0 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 CCNc1ccnnc1 AIFCHEM-94537418084 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,1,0,0,0,0|1,0,2]=4 9 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.23 CCN(C)c1ccnc(c1)Br AIFCHEM-94537425886 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 CCN(C)c1cncc(c1)C AIFCHEM-94537416284 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.222 CCN(C)c1cnccc1C AIFCHEM-94537425388 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,0,1|1,0,2]=4 20 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,0,0,0,1|2,0,0]=3 21 B11R1.40 CCN(C)Cc1cccnc1 AIFCHEM-94537417880 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|0,0,2]=4 23 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.1 CCNc1ccc(nc1)Br AIFCHEM-94537414731 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.1 CCNc1ccc(nc1)F AIFCHEM-94537417232 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|0,0,2]=4 28 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.4 CCNc1cccnc1Br AIFCHEM-94537421189 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.4 CCNc1cccnc1I AIFCHEM-94537418171 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.4 CCNc1ccncc1Br AIFCHEM-94537414732 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 CCNc1ccncc1C AIFCHEM-94537417774 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.4 CCNc1ccncc1Cl AIFCHEM-94537417739 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 CCNc1ccncc1F AIFCHEM-94537418714 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CCNc1ccncc1I AIFCHEM-94537426496 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 CCNc1ncccc1Br AIFCHEM-94537414733 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.4 CCNc1ncccc1C AIFCHEM-94537416246 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 CCNc1ncccc1Cl AIFCHEM-94537421147 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 CCNc1cccc(n1)Br AIFCHEM-94537417741 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 CCNc1cccc(n1)Cl AIFCHEM-94537421828 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CCNc1cncc(c1)Br AIFCHEM-94537414734 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 CCNc1cncc(c1)C AIFCHEM-94524188643 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.10 CCNc1cncc(c1)Cl AIFCHEM-94537418676 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.10 CCNc1cncc(c1)O AIFCHEM-94532888502 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.17 CCCNc1ncccn1 AIFCHEM-94569009150 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.17 CCNCc1ccccn1 AIFCHEM-94537420895 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.17 CCNCc1cnccn1 AIFCHEM-94537417821 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.32 COCC(C)Nc1ccncc1 AIFCHEM-94533893127 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,1,0,0,0,1|0,0,2]=4 54 B12R1.49 CC(CO)Nc1ccc(cc1)F AIFCHEM-94552015989 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,1,0,0,0,1|0,0,2]=4 56 B12R1.49 CCN(C)Cc1ccc(cc1)F AIFCHEM-94537421330 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.49 CCN(C)Cc1ccc(cc1)I AIFCHEM-94563256363 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.50 CC(CO)Nc1cccc(c1)Cl AIFCHEM-94523487703 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,1,0,0,0,1|0,0,2]=4 60 B12R1.50 CCN(C)Cc1cccc(c1)F AIFCHEM-94563258775 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.50 CCN(C)Cc1cccc(c1)O AIFCHEM-94563254727 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.118 CCC(CC)Nc1cccnc1 AIFCHEM-94531007838 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,1,0,0,0,1|0,0,0]=2 64 B12R1.118 CCC(CO)Nc1cccnc1 AIFCHEM-94531005469 [0,1,0,0,0,1|1,0,0]=3 65 B12R1.118 OCC(CO)Nc1cccnc1 AIFCHEM-94531007839 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.371 CC(CO)Nc1ccccc1O AIFCHEM-94521333642 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.371 CCN(C)Cc1ccccc1O AIFCHEM-94563261019 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.3 CCNC(CC)c1ccccn1 AIFCHEM-94537413631 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.3 CCNC(CC)c1ccncc1 AIFCHEM-94537423405 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.13 CCN(CC)c1cccc(c1)C AIFCHEM-94537411443 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.16 CCCN(C)c1ccc(cc1)C AIFCHEM-94569020742 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.16 CCCN(C)c1ccc(cc1)I AIFCHEM-94569022906 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|0,0,2]=4 88 B12R1.308 CCCN(C)c1ccccc1Br AIFCHEM-94569021465 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.5 CCN(C)c1ccc(cc1)OC AIFCHEM-94537411832 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.1703 CCN(C)c1ccc(cc1Br)Br AIFCHEM-94537424930 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.354 CCN(C)c1cc(ccc1Cl)Br AIFCHEM-94537414216 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.358 CCN(C)c1cc(cc(c1)F)F AIFCHEM-94537421896 [0,2,0,0,0,0|2,0,0]=4 96 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,0,0,1,0,1|1,0,1]=4 97 B12R2.2058 c1cncc(c1)NC2CCC2 AIFCHEM-94531001888 [0,0,0,1,0,1|2,0,0]=4 98 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|0,0,2]=4 100 B8R1.8 CCNc1ccsc1 AIFCHEM-94568866699 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.27 CCC(C)CNc1ccccn1 AIFCHEM-5933383275 [0,0,0,0,0,2|2,0,0]=4