0 B18R2.32739 CC(=O)N(Cc1cscn1)c2ccccc2Br AIFCHEM-98288763016 [0,0,0,0,0,0|2,1,1]=4 1 B17R2.21294 CC(=O)N(Cc1cocn1)c2ccccc2 AIFCHEM-98288145474 [1,0,0,0,0,0|2,0,1]=4 2 B17R2.21294 CC(=O)N(Cc1cscn1)c2ccccc2 AIFCHEM-99353329112 [1,0,0,0,0,0|2,0,1]=4 3 B17R2.48520 CCN(Cc1cccs1)c2ccccc2C AIFCHEM-6049015062 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.48520 CCN(Cc1cccs1)c2ccccc2I AIFCHEM-94537411682 [1,0,0,0,0,0|2,1,0]=4 5 B17R2.48520 CCN(Cc1nccs1)c2ccccc2C AIFCHEM-6080496325 [1,0,0,0,0,0|3,0,0]=4 6 B19R2.45591 CC(=O)N(Cc1coc(n1)Br)c2ccccc2F AIFCHEM-98288206212 [0,1,0,0,0,0|2,0,1]=4 7 B19R2.45591 CC(=O)N(Cc1csc(n1)Br)c2ccccc2F AIFCHEM-99350716092 [0,1,0,0,0,0|2,0,1]=4 8 B19R2.45591 CC(=O)N(Cc1csc(n1)C)c2ccccc2F AIFCHEM-40378672404 [0,1,0,0,0,0|2,0,1]=4 9 B19R2.48327 CC(=O)N(Cc1cscn1)c2cccc(c2F)Br AIFCHEM-99351002498 [0,1,0,0,0,0|2,0,1]=4 10 B19R2.50144 CC(=O)N(Cc1ncsc1Br)c2ccccc2F AIFCHEM-92174791396 [0,1,0,0,0,0|2,0,1]=4 11 B19R2.506139 CC(=O)N(Cc1cocn1)c2ccc(cc2F)Br AIFCHEM-99350224873 [0,1,0,0,0,0|2,0,1]=4 12 B19R2.506139 CC(=O)N(Cc1cscn1)c2ccc(cc2F)Br AIFCHEM-98290603027 [0,1,0,0,0,0|2,0,1]=4 13 B19R3.10080 CC1CCc2ccccc2N1Cc3cocn3 AIFCHEM-5978011337 [0,0,0,1,0,0|2,0,0]=3 14 B19R3.10080 CC1CCc2ccccc2N1Cc3ncco3 AIFCHEM-5911410757 [0,0,0,1,0,0|3,0,0]=4 15 B19R3.10080 CC1COc2ccccc2N1Cc3ccco3 AIFCHEM-94540085749 [0,0,0,1,0,0|3,0,0]=4 16 B19R3.10080 CC1COc2ccccc2N1Cc3ccoc3 AIFCHEM-5686369798 [0,0,0,1,0,0|3,0,0]=4 17 B19R3.10080 CC1COc2ccccc2N1Cc3ccsc3 AIFCHEM-5612873953 [0,0,0,1,0,0|3,0,0]=4 18 B19R2.50030 Cc1ccccc1CN(Cc2ncco2)C(C)C AIFCHEM-5987436878 [0,0,0,0,0,1|3,0,0]=4 19 B16R2.685 CCN(Cc1cncs1)c2ccccc2 AIFCHEM-94562507139 [2,0,0,0,0,0|1,0,1]=4 20 B16R2.2965 Cc1ccccc1N(C)Cc2cscn2 AIFCHEM-94586629000 [2,0,0,0,0,0|2,0,0]=4 21 B18R2.29833 CC(=O)N(Cc1cn(cn1)C)c2ccccc2 AIFCHEM-98287752622 [1,1,0,0,0,0|1,0,1]=4 22 B18R2.29833 CC(C)N(Cc1ncc(s1)Cl)c2ccccc2 AIFCHEM-5723430215 [1,1,0,0,0,0|2,0,0]=4 23 B18R2.29833 Cc1cnc(s1)CN(c2ccccc2)C(C)C AIFCHEM-5723457455 [1,1,0,0,0,0|2,0,0]=4 24 B18R2.29833 Cc1ncc(s1)CN(c2ccccc2)C(C)C AIFCHEM-5750869407 [1,1,0,0,0,0|1,0,1]=4 25 B18R2.78425 CCN(Cc1csc(n1)Br)c2ccccc2C AIFCHEM-6004699931 [1,1,0,0,0,0|2,0,0]=4 