0 B16R1.1705 C#CCCNC(=O)C(CC)c1ccccc1 WXVL_AK3109SB0053 [0,0,1,0,0,0|2,0,1]=4 1 B16R1.1705 C#CCCNC(=O)C(CC)c1ccccc1 WXVL_AK3109SB0053 [0,0,1,0,0,0|2,0,1]=4 2 B16R1.1705 C=CCCNC(=O)C(CC)c1ccccc1 WXVL_AK00138SB0053 [0,0,1,0,0,0|2,0,0]=3 3 B16R1.1705 C=CCCNC(=O)C(CC)c1ccccc1 WXVL_AK00138SB0053 [0,0,1,0,0,0|2,0,0]=3 4 B16R1.1705 C=CCCNC(=O)C(CO)c1ccccc1 WXVL_AK00138SB3228 [0,0,1,0,0,0|3,0,0]=4 5 B16R1.1705 C=CCCNC(=O)C(CO)c1ccccc1 WXVL_AK00138SB3228 [0,0,1,0,0,0|3,0,0]=4 6 B16R1.1705 C=CCCNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00138SB0081 [0,0,1,0,0,0|3,0,0]=4 7 B16R1.1705 C=CCCNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00138SB0081 [0,0,1,0,0,0|3,0,0]=4 8 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0053 [0,0,1,0,0,0|2,0,1]=4 9 B16R1.1705 CCC(C(=O)NCCC#N)c1ccccc1 WXVL_AK0087SB0053 [0,0,1,0,0,0|2,0,1]=4 10 B16R1.1705 CCC(C(=O)NCCCO)c1ccccc1 WXVL_AK0073SB0053 [0,0,1,0,0,0|1,0,2]=4 11 B16R1.1705 CCC(C(=O)NCCCO)c1ccccc1 WXVL_AK0073SB0053 [0,0,1,0,0,0|1,0,2]=4 12 B16R1.1705 CCC(C(=O)NCCSC)c1ccccc1 WXVL_AK00440SB0053 [0,0,1,0,0,0|3,0,0]=4 13 B16R1.1705 CCC(C(=O)NCCSC)c1ccccc1 WXVL_AK00440SB0053 [0,0,1,0,0,0|3,0,0]=4 14 B16R1.1705 CCCCNC(=O)C(CC)c1ccccc1 WXVL_AK00588SB0053 [0,0,1,0,0,0|2,0,1]=4 15 B16R1.1705 CCCCNC(=O)C(CC)c1ccccc1 WXVL_AK00588SB0053 [0,0,1,0,0,0|2,0,1]=4 16 B15R1.93 C=CCCNC(=O)C(C)c1ccccc1 WXVL_AK00138SB2326 [1,0,1,0,0,0|2,0,0]=4 17 B15R1.93 C=CCCNC(=O)C(C)c1ccccc1 WXVL_AK00138SB2326 [1,0,1,0,0,0|2,0,0]=4 18 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 WXVL_AK00561SB0053 [1,0,1,0,0,0|1,0,0]=3 19 B15R1.1215 C=CCNC(=O)C(CC)c1ccccc1 WXVL_AK00561SB0053 [1,0,1,0,0,0|1,0,0]=3 20 B15R1.1215 C=CCNC(=O)C(CO)c1ccccc1 WXVL_AK00561SB3228 [1,0,1,0,0,0|2,0,0]=4 21 B15R1.1215 C=CCNC(=O)C(CO)c1ccccc1 WXVL_AK00561SB3228 [1,0,1,0,0,0|2,0,0]=4 22 B15R1.1215 C=CCNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00561SB0081 [1,0,1,0,0,0|2,0,0]=4 23 B15R1.1215 C=CCNC(=O)[C@H](OC)c1ccccc1 WXVL_AK00561SB0081 [1,0,1,0,0,0|2,0,0]=4 24 B15R1.1215 CCC(C(=O)NCC#N)c1ccccc1 WXVL_AK0683SB0053 [1,0,1,0,0,0|1,0,1]=4 25 B15R1.1215 CCC(C(=O)NCC#N)c1ccccc1 WXVL_AK0683SB0053 [1,0,1,0,0,0|1,0,1]=4 26 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 WXVL_AK00466SB0053 [1,0,1,0,0,0|1,0,1]=4 27 B15R1.1215 CCC(C(=O)NCCF)c1ccccc1 WXVL_AK00466SB0053 [1,0,1,0,0,0|1,0,1]=4 28 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 WXVL_AK00504SB0053 [1,0,1,0,0,0|1,0,1]=4 29 B15R1.1215 CCCNC(=O)C(CC)c1ccccc1 WXVL_AK00504SB0053 [1,0,1,0,0,0|1,0,1]=4 30 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 WXVL_AK00443SB0053 [0,1,1,0,0,0|1,0,0]=3 31 B17R1.3106 CCC(C(=O)NCCC(=O)N)c1ccccc1 WXVL_AK00443SB0053 [0,1,1,0,0,0|1,0,0]=3 32 B17R1.3106 CO[C@@H](C(=O)NCCC(=O)N)c1ccccc1 WXVL_AK00443SB0081 [0,1,1,0,0,0|2,0,0]=4 33 B17R1.3106 CO[C@@H](C(=O)NCCC(=O)N)c1ccccc1 WXVL_AK00443SB0081 [0,1,1,0,0,0|2,0,0]=4 34 B17R1.3106 NC(=O)CCNC(=O)C(CO)c1ccccc1 WXVL_AK00443SB3228 [0,1,1,0,0,0|2,0,0]=4 35 B17R1.3106 NC(=O)CCNC(=O)C(CO)c1ccccc1 WXVL_AK00443SB3228 [0,1,1,0,0,0|2,0,0]=4 36 B17R1.3729 C=CCCNC(=O)C(c1ccccc1)C(C)C WXVL_AK00138SB4495 [0,1,1,0,0,0|2,0,0]=4 37 B17R1.3729 C=CCCNC(=O)C(c1ccccc1)C(C)C WXVL_AK00138SB4495 [0,1,1,0,0,0|2,0,0]=4 38 B17R2.2329 C=CCCNC(=O)C1(CC1)c2ccccc2 WXVL_AK00138SB0039 [0,0,1,1,0,0|2,0,0]=4 39 B17R2.2329 C=CCCNC(=O)C1(CC1)c2ccccc2 WXVL_AK00138SB0039 [0,0,1,1,0,0|2,0,0]=4 40 B17R2.2343 C=CCCNC(=O)C1CCc2c1cccc2 WXVL_AK00138SB3073 [0,0,1,1,0,0|2,0,0]=4 41 B17R2.2343 C=CCCNC(=O)C1CCc2c1cccc2 WXVL_AK00138SB3073 [0,0,1,1,0,0|2,0,0]=4