0 B12R2.2786 CC1(C2CCC1(C(=C)C2)C)C Molport-000-734-916 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.2786 CC1(C2CCC1(C(=N)C2)C)C Molport-002-516-362 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.2786 CC1(C2CCC1(C(=O)C2)C)C Molport-002-506-944 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.2786 CC1(C2CCC1(C(=O)C2)N)C Molport-044-422-594 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.2786 CC1(C2CCC1(C(=O)C2)N)C Molport-046-647-483 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.2786 CC1(C2CCC1(C(C2)N)C)C Molport-000-145-462 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.2786 CC1(C2CCC1(C(C2)N)C)C Molport-002-893-207 [0,0,0,0,0,0|1,0,1]=2 7 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C Molport-000-710-471 [0,0,0,0,0,0|0,0,2]=2 8 B12R2.2786 CC1(C2CCC1([C@@H](C2)O)C)C Molport-002-506-896 [0,0,0,0,0,0|0,0,2]=2 9 B12R2.2786 CC1(C2CCC1([C@H](C2)O)C)C Molport-046-851-694 [0,0,0,0,0,0|0,0,2]=2 10 B12R2.2786 CC1(C2CC[C@@]1(C(=O)C2)C)C Molport-003-698-691 [0,0,0,0,0,0|0,0,0]=0 11 B12R2.2786 CC1(C2CC[C@]1(C(=O)C2)C)C Molport-001-763-960 [0,0,0,0,0,0|0,0,0]=0 12 B12R2.2786 CC1(C2CC[C@]1(C(C2)O)C)C Molport-038-942-572 [0,0,0,0,0,0|0,0,2]=2 13 B12R2.2786 CC1([C@@H]2CC[C@@]1(C(=O)C2)C)C Molport-003-666-054 [0,0,0,0,0,0|0,0,0]=0 14 B12R2.2786 CC1([C@@H]2CC[C@@]1([C@@H](C2)O)C)C Molport-051-929-117 [0,0,0,0,0,0|0,0,2]=2 15 B12R2.2786 CC1([C@@H]2CC[C@]1(C(=O)C2)C)C Molport-001-793-333 [0,0,0,0,0,0|0,0,0]=0 16 B12R2.2786 CC1([C@@H]2CC[C@]1(C(C2)N)C)C Molport-039-333-461 [0,0,0,0,0,0|1,0,1]=2 17 B12R2.2786 CC1([C@@H]2CC[C@]1([C@@H](C2)N)C)C Molport-003-664-204 [0,0,0,0,0,0|1,0,1]=2 18 B12R2.2786 CC1([C@@H]2CC[C@]1([C@@H](C2)O)C)C Molport-001-791-165 [0,0,0,0,0,0|0,0,2]=2 19 B12R2.2786 CC1([C@@H]2CC[C@]1([C@H](C2)N)C)C Molport-029-945-642 [0,0,0,0,0,0|1,0,1]=2 20 B12R2.2786 CC1([C@@H]2CC[C@]1([C@H](C2)O)C)C Molport-003-926-877 [0,0,0,0,0,0|0,0,2]=2 21 B12R2.2786 CC1([C@H]2CC[C@@]1(C(=O)C2)C)C Molport-001-793-706 [0,0,0,0,0,0|0,0,0]=0 22 B12R2.2786 CC1([C@H]2CC[C@@]1(C(C2)O)C)C Molport-004-784-517 [0,0,0,0,0,0|0,0,2]=2 23 B12R2.2786 CC1([C@H]2CC[C@@]1([C@@H](C2)O)C)C Molport-001-791-166 [0,0,0,0,0,0|0,0,2]=2 24 B12R2.2786 CC1([C@H]2CC[C@@]1([C@H](C2)O)C)C Molport-006-110-792 [0,0,0,0,0,0|0,0,2]=2 25 B12R2.2786 CC1([C@H]2CC[C@]1([C@H](C2)N)C)C Molport-051-929-718 [0,0,0,0,0,0|1,0,1]=2 26 B11R2.732 CC1(C2CCC1C(C2)N)C Molport-051-934-593 [1,0,0,0,0,0|1,0,1]=3 27 B11R2.732 CC1([C@H]2CC[C@@H]1C(C2)N)C