0 B21R2.4993563 CCCN1CCCCC1C(=O)Nc2c(C)cccc2C Amb13885768 [0,0,0,0,0,0|0,0,0]=0 1 B21R2.4993563 CCCN1CCCCC1C(=O)Nc2c(C)cccc2C Amb20246970 [0,0,0,0,0,0|0,0,0]=0 2 B21R2.4993563 CCCN1CCCCC1C(=O)Nc2c(C)cccc2C Amb22732966 [0,0,0,0,0,0|0,0,0]=0 3 B21R2.4993563 CCCN1CCCC[C@@H]1C(=O)Nc2c(C)cccc2C Amb19133847 [0,0,0,0,0,0|0,0,0]=0 4 B21R2.4993563 CCCN1CCCC[C@@H]1C(=O)Nc2c(C)cccc2C Amb22748715 [0,0,0,0,0,0|0,0,0]=0 5 B21R2.4993563 Cc1cccc(Cl)c1NC(=O)N2CCCCC2COC Amb22428622 [0,0,0,0,0,0|4,0,0]=4 6 B20R2.2396022 CCN1CCCCC1C(=O)Nc2c(C)cccc2C Amb24105848 [1,0,0,0,0,0|0,0,0]=1 7 B22R2.6830851 CCCN1CCCC[C@@H]1C(=O)Nc2c(C)ccc(O)c2C Amb19132722 [0,1,0,0,0,0|0,0,0]=1 8 B22R2.6839661 CCCN1CCCC[C@@H]1C(=O)Nc2c(C)cc(O)cc2C Amb19132723 [0,1,0,0,0,0|0,0,0]=1 9 B22R2.8734432 CCCCN1CCCC[C@@H]1C(=O)Nc2c(C)cccc2C Amb17610115 [0,1,0,0,0,0|0,0,0]=1 10 B22R2.8734432 CCCCN1CCCC[C@@H]1C(=O)Nc2c(C)cccc2C Amb19130985 [0,1,0,0,0,0|0,0,0]=1 11 B22R2.8734432 CCCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C Amb17610116 [0,1,0,0,0,0|0,0,0]=1 12 B22R2.8734432 Cc1cccc(C)c1NC(=O)[C@@H]2CCCCN2CCC[13CH3] Amb22354030 [0,1,0,0,0,0|0,0,0]=1 13 B20R1.1112211 CCCCCCCNCC(=O)Nc1c(C)cccc1C Amb19969118 [0,0,1,0,0,0|2,0,0]=3 14 B20R1.1112211 CCCCOCCCNC(=O)Nc1c(C)cccc1C Amb21412836 [0,0,1,0,0,0|3,0,0]=4 15 B20R1.3663031 CCC(C(=O)Nc1c(C)cccc1C)N(CCC)CC Amb20246702 [0,0,1,0,0,0|0,0,0]=1 16 B20R2.898035 CCCN1CCCC1C(=O)Nc2c(C)cccc2C Amb24182924 [0,0,0,0,1,0|0,0,0]=1 17 B19R1.30526 CCCCCCCCCC(=O)Nc1ccccc1O Amb22344030 [1,0,1,0,0,0|2,0,0]=4 18 B19R1.1759339 CCCCN(CC(=O)Nc1c(Cl)cccc1Cl)CC Amb15743393 [1,0,1,0,0,0|2,0,0]=4 19 B19R1.2038402 CCCN(CC(=O)Nc1c(C)cccc1C)CCC Amb20081387 [1,0,1,0,0,0|0,0,0]=2 20 B19R1.288022 Cc1ccccc1NC(=O)N(CCCC)CCCC Amb22346291 [1,0,1,0,0,0|2,0,0]=4 21 B19R2.29259 Cc1ccccc1NC(=O)C2CCCCC2CN Amb24013010 [2,0,0,0,0,0|2,0,0]=4 22 B21R1.1172687 Cc1cccc(CC)c1NC(=O)CNCCCCCCC