0 B12R1.107 CC(C)CN(C)c1cccnc1 AIFCHEM-94572976595 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.891 CC(C)(C)C=Cc1ccccc1 AIFCHEM-94590917879 [1,0,0,0,0,0|1,0,2]=4 2 B14R1.290 CC(NC(C)(C)CO)c1ccccc1 AIFCHEM-94560522017 [0,1,0,0,0,0|2,0,0]=3 3 B14R1.4451 CC(NC(C)(C)C)c1ncccc1Cl AIFCHEM-94527115629 [0,1,0,0,0,0|3,0,0]=4 4 B14R1.433 CC(CC(C)(C)C)Nc1ccccc1 AIFCHEM-94552036495 [0,0,0,0,0,1|1,0,0]=2 5 B14R1.433 CC(CC(C)(C)O)Nc1ccncc1 AIFCHEM-94545816872 [0,0,0,0,0,1|3,0,0]=4 6 B14R1.433 CN(Cc1cccnc1)CC(C)(C)C AIFCHEM-6248376900 [0,0,0,0,0,1|3,0,0]=4 7 B14R1.3098 CC(NCC(C)(C)O)c1ccccn1 AIFCHEM-6439137438 [0,0,0,0,0,1|3,0,0]=4 8 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl AIFCHEM-94572986588 [1,1,0,0,0,0|2,0,0]=4 9 B13R1.132 CC(C)CN(C)c1ccc(cc1)F AIFCHEM-94572981185 [1,1,0,0,0,0|2,0,0]=4 10 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C AIFCHEM-94572982996 [1,1,0,0,0,0|2,0,0]=4 11 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl AIFCHEM-94572983928 [1,1,0,0,0,0|2,0,0]=4 12 B13R1.147 CC(C)CN(C)c1cccc(c1)F AIFCHEM-94572977069 [1,1,0,0,0,0|2,0,0]=4 13 B13R1.201 Cc1ccccc1N(C)CC(C)C AIFCHEM-94586631301 [1,1,0,0,0,0|2,0,0]=4 14 B13R1.713 CCN(CC(C)C)c1ccccc1 AIFCHEM-94562512824 [1,1,0,0,0,0|2,0,0]=4 15 B13R1.157 CC(C)(C)NCc1ccccc1O AIFCHEM-94589408718 [1,1,0,0,0,0|2,0,0]=4 16 B13R1.512 Cc1ccc(cc1)CNC(C)(C)C AIFCHEM-94527114692 [1,1,0,0,0,0|2,0,0]=4 17 B13R1.838 CC(C)(C)NCc1cccc(c1)Cl AIFCHEM-94589407195 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.838 Cc1cccc(c1)CNC(C)(C)C AIFCHEM-94589407394 [1,1,0,0,0,0|2,0,0]=4 19 B15R1.913 CC(CC(C)(C)C)Nc1ccc(cc1)Br AIFCHEM-94608714625 [0,1,0,0,0,1|1,0,0]=3 20 B15R1.913 CC(CC(C)(C)O)Nc1ccc(cc1)Br AIFCHEM-94608710691 [0,1,0,0,0,1|2,0,0]=4 21 B15R1.913 CN(Cc1ccc(cc1)Br)CC(C)(C)C AIFCHEM-6098674380 [0,1,0,0,0,1|2,0,0]=4 22 B15R1.913 Cc1ccc(cc1)NC(C)CC(C)(C)C AIFCHEM-94547756521 [0,1,0,0,0,1|1,0,0]=3 23 B15R1.913 Cc1ccc(cc1)NC(C)CC(C)(C)O AIFCHEM-94545800790 [0,1,0,0,0,1|2,0,0]=4 24 B15R1.5802 CN(Cc1ccccc1F)CC(C)(C)C AIFCHEM-6098752572 [0,1,0,0,0,1|2,0,0]=4 25 B15R1.5802 CN(Cc1ccccc1O)CC(C)(C)C AIFCHEM-94532464256 [0,1,0,0,0,1|2,0,0]=4 26 B15R1.8303 CN(Cc1cccc(c1)O)CC(C)(C)C AIFCHEM-6171945767 [0,1,0,0,0,1|2,0,0]=4 27 B15R1.892 CC(NCC(C)(C)C)c1ccc(cn1)Br AIFCHEM-5965483835 [0,1,0,0,0,1|2,0,0]=4 28 B15R1.892 CC(NCC(C)(C)C)c1ccc(nc1)Br AIFCHEM-94570497507 [0,1,0,0,0,1|2,0,0]=4 29 B15R1.892 CC(NCC(C)(C)O)c1ccc(cc1)Cl AIFCHEM-94524372435 [0,1,0,0,0,1|2,0,0]=4 30 B15R1.892 CN(CCC(C)(C)C)c1ccc(cc1)I AIFCHEM-94568452476 [0,1,0,0,0,1|2,0,0]=4 31 B15R1.8018 CC(NCC(C)(C)C)c1ccncc1O AIFCHEM-5965500396 [0,1,0,0,0,1|2,0,0]=4 32 B15R1.8018 CC(NCC(C)(C)O)c1ccccc1O AIFCHEM-6440351224 [0,1,0,0,0,1|2,0,0]=4 33 B15R1.8277 CC(NCC(C)(C)F)c1cccc(c1)Cl AIFCHEM-94570950391 [0,1,0,0,0,1|2,0,0]=4 34 B15R1.8277 CN(CCC(C)(C)C)c1cccc(c1)Br AIFCHEM-94597167794 [0,1,0,0,0,1|2,0,0]=4 35 B15R1.8277 Cc1cccc(c1)C(C)NCC(C)(C)F AIFCHEM-5770762417 [0,1,0,0,0,1|2,0,0]=4 36 B15R1.8277 Cc1cncc(c1)C(C)NCC(C)(C)C AIFCHEM-5977667580 [0,1,0,0,0,1|2,0,0]=4 37 B15R1.299 CN(CC(C)(C)CO)c1ccc(cc1)I AIFCHEM-94568454132 [0,2,0,0,0,0|2,0,0]=4 38 B15R1.300 Cc1cccc(c1)C(C)NC(C)(C)CO AIFCHEM-94576815206 [0,2,0,0,0,0|2,0,0]=4 39 B15R1.7724 Cc1ccccc1N(C)CC(C)(C)CO AIFCHEM-94586630424 [0,2,0,0,0,0|2,0,0]=4 40 B13R2.690 CN(CC1CC1)c2ccccc2 AIFCHEM-94545176794 [1,0,0,1,0,0|2,0,0]=4 41 B15R2.4429 CC(C)(C)NC1Cc2ccccc2C1 AIFCHEM-94527119431 [0,0,0,1,0,1|2,0,0]=4 42 B15R2.1521 CC(NC1(CC1)C)c2ccc(cc2)Br AIFCHEM-6175559166 [0,1,0,1,0,0|2,0,0]=4 43 B15R1.9094 CC(CNCC(C)(C)O)c1ccccc1 AIFCHEM-6422321256 [0,0,0,0,0,2|2,0,0]=4 44 B15R1.9094 CC(NCCC(C)(C)C)c1ccccc1 AIFCHEM-94560528275 [0,0,0,0,0,2|1,0,0]=3 45 B15R1.9094 CC(NCCC(C)(C)C)c1ccccn1 AIFCHEM-94521934051 [0,0,0,0,0,2|2,0,0]=4 46 B15R1.9094 CC(NCCC(C)(C)C)c1cccnc1 AIFCHEM-94523873817 [0,0,0,0,0,2|2,0,0]=4 47 B15R1.9094 CC(NCCC(C)(C)C)c1ccncc1 AIFCHEM-5644361018 [0,0,0,0,0,2|2,0,0]=4 48 B15R1.9094 C[C@@H](NCCC(C)(C)C)c1ccccn1 AIFCHEM-94582268882 [0,0,0,0,0,2|2,0,0]=4 49 B15R1.9094 C[C@@H](NCCC(C)(C)C)c1cccnc1 AIFCHEM-94529447387 [0,0,0,0,0,2|2,0,0]=4 50 B15R1.9094 C[C@@H](NCCC(C)(C)C)c1ccncc1 AIFCHEM-5672999630 [0,0,0,0,0,2|2,0,0]=4 51 B15R1.9094 C[C@H](NCCC(C)(C)C)c1ccccn1 AIFCHEM-5607583877 [0,0,0,0,0,2|2,0,0]=4 52 B15R1.9094 C[C@H](NCCC(C)(C)C)c1cccnc1 AIFCHEM-94593283802 [0,0,0,0,0,2|2,0,0]=4 53 B15R1.9094 C[C@H](NCCC(C)(C)C)c1ccncc1 AIFCHEM-94567319579 [0,0,0,0,0,2|2,0,0]=4