C[C@@H]1CCCCN1C(=O)c2ccoc2 AIFCHEM-5687263314 [0,0,0,1,1,0|2,0,0]=4 316 B15R2.358 C[C@H]1CCCCN1C(=O)c2ccco2 AIFCHEM-94588097023 [0,0,0,1,1,0|2,0,0]=4 317 B15R2.358 C[C@H]1CCCCN1C(=O)c2ccoc2 AIFCHEM-5979373267 [0,0,0,1,1,0|2,0,0]=4 318 B15R2.3989 O=C(NCC1CCCC1)c2ccoc2 AIFCHEM-94573925950 [0,0,0,1,1,0|2,0,0]=4 319 B17R2.143 O=C(Cc1ccncc1)NC2CCCCC2 AIFCHEM-94539537896 [0,0,0,1,0,1|2,0,0]=4 320 B17R2.2825 CCC1CCCN1C(=O)Cc2cccnc2 AIFCHEM-5809952976 [0,0,0,1,0,1|2,0,0]=4 321 B17R2.8341 O=C(CCC1CCCC1)Nc2cccnc2 AIFCHEM-94531009907 [0,0,0,1,0,1|2,0,0]=4 322 B17R2.5268 CC1CCCC(N1C(=O)c2cccnc2)C AIFCHEM-94544339487 [0,1,0,1,0,0|2,0,0]=4 323 B17R2.5268 C[C@@H]1CCC[C@@H](N1C(=O)c2cccnc2)C AIFCHEM-94552492509 [0,1,0,1,0,0|2,0,0]=4 324 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 AIFCHEM-94565583467 [0,1,0,1,0,0|1,0,0]=3 325 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccn2 AIFCHEM-6229261439 [0,1,0,1,0,0|2,0,0]=4 326 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccncc2 AIFCHEM-6248082012 [0,1,0,1,0,0|2,0,0]=4 327 B17R2.5293 CN1CCCC(C1)NC(=O)c2ccccc2 AIFCHEM-94565585352 [0,1,0,1,0,0|2,0,0]=4 328 B17R2.5293 CN1CCC[C@@H](C1)NC(=O)c2ccccc2 AIFCHEM-94565585435 [0,1,0,1,0,0|2,0,0]=4 329 B17R2.5293 CN1CCC[C@H](C1)NC(=O)c2ccccc2 AIFCHEM-94565573800 [0,1,0,1,0,0|2,0,0]=4 330 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 AIFCHEM-94565582114 [0,1,0,1,0,0|1,0,0]=3 331 B17R2.2342 O=C(NCC1CCCCO1)c2cccnc2 AIFCHEM-94560328196 [0,1,0,1,0,0|2,0,0]=4 332 B17R2.2342 O=C(NCC1CCCOC1)c2ccccn2 AIFCHEM-5886024730 [0,1,0,1,0,0|2,0,0]=4 333 B17R2.2342 O=C(NCC1CCCOC1)c2cccnc2 AIFCHEM-5824182601 [0,1,0,1,0,0|2,0,0]=4 334 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 AIFCHEM-94565580791 [0,1,0,1,0,0|1,0,0]=3 335 B17R2.2845 N#CC1CCCC1NC(=O)c2ccccc2 AIFCHEM-94565584392 [0,1,0,1,0,0|1,0,1]=4 336 B17R2.3426 CC1CCCCC1NC(=O)c2ccccc2 AIFCHEM-94565583625 [0,1,0,1,0,0|1,0,0]=3 337 B17R2.3426 C[C@@H]1CCCC[C@@H]1NC(=O)c2ccccc2 AIFCHEM-94565584344 [0,1,0,1,0,0|1,0,0]=3 338 B17R2.3426 C[C@@H]1CCCC[C@@H]1NC(=O)c2ccccn2 AIFCHEM-5788896780 [0,1,0,1,0,0|2,0,0]=4 339 B17R2.3426 C[C@@H]1CCCC[C@H]1NC(=O)c2ccccc2 AIFCHEM-94565580852 [0,1,0,1,0,0|1,0,0]=3 340 B17R2.3426 C[C@@H]1CCCC[C@H]1NC(=O)c2ccccn2 AIFCHEM-5784678298 [0,1,0,1,0,0|2,0,0]=4 341 B17R2.3426 C[C@H]1CCCC[C@H]1NC(=O)c2ccccc2 AIFCHEM-94565584345 [0,1,0,1,0,0|1,0,0]=3 342 B17R2.3426 C[C@H]1CCCC[C@H]1NC(=O)c2ccccn2 AIFCHEM-94605797451 [0,1,0,1,0,0|2,0,0]=4 343 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1F)c2ccccc2 AIFCHEM-94565584022 [0,1,0,1,0,0|1,0,0]=3 344 B17R2.3519 CN1CCCC1CNC(=O)c2ccncc2 AIFCHEM-5688347481 [0,1,0,1,0,0|2,0,0]=4 345 B17R2.3519 CN1CCC[C@@H]1CNC(=O)c2cccnc2 AIFCHEM-5608788911 [0,1,0,1,0,0|2,0,0]=4 346 B17R2.3519 CN1CCC[C@@H]1CNC(=O)c2ccncc2 AIFCHEM-5659093956 [0,1,0,1,0,0|2,0,0]=4 347 B17R2.3519 CN1CCC[C@H]1CNC(=O)c2cccnc2 AIFCHEM-94585440387 [0,1,0,1,0,0|2,0,0]=4 348 B17R2.3519 CN1CCC[C@H]1CNC(=O)c2ccncc2 AIFCHEM-5958855003 [0,1,0,1,0,0|2,0,0]=4 349 B17R2.4082 COC[C@@H]1CCCN1C(=O)c2ccccc2 AIFCHEM-94565582987 [0,1,0,1,0,0|1,0,0]=3 350 B17R2.4082 COC[C@@H]1CCCN1C(=O)c2ccccn2 AIFCHEM-94578923424 [0,1,0,1,0,0|2,0,0]=4 351 B17R2.4082 COC[C@H]1CCCN1C(=O)c2ccccc2 AIFCHEM-94565584580 [0,1,0,1,0,0|1,0,0]=3 352 B17R2.4082 COC[C@H]1CCCN1C(=O)c2ccccn2 AIFCHEM-94590584843 [0,1,0,1,0,0|2,0,0]=4 353 B17R2.4082 COC[C@H]1CCCN1C(=O)c2ccncc2 AIFCHEM-5916755925 [0,1,0,1,0,0|2,0,0]=4 354 B17R2.5721 O=C(OCCNC1CCC1)c2ccccc2 AIFCHEM-94527866193 [0,1,0,1,0,0|0,0,0]=2 355 B17R2.5721 O=C(OCCNC1CSC1)c2ccccc2 AIFCHEM-94527856673 [0,1,0,1,0,0|1,0,0]=3 356 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)F AIFCHEM-94537972009 [0,1,0,1,0,0|2,0,0]=4 357 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)O AIFCHEM-94574407799 [0,1,0,1,0,0|2,0,0]=4 358 B17R2.381 C[C@@H]1CCCCN1C(=O)c2ccc(cc2)I AIFCHEM-5721426932 [0,1,0,1,0,0|1,0,0]=3 359 B17R2.381 C[C@H]1CCCCN1C(=O)c2ccc(cc2)I AIFCHEM-94588095544 [0,1,0,1,0,0|1,0,0]=3 360 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cn2)C AIFCHEM-5817127824 [0,1,0,1,0,0|2,0,0]=4 361 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cn2)Cl AIFCHEM-5809933080 [0,1,0,1,0,0|2,0,0]=4 362 B17R2.3190 Cc1ccc(cc1)C(=O)N2CCC[C@H]2CF AIFCHEM-6265239655 [0,1,0,1,0,0|2,0,0]=4 363 B17R2.3190 O=C(c1ccc(cc1)Br)N2CCC[C@H]2CF AIFCHEM-6205283146 [0,1,0,1,0,0|2,0,0]=4 364 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@@H]2CCCO2 AIFCHEM-94573421776 [0,1,0,1,0,0|2,0,0]=4 365 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@@H]2CCOC2 AIFCHEM-5690947683 [0,1,0,1,0,0|2,0,0]=4 366 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@H]2CCCO2 AIFCHEM-5667085127 [0,1,0,1,0,0|2,0,0]=4 367 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@H]2CCOC2 AIFCHEM-5993992676 [0,1,0,1,0,0|2,0,0]=4 368 B17R2.3283 Cc1ccc(nc1)C(=O)NCC2CCCC2 AIFCHEM-94573922711 [0,1,0,1,0,0|2,0,0]=4 369 