0 B15R1.1035 CCCCCC(CC)Nc1ccccc1 AIFCHEM-94552031968 [0,0,0,0,0,0|2,0,1]=3 1 B15R1.1035 CCCCCN(CC)Cc1ccccn1 AIFCHEM-94551433852 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.158 CSCCCN(C)Cc1ccccc1 AIFCHEM-94546175860 [1,0,0,0,0,0|2,0,1]=4 3 B16R1.1230 CCCCCC(CC)Nc1ccc(cc1)Br AIFCHEM-94563169772 [0,1,0,0,0,0|2,0,1]=4 4 B16R1.1230 CCCCCC(CC)Nc1ccc(cc1)Cl AIFCHEM-94563175820 [0,1,0,0,0,0|2,0,1]=4 5 B16R1.1230 CCCCCN(CC)Cc1ccc(cc1)Br AIFCHEM-94551437563 [0,1,0,0,0,0|2,0,1]=4 6 B16R1.1231 CCCCCC(CC)Nc1cccc(c1)Br AIFCHEM-94563181168 [0,1,0,0,0,0|2,0,1]=4 7 B16R1.1231 CCCCCC(CC)Nc1cccc(c1)Cl AIFCHEM-94552601498 [0,1,0,0,0,0|2,0,1]=4 8 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)F AIFCHEM-94551438368 [0,1,0,0,0,0|2,0,1]=4 9 B16R1.1231 CCCCCN(CC)Cc1cccc(c1)O AIFCHEM-94551438507 [0,1,0,0,0,0|2,0,1]=4 10 B16R1.1407 CCNCCCN(CC)Cc1ccccc1 AIFCHEM-94537415160 [0,1,0,0,0,0|2,0,1]=4 11 B16R1.1420 CCCCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568191840 [0,1,0,0,0,0|2,0,0]=3 12 B16R1.1420 CCCCCN(CC)C(=O)c1ccccn1 AIFCHEM-100053779829 [0,1,0,0,0,0|3,0,0]=4 13 B16R1.1420 CCCCCN(CC)C(=O)c1cccnc1 AIFCHEM-96136238382 [0,1,0,0,0,0|3,0,0]=4 14 B16R1.1420 CCCCCN(CC)C(=O)c1ccncc1 AIFCHEM-99478217778 [0,1,0,0,0,0|3,0,0]=4 15 B16R1.1420 CCN(CCCOC)C(=O)c1ccccc1 AIFCHEM-96568120488 [0,1,0,0,0,0|3,0,0]=4 16 B16R1.1420 CCN(CCCSC)C(=O)c1ccccc1 AIFCHEM-96569583902 [0,1,0,0,0,0|3,0,0]=4 17 B16R1.1420 CCOCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568375378 [0,1,0,0,0,0|3,0,0]=4 18 B16R1.1420 CCSCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568142594 [0,1,0,0,0,0|3,0,0]=4 19 B16R1.3677 CCCCCN(CC)Cc1ccccc1O AIFCHEM-94551423544 [0,1,0,0,0,0|2,0,1]=4 20 B16R2.2 CCC1CCC(CC1)Nc2ccccc2 AIFCHEM-94552036206 [0,0,0,1,0,0|2,0,1]=4 21 B16R2.2272 CCCNCc1cc2ccccc2n1C AIFCHEM-94521368662 [0,0,0,1,0,0|3,0,0]=4 22 B16R2.2441 CCCCNc1cc2ccccc2cn1 AIFCHEM-94523035573 [0,0,0,1,0,0|3,0,0]=4 23 B16R2.2441 CCCNCc1cc2ccccc2cn1 AIFCHEM-94521370168 [0,0,0,1,0,0|3,0,0]=4 24 B16R2.2441 CCCNCc1cnc2ccccc2c1 AIFCHEM-94569017222 [0,0,0,1,0,0|2,0,1]=4 25 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 AIFCHEM-94523037270 [0,0,0,0,1,0|2,0,1]=4 26 B14R1.121 CCCCN[C@H](CC)c1ccccc1 AIFCHEM-94523036340 [0,0,0,0,1,0|2,0,1]=4 27 B14R1.121 OCCCNC(CO)c1ccccc1 AIFCHEM-94523164813 [0,0,0,0,1,0|2,0,1]=4 28 B13R1.28 CCCCCC=Cc1ccncn1 AIFCHEM-6306678936 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.28 CCCCCC=Cc1cncnc1 AIFCHEM-6372023023 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.44 CCCCN(C)Cc1ccccc1 AIFCHEM-94536079434 [2,0,0,0,0,0|1,0,1]=4 31 B15R1.83 CCCCCCC(=O)Nc1ccccc1 AIFCHEM-94521989168 [1,1,0,0,0,0|1,0,1]=4 32 B15R1.83 CCCCNCC(O)Cc1ccccc1 AIFCHEM-94523038476 [1,1,0,0,0,0|0,0,2]=4 33 B15R1.83 CCCNCCN(C)Cc1ccccc1 AIFCHEM-94569012374 [1,1,0,0,0,0|1,0,1]=4 34 B15R1.93 CCCCCN(C)C(=O)c1ccccn1 AIFCHEM-6167391111 [1,1,0,0,0,0|2,0,0]=4 35 B15R1.93 CCCCCN(C)C(=O)c1cccnc1 AIFCHEM-6114203177 [1,1,0,0,0,0|2,0,0]=4 36 B15R1.93 CCCCCN(C)C(=O)c1ccncc1 AIFCHEM-6089222267 [1,1,0,0,0,0|2,0,0]=4 37 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586014354 [1,1,0,0,0,0|1,0,1]=4 38 B15R1.128 CCCCCN(C)Cc1ccc(cc1)I AIFCHEM-6088271007 [1,1,0,0,0,0|1,0,1]=4 39 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523495878 [1,1,0,0,0,0|1,0,1]=4 40 B15R1.129 CCCCCC(C)Nc1cccc(c1)I AIFCHEM-94564411402 [1,1,0,0,0,0|1,0,1]=4 41 B15R1.129 CCCCCN(C)Cc1cccc(c1)Br AIFCHEM-94559708690 [1,1,0,0,0,0|1,0,1]=4 42 B15R1.129 CCCCCN(C)Cc1cccc(c1)O AIFCHEM-94551425244 [1,1,0,0,0,0|1,0,1]=4 43 B15R1.1081 CC(C)CCCC(C)Nc1ccccc1 AIFCHEM-94552038163 [1,1,0,0,0,0|1,0,1]=4 44 B15R1.1409 CCCCCN(C)Cc1ccccc1O AIFCHEM-94551434943 [1,1,0,0,0,0|1,0,1]=4 45 B15R1.33 CCCCCNC(CO)c1ccccc1 AIFCHEM-94552822057 [0,1,0,0,1,0|0,0,1]=3 46 B15R1.33 CCCCCNC(CO)c1ccncc1 AIFCHEM-94551425033 [0,1,0,0,1,0|1,0,1]=4 47 B15R1.33 CCCCCN[C@@H](CO)c1ccccc1 AIFCHEM-94551434472 [0,1,0,0,1,0|0,0,1]=3 48 B15R1.33 CCCCCN[C@H](CO)c1ccccc1 AIFCHEM-94551429738 [0,1,0,0,1,0|0,0,1]=3 49 B15R1.33 CCCCCN[C@H](CO)c1ccncc1 AIFCHEM-94551430252 [0,1,0,0,1,0|1,0,1]=4 50 B15R1.33 CCOCCNC(CO)c1ccccc1 