0 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)O)O Z1416254508 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.149 CC(C)NCC(O)C1=CC(=CC=C1)O Z1198155517 [1,0,0,0,0,0|0,0,0]=1 2 B14R1.678 CC(C)CCC(N)C1=CC=C(C=C1)Cl Z351731598 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.687 CC(=O)NCCC1=CC(=C(C=C1)O)O Z68159731 [1,0,0,0,0,0|1,0,1]=3 4 B16R1.4709 CC(C)NCC(O)C1=CC(=C(C=C1)N)C#N Z1509141766 [0,1,0,0,0,0|2,0,0]=3 5 B14R1.685 CC(C)NC(=O)C1=CC(=C(C=C1)O)Cl Z68108650 [0,0,0,0,1,0|1,0,2]=4 6 B14R1.685 CC(C)NC(=O)C1=CC(=C(C=C1)O)O Z1625091152 [0,0,0,0,1,0|0,0,2]=3 7 B14R1.685 CC(C)OC(=O)C1=CC(=C(C=C1)O)O Z292797840 [0,0,0,0,1,0|1,0,2]=4 8 B14R1.685 CN(C)CC(=O)C1=CC(=C(C=C1)O)O Z1492781231 [0,0,0,0,1,0|1,0,2]=4 9 B13R1.18 CCNCC(C)C1=CC(=CC=C1)Br Z3196419994 [2,0,0,0,0,0|2,0,0]=4 10 B13R1.18 CCNCC(O)C1=CC(=CC=C1)O Z56836691 [2,0,0,0,0,0|0,0,0]=2 11 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [2,0,0,0,0,0|1,0,1]=4 12 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 Z56755627 [2,0,0,0,0,0|2,0,0]=4 13 B13R1.149 CC(C)CNCC1=CC(=CC=C1)O Z86135906 [2,0,0,0,0,0|2,0,0]=4 14 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [2,0,0,0,0,0|1,0,0]=3 15 B13R1.513 CC(C)NCCC1=CC=C(C=C1)F Z3950920670 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [2,0,0,0,0,0|1,0,0]=3 17 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [2,0,0,0,0,0|0,0,0]=2 18 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [2,0,0,0,0,0|0,0,0]=2 19 B15R1.5450 CC(C)NCC(O)C1=CC(=CC(=C1)O)O Z955123630 [1,1,0,0,0,0|0,0,0]=2 20 B15R1.8420 CC1=CC(=C(C=C1)C)C(O)CNC(C)C Z1020681722 [1,1,0,0,0,0|1,0,0]=3 21 B15R1.132 CC(CN[C@H](C)CO)C1=CC=C(C=C1)F Z1601948790 [1,1,0,0,0,0|2,0,0]=4 22 B15R1.880 CC(C)NC(C)C(O)C1=CC=C(C=C1)Br Z1597859610 [1,1,0,0,0,0|1,0,0]=3 23 B17R1.1145 CC(C)(O)CNCC(O)C1=CC(=C(C=C1)F)Br Z3044411077 [0,1,0,0,0,1|2,0,0]=4 24 B17R1.5286 CC(C)(C)NCC(O)C1=CC(=C(C=C1)O)CO Z2301287926 [0,2,0,0,0,0|0,0,0]=2 25 B17R1.5286 CC(C)(C)NC[C@H](O)C1=CC(=C(C=C1)O)CO Z3071621361 [0,2,0,0,0,0|0,0,0]=2 26 B15R2.28 CC1COC(CN1)C2=CC(=CC=C2)Cl Z405745032 [1,0,0,1,0,0|1,0,0]=3 27 B15R2.6983 OC(CNC1CC1)C2=CC=C(C=C2)F Z240973520 [1,0,0,1,0,0|1,0,0]=3 28 B15R2.94 CC1=C(C=CC(=C1)C2CNCCO2)F Z1251360150 [1,0,0,1,0,0|2,0,0]=4 29 B15R2.94 ClC1=C(C=C(C=C1)C2CNCCO2)Cl Z397586832 [1,0,0,1,0,0|2,0,0]=4 30 B15R2.94 FC1=C(C=C(C=C1)C2CNCCO2)Br Z1037543362 [1,0,0,1,0,0|2,0,0]=4 31 B15R2.94 FC1=C(C=C(C=C1)C2CNCCO2)Cl Z397586646 [1,0,0,1,0,0|2,0,0]=4 32 B15R2.94 FC1=C(C=C(C=C1)C2CNCCO2)F Z397586722 [1,0,0,1,0,0|2,0,0]=4 33 B15R2.94 OC1=C(C=CC(=C1)C2CCCNC2)F Z3396972867 [1,0,0,1,0,0|2,0,0]=4 34 B15R2.64537 CC1CNCCC2=C1C=C(C(=C2)Br)O Z3481848439 [1,0,0,1,0,0|2,0,0]=4 35 B13R1.132 CC(C)CC(N)C1=CC=C(C=C1)Cl Z291232734 [1,0,0,0,1,0|2,0,0]=4 36 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [1,0,0,0,1,0|2,0,0]=4 37 B13R1.511 CC(C)NCC1=CC(=C(C=C1)Cl)Cl Z86129869 [1,0,0,0,1,0|2,0,0]=4 38 B13R1.511 CN(C)CCC1=CC(=C(C=C1)O)O Z1501469796 [1,0,0,0,1,0|1,0,0]=3 39 B15R1.882 CC(C)CNCC(O)C1=CC=C(C=C1)F Z240973538 [1,0,0,0,0,1|1,0,0]=3 40 B17R1.1062 CC1=C(C=C(C=C1)OCC(O)CNC(C)C)C Z56779436 [0,0,0,0,0,2|2,0,0]=4