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)O AIFCHEM-94573929262 [0,1,0,1,0,0|1,0,0]=3 370 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cn2)Cl AIFCHEM-6117740412 [0,1,0,1,0,0|2,0,0]=4 371 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)F AIFCHEM-94535553637 [0,1,0,1,0,0|2,0,0]=4 372 B17R2.3283 O=C(NC[C@@H]1CCOC1)c2ccc(cc2)F AIFCHEM-94530328551 [0,1,0,1,0,0|2,0,0]=4 373 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCOCC2 AIFCHEM-5792495482 [0,1,0,1,0,0|2,0,0]=4 374 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCOCC2 AIFCHEM-5814642069 [0,1,0,1,0,0|2,0,0]=4 375 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCOCC2 AIFCHEM-5792083860 [0,1,0,1,0,0|2,0,0]=4 376 B17R2.2824 CCC1CCCN1C(=O)c2cccc(=O)[nH]2 AIFCHEM-5850979486 [0,1,0,1,0,0|2,0,0]=4 377 B17R2.2824 O=C(c1cccc(c1)F)N2CCC[C@H]2CF AIFCHEM-6205249278 [0,1,0,1,0,0|2,0,0]=4 378 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCCC2 AIFCHEM-94573929250 [0,1,0,1,0,0|1,0,0]=3 379 B17R2.3378 Cc1ccnc(c1)C(=O)NCC2CCCC2 AIFCHEM-94573925500 [0,1,0,1,0,0|2,0,0]=4 380 B17R2.3378 O=C(NCC1CCCC1)c2cc(=O)cco2 AIFCHEM-6159477376 [0,1,0,1,0,0|2,0,0]=4 381 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Br AIFCHEM-5782065988 [0,1,0,1,0,0|2,0,0]=4 382 B17R2.3378 O=C(NC[C@@H]1CCOC1)c2cccc(c2)I AIFCHEM-94530329722 [0,1,0,1,0,0|2,0,0]=4 383 B17R2.3378 O=C(NC[C@H]1CCCO1)c2cccc(c2)Br AIFCHEM-94552582404 [0,1,0,1,0,0|2,0,0]=4 384 B17R2.5273 O=C(NC1CCCCC1)c2cc(=O)cco2 AIFCHEM-94551508555 [0,1,0,1,0,0|2,0,0]=4 385 B17R2.5273 O=C(NC1CCCCC1)c2cccc(=O)[nH]2 AIFCHEM-94539533809 [0,1,0,1,0,0|2,0,0]=4 386 B17R2.5273 O=C(NC1CCCCC1)c2cncc(c2)O AIFCHEM-5973528105 [0,1,0,1,0,0|2,0,0]=4 387 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Br AIFCHEM-94589557116 [0,1,0,1,0,0|2,0,0]=4 388 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)O AIFCHEM-94574195245 [0,1,0,1,0,0|2,0,0]=4 389 B17R2.5273 O=C(N[C@@H]1CCCOC1)c2cccc(c2)Br AIFCHEM-94588277800 [0,1,0,1,0,0|2,0,0]=4 390 B17R2.5273 O=C(N[C@H]1CCCOC1)c2cccc(c2)Br AIFCHEM-6133854145 [0,1,0,1,0,0|2,0,0]=4 391 B17R2.41752 C[C@@H]1CCCCN1C(=O)c2cccc(c2)O AIFCHEM-5743536649 [0,1,0,1,0,0|1,0,0]=3 392 B17R2.41752 C[C@@H]1CCCCN1C(=O)c2cncc(c2)Br AIFCHEM-5773886028 [0,1,0,1,0,0|2,0,0]=4 393 B17R2.41752 C[C@@H]1COCCN1C(=O)c2cccc(c2)I AIFCHEM-94569775167 [0,1,0,1,0,0|2,0,0]=4 394 B17R2.41752 C[C@H]1CCCCN1C(=O)c2cccc(c2)O AIFCHEM-94588097809 [0,1,0,1,0,0|1,0,0]=3 395 