0 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.3 CCNC(CC)c1ccccn1 AIFCHEM-94537413631 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.3 CCNC(CC)c1ccncc1 AIFCHEM-94537423405 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.16 CCCN(C)c1ccc(nc1)F AIFCHEM-94569013369 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.30 CCCCN(C)c1ccncc1 AIFCHEM-94523028571 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.30 CCCNC(C)c1cnccn1 AIFCHEM-94569014093 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.107 CC(C)CN(C)c1cccnc1 AIFCHEM-94572976595 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,0,0,1,0,0|1,0,2]=4 38 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [0,0,0,0,1,0|3,0,0]=4 40 B12R1.32 CCCN(C)Cc1ccccn1 AIFCHEM-5860218756 [0,0,0,0,0,1|3,0,0]=4 41 B12R1.32 COCC(C)Nc1ccncc1 AIFCHEM-94533893127 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.23 CCN(C)c1ccnc(c1)Br AIFCHEM-94537425886 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.23 CCN(C)c1cncc(c1)C AIFCHEM-94537416284 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.222 CCN(C)c1cnccc1C AIFCHEM-94537425388 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.1 CCCNc1ccc(cc1)F AIFCHEM-94569015457 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.1 CCNCc1ccc(cc1)Cl AIFCHEM-94537411696 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.1 CCNCc1ccc(cc1)F AIFCHEM-94530368408 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.17 CCCNc1ccccc1F AIFCHEM-94569019341 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.17 CCNCc1ccccc1F AIFCHEM-94520796946 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.17 CCNCc1ccccc1O AIFCHEM-94537427248 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.24 CCCNc1cccc(c1)Br AIFCHEM-94552679825 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.24 CCCNc1cccc(c1)F AIFCHEM-94579349397 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.24 CCNCc1cccc(c1)C AIFCHEM-94537252418 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 CCCNCc1ccncc1 AIFCHEM-5790435281 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.19 CC(CC#N)Nc1ccc(cc1)Br AIFCHEM-94608712676 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.19 CC(CCO)Nc1ccc(cc1)F AIFCHEM-94552020214 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.19 CCCC(C)Nc1ccc(cc1)F AIFCHEM-94606122787 [0,1,0,0,0,1|1,0,0]=3 68 B13R1.19 CCCN(C)Cc1ccc(cc1)Br AIFCHEM-94538720467 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.19 CCCN(C)Cc1ccc(cc1)C AIFCHEM-94569021655 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl AIFCHEM-5860345714 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.20 CCCC(C)Nc1cccc(c1)Br AIFCHEM-94552678942 [0,1,0,0,0,1|1,0,0]=3 72 B13R1.20 CCCC(C)Nc1ccnc(c1)C AIFCHEM-94606114013 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.20 CCCC(C)Nc1cncc(c1)Cl AIFCHEM-94606115408 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.20 COCC(C)Nc1cccc(c1)C AIFCHEM-94565747617 [0,1,0,0,0,1|1,0,0]=3 75 B13R1.20 COCC(C)Nc1cccc(c1)Cl AIFCHEM-94523491911 [0,1,0,0,0,1|1,0,0]=3 76 B13R1.20 Cc1cccc(c1)NC(C)CCO AIFCHEM-6102439901 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.44 CCCCN(C)Cc1ccccc1 AIFCHEM-94536079434 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.44 CSCCC(C)Nc1ccncc1 AIFCHEM-94533891775 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.47 