Molport-042-678-373 [1,0,0,0,0,0|1,0,1]=3 28 B11R2.2357 CC1(C2CCC1(CC2)N)C Molport-046-024-174 [1,0,0,0,0,0|1,0,1]=3 29 B11R2.2357 CC1([C@H]2CC[C@@]1(C=C2)C)C Molport-039-242-498 [1,0,0,0,0,0|0,0,1]=2 30 B13R2.6173 CC1(C2CCC1(/C(=N/O)/C2)C)C Molport-000-141-939 [0,1,0,0,0,0|0,0,1]=2 31 B13R2.6173 CC1(C2CCC1(/C(=N\O)/C2)C)C Molport-000-422-001 [0,1,0,0,0,0|0,0,1]=2 32 B13R2.6173 CC1(C2CCC1(C(=NO)C2)C)C Molport-003-179-115 [0,1,0,0,0,0|0,0,1]=2 33 B13R2.6173 CC1(C2CCC1(C(C2)NN)C)C Molport-035-748-660 [0,1,0,0,0,0|1,0,1]=3 34 B13R2.6173 CC1([C@@H]2CC[C@]1(/C(=N/O)/C2)C)C Molport-003-927-873 [0,1,0,0,0,0|0,0,1]=2 35 B13R2.6173 CC1([C@@H]2CC[C@]1(C(=NO)C2)C)C Molport-044-724-406 [0,1,0,0,0,0|0,0,1]=2 36 B13R2.11579 CC1([C@@H]2CC[C@]1([C@](C2)(C)O)C)C Molport-028-615-660 [0,1,0,0,0,0|0,0,2]=3 37 B13R2.13409 CC1(C2CC(C1(CC2=O)C)O)C Molport-000-510-329 [0,1,0,0,0,0|0,0,3]=4 38 B13R2.16542 CC1(C2CCC1(C(=O)C2=O)C)C Molport-002-506-800 [0,1,0,0,0,0|0,0,1]=2 39 B13R2.16542 CC1(C2CCC1(C(C2S)O)C)C Molport-019-781-747 [0,1,0,0,0,0|0,0,2]=3 40 B13R2.16542 CC1([C@@H]2CCC1(C(=O)C2=O)C)C Molport-002-507-339 [0,1,0,0,0,0|0,0,1]=2 41 B13R2.16542 CC1([C@@H]2CC[C@]1(C(=O)C2=O)C)C Molport-003-907-940 [0,1,0,0,0,0|0,0,1]=2 42 B13R2.16542 CC1([C@@H]2CC[C@]1([C@@H]([C@@H]2N)O)C)C Molport-053-110-523 [0,1,0,0,0,0|0,0,2]=3 43 B13R2.16542 CC1([C@@H]2CC[C@]1([C@@H]([C@@H]2O)O)C)C Molport-023-278-739 [0,1,0,0,0,0|0,0,2]=3 44 B13R2.16542 CC1([C@H]2CC[C@@]1(C(=O)C2=O)C)C Molport-003-928-917 [0,1,0,0,0,0|0,0,1]=2 45 B13R2.16542 CC1([C@H]2CC[C@@]1([C@H]([C@H]2O)O)C)C Molport-051-974-177 [0,1,0,0,0,0|0,0,2]=3 46 B13R2.16542 CC1([C@H]2CC[C@]1(C(=O)C2=O)C)C Molport-051-928-302 [0,1,0,0,0,0|0,0,1]=2 47 B13R2.16542 CC1([C@H]2CC[C@]1([C@@H]([C@@H]2O)O)C)C Molport-051-929-715 [0,1,0,0,0,0|0,0,2]=3 48 B13R2.16844 CC1(C2CCC1(C(=O)C2)C#N)C Molport-006-734-638 [0,1,0,0,0,0|0,0,1]=2 49 B13R2.16844 CC1(C2CCC1(C(C2)O)CS)C Molport-000-860-958 [0,1,0,0,0,0|0,0,2]=3 50 B13R2.16844 CC1(C2CC[C@]1(C(C2)O)CS)C Molport-028-751-100 [0,1,0,0,0,0|0,0,2]=3 51 B13R2.16844 CC1([C@@H]2CC[C@]1([C@@H](C2)O)CS)C Molport-029-945-681 [0,1,0,0,0,0|0,0,2]=3 52 B13R2.16844 CC1([C@@H]2CC[C@]1([C@H](C2)O)CS)C Molport-035-785-239 [0,1,0,0,0,0|0,0,2]=3 53 B13R2.16844 CC1([C@H]2CC[C@]1([C@@H](C2)O)CS)C Molport-051-929-716 [0,1,0,0,0,0|0,0,2]=3 54 B13R2.18788 CC1(C2CCC1(C(=O)C2)C)CO Molport-047-413-336 [0,1,0,0,0,0|0,0,0]=1 55 B13R2.22580 CC1(C2(CCC1(CC2=O)N)C)C Molport-003-749-348 [0,1,0,0,0,0|0,0,0]=1 56 B13R2.22580 CC12CCC(C1(C)C)(C(=O)C2)C Molport-000-252-840 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.21 CC(C)C1CCC(C(=O)C1)C Molport-005-939-961 [0,0,1,0,0,0|0,0,0]=1 58 B11R1.21 CC(C)C1CCC(C(C1)N)C Molport-006-710-095 [0,0,1,0,0,0|1,0,1]=3 59 B11R1.21 CC(C)C1CCC(C(C1)O)C Molport-003-659-868 [0,0,1,0,0,0|0,0,2]=3 60 B11R1.21 CC1CCC(CC1=O)C(=C)C Molport-001-791-999 [0,0,1,0,0,0|0,0,2]=3 61 B11R1.21 C[C@@H]1CC[C@H](CC1=O)C(=C)C Molport-006-116-972 [0,0,1,0,0,0|0,0,2]=3 62 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(=C)C Molport-005-909-364 [0,0,1,0,0,0|0,0,2]=3 63 B11R1.126 CNCC1CCN(C1(C)C)C Molport-019-879-591 [0,0,1,0,0,0|3,0,0]=4 64 B11R1.491 CC1(C(=O)OC(=O)C1(C)C)C Molport-002-954-694 [0,0,1,0,0,0|2,0,1]=4 65 B11R1.1191 C[C@H]1CC[C@@](C1(C)C)(C)CN Molport-042-623-198 [0,0,1,0,0,0|1,0,1]=3 66 B11R1.1191 C[C@H]1CC[C@@](C1(C)C)(C)CO Molport-035-930-595 [0,0,1,0,0,0|0,0,2]=3 67 B11R1.1386 CC1(CCCC1(F)F)C(=O)O Molport-029-095-883 [0,0,1,0,0,0|3,0,0]=4 68 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Molport-027-631-927 [0,0,1,0,0,0|2,0,0]=3 69 B11R1.1386 CC1(CNCC1(F)C(=O)O)C Molport-047-110-590 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.1386 CC1(OCCC1(O)C(=O)O)C Molport-051-777-793 [0,0,1,0,0,0|3,0,0]=4 71 B13R3.23441 CC12CC3C1CCC2(C3=O)C Molport-000-451-610 [0,0,0,1,0,0|0,0,0]=1 72 B11R2.1734 CC1([C@@H]2CC[C@]1(C2N)C)C Molport-047-771-072 [0,0,0,0,1,0|1,0,1]=3 73 B13R2.10768 CC1(NC2(CCC1CC2=O)C)C Molport-002-136-233 [0,0,0,0,0,1|0,0,0]=1 74 B13R2.10768 CC1(OC2(CC[C@@H]1C[C@@H]2O)C)C Molport-039-052-570 [0,0,0,0,0,1|0,0,2]=3 75 B13R2.10768 CC1(O[C@]2(CC[C@@H]1C[C@@H]2O)C)C Molport-044-723-275 [0,0,0,0,0,1|0,0,2]=3 76 B13R2.11657 CC1(C2CCC1(C(=O)NC2)C)C Molport-003-659-775 [0,0,0,0,0,1|0,0,0]=1 77 B10R1.13 CC(C)C1CCC(CC1)O Molport-002-501-745 [1,0,1,0,0,0|1,0,1]=4 78 B10R1.13 CC(C)[C@@H]1CC[C@@H](CC1)O Molport-046-024-899 [1,0,1,0,0,0|1,0,1]=4 79 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)O Molport-028-746-867 [1,0,1,0,0,0|1,0,1]=4 80 B10R1.113 CC(C)C1CCCC(=O)C1 Molport-003-921-231 [1,0,1,0,0,0|0,0,0]=2 81 B10R1.113 CC(C)C1CCCC(C1)N Molport-016-636-163 [1,0,1,0,0,0|1,0,1]=4 82 B10R1.133 CC1(CCCC1CCN)C Molport-025-932-990 [1,0,1,0,0,0|1,0,1]=4 83 B10R1.133 CNCC1CCCC1(C)C Molport-051-782-549 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.34 CCC1OC(=O)C(C1C)O Molport-051-929-726 [1,0,1,0,0,0|2,0,0]=4 85 B10R1.444 CC1(CC(=O)NC1CN)C