B17R2.41752 C[C@H]1CCCCN1C(=O)c2cncc(c2)Br AIFCHEM-94588092067 [0,1,0,1,0,0|2,0,0]=4 396 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)I AIFCHEM-94571075066 [0,1,0,1,0,0|2,0,0]=4 397 B17R2.273415 O=C(c1cccc(c1)I)N2CCCOCC2 AIFCHEM-94553875189 [0,1,0,1,0,0|2,0,0]=4 398 B17R2.5223 CC1CN(C1)CCOC(=O)c2ccccc2 AIFCHEM-94527869725 [0,1,0,1,0,0|1,0,0]=3 399 B17R2.5730 O=C(NC1CCCC1(F)F)c2ccccc2 AIFCHEM-94565585698 [0,1,0,1,0,0|2,0,0]=4 400 B17R2.1797 CCC1CN(CCO1)C(=O)c2ccccc2 AIFCHEM-94530649616 [0,1,0,1,0,0|2,0,0]=4 401 B17R2.1797 CC[C@H]1CN(CCO1)C(=O)c2ccccc2 AIFCHEM-94565576247 [0,1,0,1,0,0|2,0,0]=4 402 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CF AIFCHEM-94565574854 [0,1,0,1,0,0|2,0,0]=4 403 B17R2.10205 CN(C(=O)c1ccccc1)C2CCCCC2 AIFCHEM-94565556939 [0,1,0,1,0,0|1,0,0]=3 404 B17R2.10205 CN(C(=O)c1ccccc1)C2CCOCC2 AIFCHEM-94565580826 [0,1,0,1,0,0|2,0,0]=4 405 B17R2.5362 CC1CN(CCN1C(=O)c2ccccc2)C AIFCHEM-94565574640 [0,1,0,1,0,0|2,0,0]=4 406 B17R2.5362 C[C@@H]1CN(CCN1C(=O)c2ccccc2)C AIFCHEM-94604070968 [0,1,0,1,0,0|2,0,0]=4 407 B17R2.5362 C[C@H]1CN(CCN1C(=O)c2ccccc2)C AIFCHEM-94565573750 [0,1,0,1,0,0|2,0,0]=4 408 B17R2.24146 CC1CCCN(CC1)C(=O)c2cccnc2 AIFCHEM-6018887295 [0,1,0,1,0,0|2,0,0]=4 409 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccncc2 AIFCHEM-6013364222 [0,1,0,1,0,0|2,0,0]=4 410 B17R2.24146 O=C(c1ccccn1)N2CCCC(CC2)F AIFCHEM-5852286804 [0,1,0,1,0,0|2,0,0]=4 411 B17R2.24146 O=C1CCCN(CC1)C(=O)c2ccccc2 AIFCHEM-94565581683 [0,1,0,1,0,0|1,0,1]=4 412 B17R2.209 C[C@H]1CC[C@@H](CC1)NC(=O)c2ccncc2 AIFCHEM-94605988652 [0,1,0,1,0,0|2,0,0]=4 413 B17R2.209 C[C@H]1CC[C@H](CC1)NC(=O)c2ccncc2 AIFCHEM-5969557632 [0,1,0,1,0,0|2,0,0]=4 414 B17R2.3950 O=C(NCC1CCCC1)c2c[nH]ccc2=O AIFCHEM-94573926908 [0,1,0,1,0,0|2,0,0]=4 415 B17R2.3950 O=C(NCC1CCCC1)c2ccncc2I AIFCHEM-94573926693 [0,1,0,1,0,0|2,0,0]=4 416 B17R2.3950 O=C(NCC1CCCC1)c2ccncc2O AIFCHEM-94573919786 [0,1,0,1,0,0|2,0,0]=4 417 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Br AIFCHEM-5782317032 [0,1,0,1,0,0|2,0,0]=4 418 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2F AIFCHEM-94573418256 [0,1,0,1,0,0|2,0,0]=4 419 B17R2.3950 O=C(NC[C@@H]1CCOC1)c2ccccc2I AIFCHEM-5743530645 [0,1,0,1,0,0|2,0,0]=4 420 B17R2.3950 O=C(NC[C@H]1CCCO1)c2ccccc2Br AIFCHEM-5601078244 [0,1,0,1,0,0|2,0,0]=4 421 B17R2.3950 O=C(NC[C@H]1CCCO1)c2ccccc2F AIFCHEM-5601532795 [0,1,0,1,0,0|2,0,0]=4 422 B17R2.3950 O=C(NC[C@H]1CCOC1)c2ccccc2I