0 B17R1.7824 CCCCNCC(C(=O)OC)c1ccccc1 AIFCHEM-94570974117 [0,0,1,0,0,0|0,0,0]=1 1 B19R2.3635 CCC(=O)N(CC1CCCCC1)c2ccccc2 AIFCHEM-95157460178 [0,0,0,0,0,1|3,0,0]=4 2 B19R2.3635 CCC(=O)N(Cc1ccccc1)C2CCCCC2 AIFCHEM-94526507466 [0,0,0,0,0,1|3,0,0]=4 3 B19R2.3635 COC(=O)C(NC1CCOCC1)c2ccccc2 AIFCHEM-94559834349 [0,0,0,0,0,1|2,0,0]=3 4 B19R2.3635 COC(=O)[C@@H](NC1CCOCC1)c2ccccc2 AIFCHEM-5824841961 [0,0,0,0,0,1|2,0,0]=3 5 B19R2.3635 COC(=O)[C@H](NC1CCOCC1)c2ccccc2 AIFCHEM-5875293747 [0,0,0,0,0,1|2,0,0]=3 6 B16R1.3825 CCCCCN(C(=O)CC)c1ccccc1 AIFCHEM-94526505682 [1,0,1,0,0,0|2,0,0]=4 7 B18R1.5358 COC(=O)C(CNCCCCO)c1ccccc1 AIFCHEM-94526036618 [0,1,1,0,0,0|0,0,0]=2 8 B18R1.5358 COC(=O)C(CNCCCSC)c1ccccc1 AIFCHEM-94529055111 [0,1,1,0,0,0|0,0,0]=2 9 B18R1.8611 CCCCCNC(C(=O)OC)c1ccc(cc1)F AIFCHEM-94551433097 [0,1,1,0,0,0|2,0,0]=4 10 B18R1.8611 CCCCCN[C@H](C(=O)OC)c1ccc(cc1)F AIFCHEM-94551438596 [0,1,1,0,0,0|2,0,0]=4 11 B18R1.34846 COC(=O)C(CNCC(C)CO)c1ccccc1 AIFCHEM-94526038124 [0,1,1,0,0,0|1,0,0]=3 12 B18R1.34846 COC(=O)C(CNCC(O)CO)c1ccccc1 AIFCHEM-94526045656 [0,1,1,0,0,0|1,0,0]=3 13 B18R1.34846 COC(=O)C(CNC[C@@H](F)CO)c1ccccc1 AIFCHEM-94526042587 [0,1,1,0,0,0|1,0,0]=3 14 B18R1.34846 COC(=O)C(CNC[C@@H](O)CO)c1ccccc1 AIFCHEM-94526046250 [0,1,1,0,0,0|1,0,0]=3 15 B18R1.34846 COC(=O)C(CNC[C@H](F)CO)c1ccccc1 AIFCHEM-94577440486 [0,1,1,0,0,0|1,0,0]=3 16 B18R1.34846 COC(=O)C(CNC[C@H](O)CO)c1ccccc1 AIFCHEM-94526045611 [0,1,1,0,0,0|1,0,0]=3 17 B18R1.42738 CCCCC(=O)NC(C(=O)OC)c1ccccc1 AIFCHEM-94534106333 [0,1,1,0,0,0|2,0,0]=4 18 B18R1.42738 CCCCC(=O)N[C@@H](C(=O)OC)c1ccccc1 AIFCHEM-94534104963 [0,1,1,0,0,0|2,0,0]=4 19 B18R1.42738 CCCCC(=O)N[C@H](C(=O)OC)c1ccccc1 AIFCHEM-94534103361 [0,1,1,0,0,0|2,0,0]=4 20 B18R1.238385 COC(=O)C(CNCCC(F)F)c1ccccc1 AIFCHEM-94526033415 [0,1,1,0,0,0|1,0,0]=3 21 B20R2.3875 COC(=O)[C@@H](NC1CCOCC1)c2cccc(c2)Cl AIFCHEM-5758327543 [0,1,0,0,0,1|2,0,0]=4 22 B20R2.3880 COC(=O)C(NC1CCCOC1)c2ccc(cc2)O AIFCHEM-6114885965 [0,1,0,0,0,1|2,0,0]=4 23 B20R2.3880 COC(=O)C(NC1CCSCC1)c2ccc(cc2)Cl AIFCHEM-6044259595 [0,1,0,0,0,1|2,0,0]=4 24 B20R2.3880 COC(=O)[C@@H](NC1CCCOC1)c2ccc(cc2)O AIFCHEM-6112575102 [0,1,0,0,0,1|2,0,0]=4 25 B20R2.3880 COC(=O)[C@H](NC1CCCOC1)c2ccc(cc2)O AIFCHEM-5705325337 [0,1,0,0,0,1|2,0,0]=4 26 B20R2.10798 CN(C)C(=O)[C@@H](NC1CCCCC1)c2ccccc2 AIFCHEM-94601788051 [0,1,0,0,0,1|2,0,0]=4 27 B20R2.11885 COCC(=O)N(CC1CCCCC1)c2ccccc2 AIFCHEM-94954042120 [0,1,0,0,0,1|2,0,0]=4 28 B20R2.11885 COCC(=O)N(Cc1ccccc1)C2CCCCC2 AIFCHEM-5987202351 [0,1,0,0,0,1|2,0,0]=4 29 B20R2.46858 COC(=O)C(NC1CCSCC1)c2ccccc2Cl AIFCHEM-5843694905 [0,1,0,0,0,1|2,0,0]=4 30 B20R2.46858 COC(=O)[C@H](NC1CCCCC1)c2ccccc2O AIFCHEM-94601789751 [0,1,0,0,0,1|1,0,0]=3 31 B20R2.46858 COC(=O)[C@H](NC1CCCOC1)c2ccccc2O AIFCHEM-6125836288 [0,1,0,0,0,1|2,0,0]=4 32 B20R2.46858 COC(=O)[C@H](NC1CCSCC1)c2ccccc2Cl AIFCHEM-6003967514 [0,1,0,0,0,1|2,0,0]=4 33 B20R2.46880 COC(=O)C(CN1CCCC(C1)O)c2ccccc2 AIFCHEM-94526046033 [0,1,0,0,0,1|2,0,0]=4 34 B20R2.46880 COC(=O)C(CN1CCC[C@H](C1)O)c2ccccc2 AIFCHEM-94531245587 [0,1,0,0,0,1|2,0,0]=4 35 B20R2.46891 COC(=O)C(NC1CCCCC1O)c2ccncc2 AIFCHEM-94608525264 [0,1,0,0,0,1|2,0,0]=4 36 B20R2.14082 O=C(CCO)NC(c1ccccc1)C2CCCCC2 AIFCHEM-6218038042 [0,1,0,0,0,1|2,0,0]=4 37 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)C2CCCCC2 AIFCHEM-94545050226 [0,1,0,0,0,1|2,0,0]=4 38 B18R2.94510 COC(=O)C(CNC1COC1)c2ccccc2 AIFCHEM-94539433627 [0,0,1,1,0,0|1,0,0]=3 39 B20R3.2324864 COC(=O)C(NC1CCC2C1C2)c3ccncc3 AIFCHEM-94608524748 [0,0,0,1,0,1|2,0,0]=4 40 B20R3.5846625 COC(=O)C(NC1CC2CC2C1)c3ccccc3 AIFCHEM-94559833179 [0,0,0,1,0,1|1,0,0]=3 41 B20R3.5846625 COC(=O)C(NC1CC2CC2C1)c3ccncc3 AIFCHEM-94608522860 [0,0,0,1,0,1|2,0,0]=4 42 B20R3.5846625 COC(=O)C(NC1C[C@@H]2C[C@@H]2C1)c3ccccc3 AIFCHEM-5846897813 [0,0,0,1,0,1|1,0,0]=3 43 B20R3.5846625 COC(=O)[C@@H](NC1C[C@@H]2C[C@@H]2C1)c3ccccc3 AIFCHEM-5870013279 [0,0,0,1,0,1|1,0,0]=3 44 B20R3.5846625 