26 B18R2.78646 CCN(Cc1cocn1)c2cc(ccc2C)O AIFCHEM-6241099723 [1,1,0,0,0,0|2,0,0]=4 27 B18R2.78646 CCN(Cc1cscn1)c2cc(ccc2C)O AIFCHEM-6278333480 [1,1,0,0,0,0|2,0,0]=4 28 B18R2.78948 CCN(Cc1ncsc1Br)c2ccccc2C AIFCHEM-6080516236 [1,1,0,0,0,0|2,0,0]=4 29 B20R2.8342 CC(C)N(C(=O)c1ccccn1)c2ccccc2F AIFCHEM-94578914007 [0,1,0,0,0,1|1,0,1]=4 30 B20R2.148389 CC(C)N(Cc1ccccc1O)c2ccccc2F AIFCHEM-94532456386 [0,1,0,0,0,1|2,0,0]=4 31 B20R2.67942 Cc1ccccc1CN(Cc2csc(n2)Cl)C(C)C AIFCHEM-6063395301 [0,1,0,0,0,1|2,0,0]=4 32 B20R2.67942 Cc1ccccc1CN(Cc2ncn(n2)C)C(C)C AIFCHEM-6063324844 [0,1,0,0,0,1|2,0,0]=4 33 B20R2.96183 CC(C)N(Cc1cocn1)C(=O)c2ccccc2Br AIFCHEM-98118364946 [0,1,0,0,0,1|1,1,0]=4 34 B20R2.96183 CC(C)N(Cc1cocn1)C(=O)c2ccccc2Cl AIFCHEM-96259176039 [0,1,0,0,0,1|1,1,0]=4 35 B20R2.96183 CC(C)N(Cc1cocn1)C(=O)c2ccccc2F AIFCHEM-96102452641 [0,1,0,0,0,1|1,0,0]=3 36 B20R2.96183 CC(C)N(Cc1cocn1)C(=O)c2ccccc2I AIFCHEM-96077298700 [0,1,0,0,0,1|1,1,0]=4 37 B20R2.96183 CC(C)N(Cc1cocn1)C(=O)c2ccncc2F AIFCHEM-95316580375 [0,1,0,0,0,1|2,0,0]=4 38 B20R2.96183 CC(C)N(Cc1cocn1)C(=O)c2ncccc2F AIFCHEM-94973169037 [0,1,0,0,0,1|2,0,0]=4 39 B20R2.96183 CC(C)N(Cc1cscn1)C(=O)c2ccccc2Br AIFCHEM-98118543807 [0,1,0,0,0,1|1,1,0]=4 40 B20R2.96183 CC(C)N(Cc1cscn1)C(=O)c2ccccc2Cl AIFCHEM-96259232600 [0,1,0,0,0,1|1,1,0]=4 41 B20R2.96183 CC(C)N(Cc1cscn1)C(=O)c2ccccc2F AIFCHEM-96102563882 [0,1,0,0,0,1|1,0,0]=3 42 B20R2.96183 CC(C)N(Cc1cscn1)C(=O)c2ccccc2I AIFCHEM-96077446621 [0,1,0,0,0,1|1,1,0]=4 43 B20R2.96183 CC(C)N(Cc1cscn1)C(=O)c2ccncc2F AIFCHEM-95316672576 [0,1,0,0,0,1|2,0,0]=4 44 B20R2.96183 CC(C)N(Cc1cscn1)C(=O)c2ncccc2F AIFCHEM-94973402218 [0,1,0,0,0,1|2,0,0]=4 45 B20R2.96183 CC(C)N(Cc1ncco1)C(=O)c2ccccc2F AIFCHEM-96102599103 [0,1,0,0,0,1|2,0,0]=4 46 B20R2.96183 CC(C)N(Cc1nccs1)C(=O)c2ccccc2F AIFCHEM-96102957354 [0,1,0,0,0,1|2,0,0]=4 47 B18R3.6371 CC1Cc2ccccc2N1Cc3cn[nH]c3 AIFCHEM-94528444772 [1,0,0,1,0,0|2,0,0]=4 48 B18R3.6371 CC1Cc2ccccc2N1Cc3ncco3 AIFCHEM-5887575721 [1,0,0,1,0,0|2,0,0]=4 49 B18R3.89767 Fc1cccc2c1N(CC2)Cc3cnco3 AIFCHEM-5651432345 [1,0,0,1,0,0|1,0,1]=4 50 B18R3.89767 Fc1cccc2c1N(CC2)Cc3nccs3 AIFCHEM-94555689903 [1,0,0,1,0,0|2,0,0]=4 51 B20R3.451 