Amb19969124 [0,1,1,0,0,0|2,0,0]=4 23 B21R1.1514691 CCCCNCCCCCC(=O)Nc1c(C)cccc1C Amb17610149 [0,1,1,0,0,0|0,0,0]=2 24 B21R1.6636425 CCCCCCCCCC(=O)Nc1c(C)cc(cc1C)C Amb1948542 [0,1,1,0,0,0|1,0,0]=3 25 B21R1.6636425 CCCCCCCNCC(=O)Nc1c(C)cc(C)cc1C Amb19969073 [0,1,1,0,0,0|2,0,0]=4 26 B21R1.10609272 Cc1cc(C)c(NC(=O)[C@@H](C)N(CCC)CCC)c(C)[n]1 Amb22815838 [0,1,1,0,0,0|1,0,0]=3 27 B21R1.20033044 Cc1cccc(Cl)c1NC(=O)[C@H](CCCC)NCCCC Amb24073472 [0,1,1,0,0,0|1,0,0]=3 28 B21R2.275616 C#CCN1CCCCC1C(=O)Nc2ccccc2OC Amb11160325 [1,1,0,0,0,0|0,0,2]=4 29 B21R2.276526 CCCN1CCCCC1C(=O)Nc2ccc(Br)cc2F Amb21798414 [1,1,0,0,0,0|1,0,0]=3 30 B21R2.276526 Cc1cc(Br)ccc1NC(=O)C2CCCCN2CCC Amb21751534 [1,1,0,0,0,0|0,0,0]=2 31 B21R2.276526 Cc1cc(Cl)ccc1NC(=O)C2CCCCN2CCC Amb21751407 [1,1,0,0,0,0|0,0,0]=2 32 B21R2.276526 Cc1ccc(NC(=O)C2CCCCN2CCC)c(Cl)c1 Amb21724020 [1,1,0,0,0,0|1,0,0]=3 33 B21R2.276529 Cc1ccc(Cl)cc1NC(=O)C2CCCCN2CCC Amb21751369 [1,1,0,0,0,0|0,0,0]=2 34 B21R2.276529 NCCN1CCCCC1C(=O)Nc2cc(Cl)ccc2Cl Amb25501602 [1,1,0,0,0,0|2,0,0]=4 35 B21R2.276544 C#CCN1CCCCC1C(=O)Nc2cccc(c2C)C Amb10753753 [1,1,0,0,0,0|0,0,2]=4 36 B21R2.276544 Cc1c(Cl)cccc1NC(=O)C2CCCCN2CCC Amb21751359 [1,1,0,0,0,0|0,0,0]=2 37 B21R2.2727859 CCC1CCCCN1C(=O)Nc2c(C)cccc2CC Amb10736880 [1,1,0,0,0,0|2,0,0]=4 38 B23R2.83669944 CCCC[N+]1([O-])CCCCC1C(=O)Nc2c(C)cccc2C Amb22054581 [0,2,0,0,0,0|0,0,1]=3 39 B21R2.222553 Cc1cccc(C)c1NC(=O)NCCC2COCCC2 Amb24177360 [0,0,1,1,0,0|2,0,0]=4 40 B21R2.222936 CC1CN(CCC1N)CC(=O)Nc2c(C)cccc2C Amb24826892 [0,0,1,1,0,0|1,0,0]=3 41 B21R2.1786842 Cc1cccc(C)c1NC(=O)CN2CCCC(CN)C2 Amb24823239 [0,0,1,1,0,0|1,0,0]=3 42 B21R2.13835153 CC(C(=O)Nc1c(C)cccc1C)N2CCCNCC2 Amb23443474 [0,0,1,1,0,0|1,0,0]=3 43 B19R2.122351 Cc1ccccc1NC(=O)C2CCCN2CCC Amb24182919 [1,0,0,0,1,0|0,0,0]=2 44 B21R2.162044 CCCN1CCCCC1C(=O)NCc2ccccc2Cl Amb21604937 [1,0,0,0,0,1|1,0,0]=3