0 B18R2.6467 O=C(CCc1cccc(c1)O)N2CCSCC2 AIFCHEM-94541235891 [0,0,0,0,0,0|3,1,0]=4 1 B17R2.2342 O=C(CCc1ccccn1)N2CCSCC2 AIFCHEM-6081488351 [1,0,0,0,0,0|2,1,0]=4 2 B17R2.2342 O=C(CSc1ncccn1)N2CCCOC2 AIFCHEM-94568039347 [1,0,0,0,0,0|2,0,0]=3 3 B17R2.5293 O=C(Nc1cccc(n1)O)C2CCOCC2 AIFCHEM-94555800726 [0,0,0,0,1,0|3,0,0]=4 4 B19R2.4369 Cc1ccnc(c1)CNCC(=O)N2CCOCC2 AIFCHEM-6053200124 [0,0,0,0,0,1|3,0,0]=4 5 B19R2.4369 O=C(CNCc1cc(ccn1)Cl)N2CCOCC2 AIFCHEM-94603181793 [0,0,0,0,0,1|3,0,0]=4 6 B19R2.955196 O=C(CCc1cccc(c1)O)N2CCCOCC2 AIFCHEM-94553875224 [0,0,0,0,0,1|3,0,0]=4 7 B16R1.194 CCCN(CC)C(=O)CSc1ncccn1 AIFCHEM-95397440789 [1,0,1,0,0,0|1,0,0]=3 8 B16R1.194 CCN(CCF)C(=O)CSc1ncccn1 AIFCHEM-95397542785 [1,0,1,0,0,0|1,0,0]=3 9 B16R1.688 CCOCCNC(=O)CSc1ncccn1 AIFCHEM-94568036449 [1,0,1,0,0,0|0,0,0]=2 10 B18R1.12803 CCCN(CC)C(=O)CSc1nc(=O)cc([nH]1)O AIFCHEM-100331910308 [0,1,1,0,0,0|1,0,1]=4 11 B18R1.23351 CCSCCNC(=O)CSc1nc(=O)cc([nH]1)O AIFCHEM-94566126343 [0,1,1,0,0,0|0,1,1]=4 12 B18R2.253 O=C(CSc1ncccn1)N2CCC(CC2)F AIFCHEM-94568045390 [1,1,0,0,0,0|1,0,0]=3 13 B18R2.4001 C[C@@H]1CCCCN1C(=O)CSc2ncccn2 AIFCHEM-94568040251 [1,1,0,0,0,0|1,0,0]=3 14 B18R2.4001 C[C@H]1CCCCN1C(=O)CSc2ncccn2 AIFCHEM-94568041312 [1,1,0,0,0,0|1,0,0]=3 15 B18R2.6463 CC1CCCN(C1)C(=O)CSc2ncccn2 AIFCHEM-94568045891 [1,1,0,0,0,0|1,0,0]=3 16 B18R2.6463 CC1CN(CCO1)C(=O)COc2ccccn2 AIFCHEM-5765275321 [1,1,0,0,0,0|1,1,0]=4 17 B18R2.6463 CC1CN(CCS1)C(=O)CSc2ncccn2 AIFCHEM-94568042875 [1,1,0,0,0,0|0,1,0]=3 18 B18R2.6463 C[C@@H]1CCCN(C1)C(=O)CSc2ncccn2 AIFCHEM-94568041872 [1,1,0,0,0,0|1,0,0]=3 19 B18R2.6463 C[C@@H]1CN(CCO1)C(=O)COc2ccccn2 AIFCHEM-5648227260 [1,1,0,0,0,0|1,1,0]=4 20 B18R2.6463 C[C@H]1CCCN(C1)C(=O)CSc2ncccn2 AIFCHEM-94598409367 [1,1,0,0,0,0|1,0,0]=3 21 B18R2.6463 C[C@H]1CN(CCO1)C(=O)COc2ccccn2 AIFCHEM-5659010140 [1,1,0,0,0,0|1,1,0]=4 22 B18R2.6463 O=C(CSc1ncccn1)N2CCCC(C2)F AIFCHEM-94568046881 [1,1,0,0,0,0|1,0,0]=3 23 B18R2.65851 CC1COCCN1C(=O)Cc2cccc(n2)Br AIFCHEM-94530734733 [0,1,0,0,1,0|2,0,0]=4 24 B18R2.65851 C[C@@H]1CCCCN1C(=O)Cc2cccc(n2)O AIFCHEM-5773758758 [0,1,0,0,1,0|2,0,0]=4 25 B18R2.65851 C[C@@H]1COCCN1C(=O)Cc2cccc(n2)Br AIFCHEM-94569768381 [0,1,0,0,1,0|2,0,0]=4 26 B18R2.65851 C[C@H]1CCCCN1C(=O)Cc2cccc(n2)O AIFCHEM-5892327848 [0,1,0,0,1,0|2,0,0]=4 27 B18R2.65851 C[C@H]1COCCN1C(=O)Cc2cccc(n2)Br AIFCHEM-94571068280 [0,1,0,0,1,0|2,0,0]=4 28 B20R2.4653 Cc1ccnc(n1)C(=O)NCC(=O)N2CCOCC2 AIFCHEM-6054139268 [0,1,0,0,0,1|2,0,0]=4 29 B20R2.2658180 O=C(CSc1nc(=O)cc([nH]1)O)N2CCCOCC2 AIFCHEM-94553873549 [0,1,0,0,0,1|0,0,1]=3 30 B20R2.302433 COc1cccc(c1)SCC(=O)N2CCOCC2C AIFCHEM-94530740018 [0,2,0,0,0,0|2,0,0]=4 31 B20R2.302433 COc1cccc(c1)SCC(=O)N2CCOC[C@@H]2C AIFCHEM-94571073565 [0,2,0,0,0,0|2,0,0]=4 32 B20R2.302433 COc1cccc(c1)SCC(=O)N2CCOC[C@H]2C AIFCHEM-94569773666 [0,2,0,0,0,0|2,0,0]=4 33 B20R2.1295093 O=C(CSc1nc(=O)cc([nH]1)O)N2CCC(CC2)F AIFCHEM-94548869626 [0,2,0,0,0,0|1,0,1]=4 34 B20R2.8188184 C[C@H]1CCCCN1C(=O)CSc2nc(=O)cc([nH]2)O AIFCHEM-94588093890 [0,2,0,0,0,0|1,0,1]=4 35 B16R1.1577 CCCN(CC)C(=O)Cc1cccc(n1)O AIFCHEM-94817164302 [0,0,1,0,1,0|2,0,0]=4 36 B16R1.1577 CCN(CCF)C(=O)Cc1cccc(n1)O AIFCHEM-94817260578 [0,0,1,0,1,0|2,0,0]=4 37 B16R1.55 CCOCCNC(=O)Cc1cccc(n1)F AIFCHEM-94548609075 [0,0,1,0,1,0|2,0,0]=4 38 B16R1.659 COCCN(C)C(=O)Cc1cccc(n1)Br AIFCHEM-5999265101 [0,0,1,0,1,0|2,0,0]=4 39 B16R1.659 COCCN(C)C(=O)Cc1cccc(n1)F AIFCHEM-5999286189 [0,0,1,0,1,0|2,0,0]=4 40 B16R1.659 COCCN(C)C(=O)Cc1cccc(n1)O AIFCHEM-6019310142 [0,0,1,0,1,0|1,0,0]=3 41 B16R2.2238 O=C(CSc1ncccn1)N2CC=CC2 AIFCHEM-94568046021 [1,0,0,0,1,0|0,0,2]=4 42 B18R2.7189 O=C(CNCc1ncccn1)N2CCCCC2 AIFCHEM-6107030329 [1,0,0,0,0,1|2,0,0]=4 43 B18R2.128576 O=C(CSc1ncccn1)N2CCCOCC2 AIFCHEM-94568040467 [1,0,0,0,0,1|0,0,0]=2 44 B18R2.524276 O=C(Cc1cccc(c1)O)N2CCCOCC2 AIFCHEM-5875314742 [0,0,0,0,1,1|2,0,0]=4