COC(=O)[C@H](NC1C[C@@H]2C[C@@H]2C1)c3ccccc3 AIFCHEM-5852586796 [0,0,0,1,0,1|1,0,0]=3 45 B16R2.100 CCNC(c1ccccc1)C2CCCC2 AIFCHEM-94537419047 [1,0,0,0,1,0|2,0,0]=4 46 B18R1.40907 CCCCCNC(CC(=O)OC)c1ccccc1 AIFCHEM-94551438148 [0,0,1,0,0,1|2,0,0]=4 47 B18R1.40907 CCCCCN[C@@H](CC(=O)OC)c1ccccc1 AIFCHEM-94551432390 [0,0,1,0,0,1|2,0,0]=4 48 B18R1.40907 CCCCCN[C@H](CC(=O)OC)c1ccccc1 AIFCHEM-94551432391 [0,0,1,0,0,1|2,0,0]=4 49 B18R2.4111 CC(=O)N(CC1CCCCC1)c2ccccc2 AIFCHEM-99350327178 [1,0,0,0,0,1|2,0,0]=4 50 B18R2.4111 CC(=O)N(Cc1ccccc1)C2CCCCC2 AIFCHEM-94605346597 [1,0,0,0,0,1|2,0,0]=4 51 B18R2.4111 O=C(O)C(NC1CCCCC1)c2ccccc2 AIFCHEM-94601791954 [1,0,0,0,0,1|1,0,0]=3 52 B18R2.4111 O=C(O)C(NC1CCCCC1)c2ccccn2 AIFCHEM-94601795938 [1,0,0,0,0,1|2,0,0]=4 53 B18R2.4111 O=C(O)[C@@H](NC1CCCCC1)c2ccccc2 AIFCHEM-94601792087 [1,0,0,0,0,1|1,0,0]=3 54 B18R2.4111 O=C(O)[C@H](NC1CCCCC1)c2ccccc2 AIFCHEM-94601798624 [1,0,0,0,0,1|1,0,0]=3 55 B18R2.9591 CCC(=O)NC(c1ccccc1)C2CCCC2 AIFCHEM-94526505365 [0,0,0,0,1,1|1,0,0]=3 56 B18R2.9591 O=C(CO)NC(c1ccccc1)C2CCCC2 AIFCHEM-6030525065 [0,0,0,0,1,1|2,0,0]=4 57 B20R2.4238 COC(=O)CC(NC1CCCCC1)c2ccccc2 AIFCHEM-94601798877 [0,0,0,0,0,2|1,0,0]=3 58 B20R2.4238 COC(=O)CC(NC1CCSCC1)c2ccccc2 AIFCHEM-5835048194 [0,0,0,0,0,2|2,0,0]=4 59 B20R2.4238 COC(=O)C[C@@H](NC1CCCCC1)c2ccccc2 AIFCHEM-94601793120 [0,0,0,0,0,2|1,0,0]=3 60 B20R2.4238 COC(=O)C[C@@H](NC1CCSCC1)c2ccccc2 AIFCHEM-6168375776 [0,0,0,0,0,2|2,0,0]=4 61 B20R2.4238 COC(=O)C[C@H](NC1CCCCC1)c2ccccc2 AIFCHEM-94601787803 [0,0,0,0,0,2|1,0,0]=3 62 B20R2.4238 COC(=O)C[C@H](NC1CCSCC1)c2ccccc2 AIFCHEM-5995065437 [0,0,0,0,0,2|2,0,0]=4 63 B20R2.4241 COC(=O)C(CNC1CCOCC1)c2ccccc2 AIFCHEM-94574396382 [0,0,0,0,0,2|2,0,0]=4 64 B20R2.4241 COC(=O)C(CNC1CCSCC1)c2ccccc2 AIFCHEM-94526040968 [0,0,0,0,0,2|2,0,0]=4 65 B20R2.4241 COC(=O)C(NCc1ccncc1)C2CCCCC2 AIFCHEM-5767277641 [0,0,0,0,0,2|2,0,0]=4 66 B20R2.4241 COC(=O)[C@@H](NCc1ccncc1)C2CCCCC2 AIFCHEM-6005043304 [0,0,0,0,0,2|2,0,0]=4