CC1COc2ccccc2N1Cc3ncccn3 AIFCHEM-5612590600 [0,0,0,1,0,1|2,0,0]=4 52 B20R3.2886212 CC1(CN(c2ccccc2O1)Cc3cscn3)C AIFCHEM-6028686447 [0,0,0,1,0,1|2,0,0]=4 53 B20R3.86872 CC1CCc2ccccc2N1Cc3coc(n3)Br AIFCHEM-94571034543 [0,1,0,1,0,0|2,0,0]=4 54 B20R3.86872 CC1CCc2ccccc2N1Cc3csc(n3)Cl AIFCHEM-5911996766 [0,1,0,1,0,0|2,0,0]=4 55 B20R3.86872 CC1COc2ccccc2N1Cc3cn(nn3)C AIFCHEM-5636803436 [0,1,0,1,0,0|2,0,0]=4 56 B20R3.86872 CC1COc2ccccc2N1Cc3coc(n3)Br AIFCHEM-94571037806 [0,1,0,1,0,0|2,0,0]=4 57 B20R3.86872 CC1COc2ccccc2N1Cc3csc(n3)Br AIFCHEM-5612718456 [0,1,0,1,0,0|2,0,0]=4 58 B20R3.86872 Cc1nc(co1)CN2c3ccccc3OCC2C AIFCHEM-5612960440 [0,1,0,1,0,0|2,0,0]=4 59 B20R3.1579 OCC1CCc2ccccc2N1Cc3cscn3 AIFCHEM-6500703823 [0,1,0,1,0,0|2,0,0]=4 60 B18R2.4111 CC(C)N(Cc1cccnc1)c2ccccc2 AIFCHEM-5704782832 [1,0,0,0,0,1|1,0,0]=3 61 B18R2.12689 CC(C)C(NCc1c[nH]cn1)c2ccccc2 AIFCHEM-94525126191 [1,0,0,0,0,1|1,0,0]=3 62 B18R2.12689 CC(C)C(NCc1cocn1)c2ccccc2 AIFCHEM-94525123645 [1,0,0,0,0,1|2,0,0]=4 63 B18R2.12689 CC(C)[C@@H](NCc1c[nH]cn1)c2ccccc2 AIFCHEM-94530698193 [1,0,0,0,0,1|1,0,0]=3 64 B18R2.12689 CC(C)[C@@H](NCc1cocn1)c2ccccc2 AIFCHEM-94530695647 [1,0,0,0,0,1|2,0,0]=4 65 B18R2.12689 CC(C)[C@H](NCc1c[nH]cn1)c2ccccc2 AIFCHEM-94528557351 [1,0,0,0,0,1|1,0,0]=3 66 B18R2.12689 CC(C)[C@H](NCc1cocn1)c2ccccc2 AIFCHEM-94528554805 [1,0,0,0,0,1|2,0,0]=4 67 B18R2.7792 CCN(Cc1ncccn1)c2ccccc2C AIFCHEM-6004134063 [1,0,0,0,0,1|2,0,0]=4 68 B18R2.78977 CCN(Cc1cc[nH]c1)Cc2ccccc2O AIFCHEM-94547437810 [1,0,0,0,0,1|2,0,0]=4 69 B18R2.78977 CCN(Cc1cocn1)Cc2ccccc2O AIFCHEM-94547433010 [1,0,0,0,0,1|2,0,0]=4 70 B18R2.78977 CCN(Cc1cscn1)Cc2ccccc2O AIFCHEM-94547435758 [1,0,0,0,0,1|2,0,0]=4 71 B20R2.96192 CC(C)N(Cc1cccnc1)Cc2ccccc2F AIFCHEM-5952522861 [0,0,0,0,0,2|1,0,0]=3 72 B20R2.96192 CC(C)N(Cc1cccnc1)Cc2ccccc2O AIFCHEM-94532461844 [0,0,0,0,0,2|2,0,0]=4 73 B20R2.96192 CC(C)N(Cc1cccnc1)Cc2cccnc2F AIFCHEM-5952503626 [0,0,0,0,0,2|2,0,0]=4 74 B20R2.96192 CC(C)N(Cc1cccnc1)Cc2ccncc2F AIFCHEM-5899066115 [0,0,0,0,0,2|2,0,0]=4 75 B20R2.96192 CC(C)N(Cc1cccnc1)Cc2ncccc2F AIFCHEM-5919025877 [0,0,0,0,0,2|2,0,0]=4 76 B20R2.96192 Cc1ccccc1CN(Cc2cnccn2)C(C)C AIFCHEM-5988040355 [0,0,0,0,0,2|1,0,1]=4