AIFCHEM-5993974302 [0,1,0,1,0,0|2,0,0]=4 423 B17R2.13374 CCC1CCCN1C(=O)c2ccc[nH]c2=O AIFCHEM-5883249954 [0,1,0,1,0,0|2,0,0]=4 424 B17R2.13374 CCC1CCCN1C(=O)c2ncccc2I AIFCHEM-5876065121 [0,1,0,1,0,0|2,0,0]=4 425 B17R2.13374 CCC1CCCN1C(=O)c2ncccc2O AIFCHEM-5834588720 [0,1,0,1,0,0|2,0,0]=4 426 B17R2.13374 O=C(c1ccccc1Cl)N2CCC[C@H]2CF AIFCHEM-94562158557 [0,1,0,1,0,0|2,0,0]=4 427 B17R2.20511 C[C@@H]1CCCCN1C(=O)c2ccccc2Br AIFCHEM-5687325243 [0,1,0,1,0,0|1,0,0]=3 428 B17R2.20511 C[C@@H]1CCCCN1C(=O)c2ccncc2Br AIFCHEM-5687056813 [0,1,0,1,0,0|2,0,0]=4 429 B17R2.20511 C[C@@H]1CCCCN1C(=O)c2ccncc2I AIFCHEM-5710577570 [0,1,0,1,0,0|2,0,0]=4 430 B17R2.20511 C[C@@H]1CCCCN1C(=O)c2ncccc2Br AIFCHEM-5749248570 [0,1,0,1,0,0|2,0,0]=4 431 B17R2.20511 C[C@@H]1CCCCN1C(=O)c2ncccc2I AIFCHEM-5694536469 [0,1,0,1,0,0|2,0,0]=4 432 B17R2.20511 C[C@@H]1COCCN1C(=O)c2ccccc2Br AIFCHEM-94569776661 [0,1,0,1,0,0|2,0,0]=4 433 B17R2.20511 C[C@H]1CCCCN1C(=O)c2ccccc2Br AIFCHEM-94588097024 [0,1,0,1,0,0|1,0,0]=3 434 B17R2.20511 C[C@H]1CCCCN1C(=O)c2ccncc2Br AIFCHEM-94588090244 [0,1,0,1,0,0|2,0,0]=4 435 B17R2.20511 C[C@H]1CCCCN1C(=O)c2ccncc2I AIFCHEM-5890211032 [0,1,0,1,0,0|2,0,0]=4 436 B17R2.20511 C[C@H]1CCCCN1C(=O)c2ncccc2Br AIFCHEM-5913774106 [0,1,0,1,0,0|2,0,0]=4 437 B17R2.20511 C[C@H]1CCCCN1C(=O)c2ncccc2I AIFCHEM-5891895316 [0,1,0,1,0,0|2,0,0]=4 438 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Br AIFCHEM-5774161821 [0,1,0,1,0,0|2,0,0]=4 439 B17R3.67215 O=C(NC1C2C1COC2)c3ccccc3 AIFCHEM-94565583537 [0,0,0,2,0,0|2,0,0]=4 440 B17R3.67215 O=C(N[C@H]1[C@H]2[C@@H]1COC2)c3ccccc3 AIFCHEM-94565573165 [0,0,0,2,0,0|2,0,0]=4 441 B17R3.128644 O=C(c1cccnc1)N2C3CCC2CC3 AIFCHEM-5641322685 [0,0,0,2,0,0|2,0,0]=4 442 B17R3.1872917 O=C(c1ccccc1)N2CCC23CCC3 AIFCHEM-94565576607 [0,0,0,2,0,0|1,0,0]=3 443 B13R1.48 CCCCCNC(=O)c1ccc[nH]1 AIFCHEM-94552831413 [1,0,0,0,1,0|2,0,0]=4 444 B13R1.48 CCCCCNC(=O)c1ccoc1 AIFCHEM-94522662700 [1,0,0,0,1,0|2,0,0]=4 445 B13R1.119 CCCCCCC=Cc1ccsc1 AIFCHEM-6321060045 [1,0,0,0,1,0|2,0,0]=4 446 B17R1.1287 CCCCCCNC(=O)CCc1ccccn1 AIFCHEM-6129833551 [0,0,0,0,0,2|2,0,0]=4 447 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 AIFCHEM-94575446788 [0,0,0,0,0,2|2,0,0]=4 448 B17R1.1287 CCCCCCNC(=O)CSc1ccncc1 AIFCHEM-94591213769 [0,0,0,0,0,2|2,0,0]=4 449 B17R1.1287 CCNCCCNC(=O)OCc1ccccc1 AIFCHEM-94537416782 [0,0,0,0,0,2|2,0,0]=4 450 B17R1.1287 O=C(CCCCCCO)NCc1ccccc1 AIFCHEM-5867993812 [0,0,0,0,0,2|2,0,0]=4