AIFCHEM-94548607116 [0,1,0,0,1,0|1,0,1]=4 51 B15R1.101 CCCCN[C@H](CO)c1ccc(cc1)I AIFCHEM-94523035261 [0,1,0,0,1,0|1,0,1]=4 52 B15R1.102 CCCCNC(CO)c1cccc(c1)Br AIFCHEM-94574893700 [0,1,0,0,1,0|1,0,1]=4 53 B15R1.102 CCCCNC(CO)c1cccc(c1)O AIFCHEM-94523031983 [0,1,0,0,1,0|1,0,1]=4 54 B15R1.102 CCCCN[C@@H](CO)c1cccc(c1)Br AIFCHEM-94523034533 [0,1,0,0,1,0|1,0,1]=4 55 B15R1.102 CCCCN[C@H](CO)c1cccc(c1)Br AIFCHEM-94523034501 [0,1,0,0,1,0|1,0,1]=4 56 B17R1.1480 CCCCCN(CC)C(=O)c1ccc(cc1)Br AIFCHEM-98167656894 [0,2,0,0,0,0|2,0,0]=4 57 B17R1.1480 CCCCCN(CC)C(=O)c1ccc(cc1)C AIFCHEM-98382552989 [0,2,0,0,0,0|2,0,0]=4 58 B17R1.1480 CCCCCN(CC)C(=O)c1ccc(cc1)Cl AIFCHEM-98362723308 [0,2,0,0,0,0|2,0,0]=4 59 B17R1.1480 CCCCCN(CC)C(=O)c1ccc(cc1)F AIFCHEM-97692167633 [0,2,0,0,0,0|2,0,0]=4 60 B17R1.1480 CCCCCN(CC)C(=O)c1ccc(cc1)I AIFCHEM-98056083865 [0,2,0,0,0,0|2,0,0]=4 61 B17R1.1480 CCCCCN(CC)C(=O)c1ccc(cc1)O AIFCHEM-94701399276 [0,2,0,0,0,0|2,0,0]=4 62 B17R1.1481 CCCCCN(CC)C(=O)c1cccc(c1)Br AIFCHEM-99353113813 [0,2,0,0,0,0|2,0,0]=4 63 B17R1.1481 CCCCCN(CC)C(=O)c1cccc(c1)C AIFCHEM-97946391169 [0,2,0,0,0,0|2,0,0]=4 64 B17R1.1481 CCCCCN(CC)C(=O)c1cccc(c1)Cl AIFCHEM-99818393529 [0,2,0,0,0,0|2,0,0]=4 65 B17R1.1481 CCCCCN(CC)C(=O)c1cccc(c1)F AIFCHEM-98920152699 [0,2,0,0,0,0|2,0,0]=4 66 B17R1.1481 CCCCCN(CC)C(=O)c1cccc(c1)I AIFCHEM-100189436902 [0,2,0,0,0,0|2,0,0]=4 67 B17R1.1481 CCCCCN(CC)C(=O)c1cccc(c1)O AIFCHEM-95657196396 [0,2,0,0,0,0|2,0,0]=4 68 B17R1.317 CCCCCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568301111 [0,2,0,0,0,0|2,0,0]=4 69 B17R1.317 CCOCCCN(CC)C(=O)c1ccccc1 AIFCHEM-96568041488 [0,2,0,0,0,0|2,0,0]=4 70 B17R1.335 OCCCCCN(CCO)Cc1ccccc1 AIFCHEM-6408608792 [0,2,0,0,0,0|1,0,1]=4 71 B17R1.7793 CCN(CCCC(C)C)C(=O)c1ccccc1 AIFCHEM-96568279057 [0,2,0,0,0,0|2,0,0]=4 72 B17R1.29500 CCCCCN(CC)C(=O)c1ccccc1Br AIFCHEM-98118382065 [0,2,0,0,0,0|2,0,0]=4 73 B17R1.29500 CCCCCN(CC)C(=O)c1ccccc1C AIFCHEM-100542553296 [0,2,0,0,0,0|2,0,0]=4 74 B17R1.29500 CCCCCN(CC)C(=O)c1ccccc1Cl AIFCHEM-96259181038 [0,2,0,0,0,0|2,0,0]=4 75 