CCCN(C)C(=O)c1ccccc1 AIFCHEM-94565582921 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.470 CCCN(C)Cc1ccccc1Cl AIFCHEM-94569024444 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.470 CCCN(C)Cc1ccccc1F AIFCHEM-5878765147 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.470 CCCN(C)Cc1ccccc1O AIFCHEM-94532467853 [0,1,0,0,0,1|2,0,0]=4 83 B13R1.470 COCC(C)Nc1ccccc1O AIFCHEM-94525218393 [0,1,0,0,0,1|1,0,0]=3 84 B13R1.1 CCNC(CC)c1ccc(cc1)Br AIFCHEM-94537426868 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br AIFCHEM-94605842372 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.1 CCN[C@H](CC)c1ccc(cc1)Br AIFCHEM-94537426028 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.26 CCCCN(CC)c1ccccc1 AIFCHEM-94537412306 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.26 CCCNC(CC)c1ccccn1 AIFCHEM-94521368961 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.26 CCN(CCCO)c1ccccc1 AIFCHEM-94537420050 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.173 CCN[C@@H](CO)c1ccccc1F AIFCHEM-94537413371 [0,2,0,0,0,0|2,0,0]=4 91 B13R1.173 CCN[C@H](CO)c1ccccc1F AIFCHEM-94561041600 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.398 CCN[C@@H](COC)c1ccccc1 AIFCHEM-94537424022 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.398 CCN[C@H](COC)c1ccccc1 AIFCHEM-94522829725 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.405 CCCN(C(=O)C)c1ccccc1 AIFCHEM-94685539819 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.713 CCN(CC(C)C)c1ccccc1 AIFCHEM-94562512824 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.17 CC(NCCF)c1ccc(cc1)Br AIFCHEM-5853638847 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.17 CC(NCCF)c1ccc(cc1)Cl AIFCHEM-94524374551 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.17 CC(NCCO)c1ccc(cc1)Br AIFCHEM-6481581836 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.17 CC(NCCO)c1ccc(cc1)F AIFCHEM-94577778817 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.17 CC(NCCO)c1ccc(cc1)O AIFCHEM-94577781653 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.17 CCCCN(C)c1ccc(cc1)C AIFCHEM-94523039972 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.17 CCCNC(C)c1ccc(cn1)Br AIFCHEM-5814810328 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.17 CCCNC(C)c1ccc(cn1)C AIFCHEM-94521370023 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.17 CCCNC(C)c1ccc(cn1)Cl AIFCHEM-94543395234 [0,2,0,0,0,0|2,0,0]=4 105 B13R1.17 CCCNC(C)c1ccc(nc1)C AIFCHEM-94521369235 [0,2,0,0,0,0|2,0,0]=4 106 B13R1.17 CCCN[C@@H](C)c1ccc(cn1)Br AIFCHEM-94537375553 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.17 CCCN[C@H](C)c1ccc(cn1)Br AIFCHEM-94569024646 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.21 CCN(C)[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94537418041 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.29 CCNC(C)(C)c1ccc(cc1)Cl AIFCHEM-94527290244 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.132 CC(=O)NC(C)c1ccc(cc1)Br AIFCHEM-5787514248 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)Br AIFCHEM-94605351492 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O AIFCHEM-94605335334 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br AIFCHEM-5772270039 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)O AIFCHEM-5627835211 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl