0 B16R3.1721476 CC12CC3(CC(C1)(CC(C2)(C3)O)N)C Molport-002-028-212 [0,0,0,0,0,0|0,0,0]=0 1 B16R3.1721476 CC12CC3(CC(C1)(CC(C2)(C3)O)N)C Molport-002-254-259 [0,0,0,0,0,0|0,0,0]=0 2 B16R3.1721476 C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)O)N)C Molport-046-861-858 [0,0,0,0,0,0|0,0,0]=0 3 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)N)C Molport-002-041-858 [1,0,0,0,0,0|0,0,0]=1 4 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)N)C Molport-003-666-358 [1,0,0,0,0,0|0,0,0]=1 5 B15R3.441491 CC12CC3CC(C1)(CC(C3)(C2)[NH3+])C Molport-004-285-373 [1,0,0,0,0,0|0,0,1]=2 6 B15R3.441491 C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C Molport-019-325-252 [1,0,0,0,0,0|0,0,0]=1 7 B15R3.441491 C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C Molport-047-949-619 [1,0,0,0,0,0|0,0,0]=1 8 B15R3.441491 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)N)C Molport-006-822-577 [1,0,0,0,0,0|0,0,0]=1 9 B15R3.441491 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)N)C Molport-023-278-009 [1,0,0,0,0,0|0,0,0]=1 10 B15R3.441491 NC12CC3CC(C1)(CC(C3)(C2)O)N Molport-046-837-923 [1,0,0,0,0,0|1,0,0]=2 11 B17R3.6232405 CC12CC3(CC(C1)(CC(C2)(C3)CO)C)C Molport-002-894-218 [0,1,0,0,0,0|1,0,0]=2 12 B17R3.6232405 CCC12CC3(CC(C1)(CC(C3)(C2)N)C)C Molport-047-971-861 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.82432 CC1CC2(CC(=O)CC(C1)(C2)C)C Molport-046-774-533 [1,0,1,0,0,0|0,0,2]=4 14 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)N Molport-003-715-020 [2,0,0,0,0,0|0,0,0]=2 15 B14R3.63177 CC12CC3CC(C1)CC(C3)(C2)N Molport-028-956-442 [2,0,0,0,0,0|0,0,0]=2 16 B14R3.63177 C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)N Molport-039-331-093 [2,0,0,0,0,0|0,0,0]=2 17 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)N Molport-003-015-444 [2,0,0,0,0,0|1,0,0]=3 18 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)N Molport-003-104-855 [2,0,0,0,0,0|1,0,0]=3 19 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)O Molport-002-039-827 [2,0,0,0,0,0|0,0,0]=2 20 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)O Molport-002-501-412 [2,0,0,0,0,0|0,0,0]=2 21 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)O Molport-009-766-485 [2,0,0,0,0,0|0,0,0]=2 22 B14R3.63177 NC12CC3CC(C1)CC(C3)(C2)[NH3+] Molport-002-552-561 [2,0,0,0,0,0|1,0,0]=3 23 B14R3.63177 NC12CC3CC(C1)C[C@@](C3)(C2)O Molport-009-766-813 [2,0,0,0,0,0|0,0,0]=2 24 B14R3.63177 N[C@@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)O Molport-053-104-325 [2,0,0,0,0,0|0,0,0]=2 25 B14R3.63177 N[C@@]12C[C@@H]3C[C@H](C1)C[C@](C3)(C2)O Molport-047-586-832 [2,0,0,0,0,0|0,0,0]=2 26 B14R3.63177 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)N Molport-037-955-512 [2,0,0,0,0,0|1,0,0]=3 27 B14R3.63177 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)N Molport-039-061-153 [2,0,0,0,0,0|1,0,0]=3 28 B14R3.63177 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)O Molport-001-791-143 [2,0,0,0,0,0|0,0,0]=2 29 B14R3.63177 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)O Molport-035-784-169 [2,0,0,0,0,0|0,0,0]=2 30 B14R3.63177 N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)O Molport-046-068-909 [2,0,0,0,0,0|0,0,0]=2 31 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)CO)N Molport-002-154-476 [1,1,0,0,0,0|0,0,0]=2 32 B16R3.1641211 CC12CC3CC(C1)(CC(C3)(C2)[N+]#[C-])C Molport-016-631-007 [1,1,0,0,0,0|0,0,1]=3 33 B16R3.1641211 CCC12CC3CC(C1)(CC(C3)(C2)N)C Molport-047-971-864 [1,1,0,0,0,0|0,0,0]=2 34 B16R3.1641211 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)[N+]#[C-])C Molport-047-590-629 [1,1,0,0,0,0|0,0,1]=3 35 B18R3.21399706 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)N)C Molport-002-709-137 [0,2,0,0,0,0|0,0,0]=2 36 B18R3.21399706 CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)N)C Molport-035-715-465 [0,2,0,0,0,0|0,0,0]=2 37 B18R3.21399706 C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)C(=O)O)N)C Molport-004-947-392 [0,2,0,0,0,0|0,0,0]=2 38 B18R3.21399706 C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)C(=O)O)N)C Molport-051-763-929 [0,2,0,0,0,0|0,0,0]=2 39 B18R3.22510534 CC12CC3(CC(C1)(CC(C2)(C3)CCO)C)C Molport-002-486-945 [0,2,0,0,0,0|1,0,0]=3