B17R1.29500 CCCCCN(CC)C(=O)c1ccccc1F AIFCHEM-96102462360 [0,2,0,0,0,0|2,0,0]=4 76 B17R1.29500 CCCCCN(CC)C(=O)c1ccccc1I AIFCHEM-96077313199 [0,2,0,0,0,0|2,0,0]=4 77 B17R1.1941 CCCCCN(Cc1ccccc1)C(=O)CO AIFCHEM-97888754695 [0,2,0,0,0,0|1,0,1]=4 78 B17R1.1941 CCCCCN(Cc1ccccc1)C(C)CO AIFCHEM-94551431713 [0,2,0,0,0,0|1,0,1]=4 79 B17R1.1941 CCCCCN(Cc1ccccc1)[C@@H](C)CO AIFCHEM-94551436026 [0,2,0,0,0,0|1,0,1]=4 80 B17R1.1941 CCCCCN(Cc1ccccc1)[C@H](C)CO AIFCHEM-94551436564 [0,2,0,0,0,0|1,0,1]=4 81 B17R1.1943 CCCCCN(Cc1ccccc1)CC(C)O AIFCHEM-94551431046 [0,2,0,0,0,0|1,0,1]=4 82 B15R2.64 CN(Cc1ccccc1)C2CCCC2 AIFCHEM-94541520363 [1,0,0,1,0,0|1,0,1]=4 83 B15R2.2203 CCCCNc1cc2ccccc2s1 AIFCHEM-94523038105 [1,0,0,1,0,0|1,1,0]=4 84 B15R2.2203 CCCNCc1cc2ccccc2s1 AIFCHEM-5875428669 [1,0,0,1,0,0|1,1,0]=4 85 B15R2.38 OC1CCCCC1Nc2ccccc2 AIFCHEM-94552036113 [1,0,0,1,0,0|1,0,1]=4 86 B17R2.268 CCCNCc1cc(on1)c2ccccc2 AIFCHEM-94521370473 [0,0,0,1,0,1|2,0,0]=4 87 B17R2.2708 CCCNCc1ccc2ccccc2c1O AIFCHEM-5875502580 [0,0,0,1,0,1|1,0,1]=4 88 B17R2.3299 CCCCNCc1cc2ccccc2n1C AIFCHEM-94570972357 [0,1,0,1,0,0|2,0,0]=4 89 B17R2.5879 CCCCCNC1COc2ccccc2C1 AIFCHEM-94551428829 [0,1,0,1,0,0|0,0,2]=4 90 B17R2.5879 CCCCCN[C@@H]1COc2ccccc2C1 AIFCHEM-94551429801 [0,1,0,1,0,0|0,0,2]=4 91 B17R2.5879 CCCCCN[C@H]1COc2ccccc2C1 AIFCHEM-94551429800 [0,1,0,1,0,0|0,0,2]=4 92 B17R2.5879 CCCCNCc1cc2ccccc2cn1 AIFCHEM-94570973863 [0,1,0,1,0,0|2,0,0]=4 93 B17R2.7430 CCN(CC1CCC1)C(=O)c2ccccc2 AIFCHEM-96568233665 [0,1,0,1,0,0|2,0,0]=4 94 B17R2.7478 CCN(CCC1CC1)C(=O)c2ccccc2 AIFCHEM-96568133243 [0,1,0,1,0,0|2,0,0]=4 95 B17R2.7972 CCN(C[C@@H]1C[C@H]1C)C(=O)c2ccccc2 AIFCHEM-96567963666 [0,1,0,1,0,0|2,0,0]=4 96 B17R2.75314 OCCN(Cc1ccccc1)CC2CCC2 AIFCHEM-6425356767 [0,1,0,1,0,0|1,0,1]=4 97 B17R2.12116 CCCNCc1cc2ccccc2cc1O AIFCHEM-5790553831 [0,1,0,1,0,0|1,0,1]=4 98 B13R1.24 CCCCCN(C)c1ccccc1 AIFCHEM-94551422681 [1,0,0,0,1,0|1,0,0]=3 99 B13R1.24 CCNCCC(O)c1ccccc1 AIFCHEM-94537422180 [1,0,0,0,1,0|1,0,1]=4 100 B13R1.26 CCCCN(CC)c1ccccc1 AIFCHEM-94537412306 [1,0,0,0,1,0|2,0,0]=4