AIFCHEM-94572986588 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.132 CC(C)CN(C)c1ccc(cc1)F AIFCHEM-94572981185 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C AIFCHEM-94572982996 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.452 CCCN(C)c1ccc(cc1)OC AIFCHEM-94569008915 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.452 CCNC(C)c1ccc(cc1)CC AIFCHEM-94537415691 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.466 CCNC(C)c1ccc(c(c1)C)F AIFCHEM-94576212269 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)Cl AIFCHEM-94583786479 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.466 CCNC(C)c1ccc(c(c1)F)F AIFCHEM-94537419613 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)C)F AIFCHEM-94537413356 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)Cl)Cl AIFCHEM-94549769915 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)F AIFCHEM-94553998507 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.466 CCN[C@H](C)c1ccc(c(c1)Cl)Cl AIFCHEM-94537415842 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.466 CCN[C@H](C)c1ccc(c(c1)F)F AIFCHEM-94537421693 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.1511 CCN[C@@H](C)c1ccc(cc1Br)F AIFCHEM-94537416350 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.1511 CCN[C@H](C)c1ccc(cc1Br)F AIFCHEM-94537416351 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.18 CCCCN(C)c1cccc(c1)Cl AIFCHEM-94523040904 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.18 CCCNC(C)c1cccc(c1)Cl AIFCHEM-94569018313 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.18 CCCNC(C)c1ccnc(c1)C AIFCHEM-94521368653 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.18 CCCNC(C)c1cncc(c1)Br AIFCHEM-94521369366 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.18 CCCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94569021460 [0,2,0,0,0,0|1,0,0]=3 135 B13R1.18 CCCN[C@@H](C)c1cccc(c1)O AIFCHEM-94569016771 [0,2,0,0,0,0|1,0,0]=3 136 B13R1.18 CCCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94569013764 [0,2,0,0,0,0|1,0,0]=3 137 B13R1.18 CCCN[C@H](C)c1cccc(c1)O AIFCHEM-94569023112 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.18 CCCN[C@H](C)c1cncc(c1)Br AIFCHEM-94569010422 [0,2,0,0,0,0|2,0,0]=4 139 B13R1.147 CC(=O)N[C@@H](C)c1cccc(c1)O AIFCHEM-94586561523 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)O AIFCHEM-94535600030 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl AIFCHEM-94572983928 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.147 CC(C)CN(C)c1cccc(c1)F AIFCHEM-94572977069 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.446 CCCN(C)c1cc(ccc1C)Cl AIFCHEM-94569018523 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.446 CCNC(C)c1cc(ccc1F)Br AIFCHEM-94537414154 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.446 CCNC(C)c1cc(ccc1F)Cl AIFCHEM-94542866319 [0,2,0,0,0,0|2,0,0]=4 146 B13R1.446 CCN[C@@H](C)c1cc(ccc1F)Cl AIFCHEM-94537415372 [0,2,0,0,0,0|2,0,0]=4 147 B13R1.446 CCN[C@@H](C)c1cc(ccc1O)Cl AIFCHEM-94537413611 [0,2,0,0,0,0|2,0,0]=4 148 B13R1.446 CCN[C@@H](C)c1cc(ccc1O)F AIFCHEM-94537418954 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.446 CCN[C@H](C)c1cc(ccc1F)Br AIFCHEM-94537418086 [0,2,0,0,0,0|2,0,0]=4 150 B13R1.446 CCN[C@H](C)c1cc(ccc1O)Cl AIFCHEM-94537413615 [0,2,0,0,0,0|2,0,0]=4 151 B13R1.450 CCCN(C)c1cc(cc(c1)Cl)Cl AIFCHEM-94569010160 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.24 CC(NCCCO)c1ccncc1 AIFCHEM-94523160543 [0,2,0,0,0,0|2,0,0]=4 153 B13R1.24 CCCCCN(C)c1ccccc1 AIFCHEM-94551422681 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.24 CCCCNC(C)c1ccncc1 AIFCHEM-94523033099 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.24 CCCCN[C@@H](C)c1ccncc1 AIFCHEM-94523035942 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.24 CCCCN[C@H](C)c1ccncc1 AIFCHEM-94523027663 [0,2,0,0,0,0|2,0,0]=4 157 B13R1.24 CCNCCC(O)c1ccccc1 AIFCHEM-94537422180 [0,2,0,0,0,0|1,0,0]=3 158 B13R1.24 CSCCNC(C)c1cccnc1 AIFCHEM-94598921912 [0,2,0,0,0,0|2,0,0]=4 159 B13R1.24 CSCCNC(C)c1ccncc1 AIFCHEM-94598918875 [0,2,0,0,0,0|2,0,0]=4 160 B13R1.122 CCCNC(C)(C)c1ccccc1 AIFCHEM-94569020291 [0,2,0,0,0,0|1,0,0]=3 161 B13R1.122 CCCNC(C)(C)c1ccccn1 AIFCHEM-94569011008 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.674 CC(NCCO)c1ccccc1O AIFCHEM-94577775615 [0,2,0,0,0,0|2,0,0]=4 163 B13R1.674 CCCNC(C)c1ccccc1Br AIFCHEM-94569009466 [0,2,0,0,0,0|1,0,0]=3 164 B13R1.674 CCCNC(C)c1ccccc1F AIFCHEM-94569022140 [0,2,0,0,0,0|1,0,0]=3 165 B13R1.674 CCCNC(C)c1ccccc1O AIFCHEM-94569023871 [0,2,0,0,0,0|1,0,0]=3 166 B13R1.674 CCCNC(C)c1ncccc1Cl AIFCHEM-94521366776 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.674 CCCN[C@@H](C)c1ccccc1Br AIFCHEM-94569010019 [0,2,0,0,0,0|1,0,0]=3 168 B13R1.674 CCCN[C@@H](C)c1ccccc1F AIFCHEM-94569011627 [0,2,0,0,0,0|1,0,0]=3 169 B13R1.674 CCCN[C@@H](C)c1ccccc1O AIFCHEM-94543548893 [0,2,0,0,0,0|1,0,0]=3 170 B13R1.674 CCCN[C@H](C)c1ccccc1Br AIFCHEM-94569009469 [0,2,0,0,0,0|1,0,0]=3 171 B13R1.674 CCCN[C@H](C)c1ccccc1F AIFCHEM-94606296364 [0,2,0,0,0,0|1,0,0]=3 172 B13R1.674 CCCN[C@H](C)c1ccccc1O AIFCHEM-94569010819 [0,2,0,0,0,0|1,0,0]=3 173 B13R1.201 CC(=O)NC(C)c1ccccc1C AIFCHEM-6031738269 [0,2,0,0,0,0|2,0,0]=4 174 B13R1.201 CC(=O)NC(C)c1ccccc1O AIFCHEM-94603821401 [0,2,0,0,0,0|2,0,0]=4 175 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1C AIFCHEM-94549756172 [0,2,0,0,0,0|2,0,0]=4 176 B13R1.201 CC(=O)N[C@@H](C)c1ccccc1O AIFCHEM-94543560091 [0,2,0,0,0,0|2,0,0]=4 177 B13R1.201 CC(=O)N[C@H](C)c1ccccc1C AIFCHEM-94535588497 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O AIFCHEM-94535590096 [0,2,0,0,0,0|2,0,0]=4 179 B13R1.201 Cc1ccccc1N(C)CC(C)C AIFCHEM-94586631301 [0,2,0,0,0,0|2,0,0]=4 180 B13R1.4453 CCCN(C)c1c(cccc1C)C AIFCHEM-94569022337 [0,2,0,0,0,0|2,0,0]=4 181 B13R1.4453 CCN[C@@H](C)c1c(cccc1C)C AIFCHEM-94537413361 [0,2,0,0,0,0|2,0,0]=4 182 B13R1.4453 CCN[C@H](C)c1c(cccc1C)C AIFCHEM-94537414132 [0,2,0,0,0,0|2,0,0]=4 183 B13R2.3 C1=C(CNCC1)c2cccnc2 AIFCHEM-6412129416 [0,1,0,1,0,0|1,0,1]=4 184 B13R2.12 Oc1ccc(cc1)C2=CCNC2 AIFCHEM-94562882885 [0,1,0,1,0,0|0,0,2]=4 185 B13R2.690 CC(NC1CC1)c2ccccn2 AIFCHEM-6108289590 [0,1,0,1,0,0|2,0,0]=4 186 B13R2.690 CN(CC1CC1)c2ccccc2 AIFCHEM-94545176794 [0,1,0,1,0,0|2,0,0]=4 187 B13R2.8137 CC(c1ccccn1)N2CCC2 AIFCHEM-94604918966 [0,1,0,1,0,0|2,0,0]=4 188 B13R1.42 CC(CCO)NCc1ccccc1 AIFCHEM-94539149454 [0,0,0,0,0,2|2,0,0]=4 189 B13R1.42 CCCC(C)NCc1cccnc1 AIFCHEM-94606117628 [0,0,0,0,0,2|2,0,0]=4 190 B13R1.42 CCC[C@@H](C)NCc1cccnc1 AIFCHEM-6010943982 [0,0,0,0,0,2|2,0,0]=4 191 B13R1.42 CCC[C@H](C)NCc1cccnc1 AIFCHEM-5628664617 [0,0,0,0,0,2|2,0,0]=4 192 B13R1.42 COCC(C)NCc1ccccc1 AIFCHEM-5867416017 [0,0,0,0,0,2|1,0,0]=3