Molport-046-141-172 [1,0,1,0,0,0|2,0,0]=4 86 B10R1.444 CC1(CC(=O)OC1CN)C Molport-045-971-889 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.444 CC1(CC(=O)OC1CO)C Molport-003-891-642 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.444 CC1(NC(=O)CC1CN)C Molport-046-508-706 [1,0,1,0,0,0|2,0,0]=4 89 B10R1.444 CC1(NC(=O)CC1CO)C Molport-029-241-955 [1,0,1,0,0,0|2,0,0]=4 90 B10R1.444 CCC1CC(=O)NC1(C)C Molport-024-726-842 [1,0,1,0,0,0|1,0,0]=3 91 B10R1.471 CC1(CNC(=O)C1(C)C)C Molport-035-717-560 [1,0,1,0,0,0|1,0,0]=3 92 B10R1.61 CC(C)C1CCCCC1=O Molport-006-112-785 [1,0,1,0,0,0|0,0,0]=2 93 B10R1.61 CC(C)C1CCCCC1N Molport-013-899-535 [1,0,1,0,0,0|1,0,1]=4 94 B10R1.61 CC(C)C1CCCCC1O Molport-003-657-148 [1,0,1,0,0,0|0,0,2]=4 95 B10R1.61 CC(C)C1OCCOC1=O Molport-046-510-286 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.230 CC1(CCCCC1=O)C#C Molport-004-755-728 [1,0,1,0,0,0|0,0,2]=4 97 B10R1.230 CC1(CCCCC1=O)C#N Molport-026-931-122 [1,0,1,0,0,0|1,0,1]=4 98 B10R1.230 CC1(CCCCC1=O)NO Molport-000-145-760 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.230 CC1(CCCCC1=O)[NH2+][O-] Molport-019-940-264 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.230 CCC1(CCCCC1=O)O Molport-046-790-672 [1,0,1,0,0,0|1,0,0]=3 101 B10R1.363 CC(C)C1(CCCCC1)O Molport-011-892-368 [1,0,1,0,0,0|1,0,1]=4 102 B10R1.128 CC1(CCCC1C(=O)O)C Molport-006-758-085 [1,0,1,0,0,0|1,0,0]=3 103 B10R1.128 CC1(CCNC1C(=O)O)C Molport-021-997-259 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.128 CC1(CCNC1C(=O)O)C Molport-035-770-653 [1,0,1,0,0,0|2,0,0]=4 105 B10R1.128 CC1(CCN[C@@H]1C(=O)O)C Molport-042-681-139 [1,0,1,0,0,0|2,0,0]=4 106 B10R1.128 CC1(CCN[C@H]1C(=O)O)C Molport-051-524-678 [1,0,1,0,0,0|2,0,0]=4 107 B10R1.128 CC1(CCOC1C(=O)O)C Molport-044-571-497 [1,0,1,0,0,0|2,0,0]=4 108 B10R1.128 CC1(CNCC1C(=O)O)C Molport-000-003-084 [1,0,1,0,0,0|2,0,0]=4 109 B10R1.128 CC1(CNCC1C(=O)O)C Molport-019-918-571 [1,0,1,0,0,0|2,0,0]=4 110 B10R1.128 CC1(CNC[C@@H]1C(=O)O)C Molport-035-682-300 [1,0,1,0,0,0|2,0,0]=4 111 B10R1.128 CC1(CNC[C@H]1C(=O)O)C Molport-046-931-970 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.128 CC1(COCC1C(=O)O)C Molport-029-498-262 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.128 CC1(NCCC1C(=O)O)C Molport-046-625-458 [1,0,1,0,0,0|2,0,0]=4 114 B10R1.128 CC1(OCCC1C(=O)O)C Molport-037-964-577 [1,0,1,0,0,0|2,0,0]=4 115 B10R1.128 C[C@@]1(CCC[C@H]1C(=O)O)N Molport-038-387-361 [1,0,1,0,0,0|2,0,0]=4 116 B10R1.128 C[C@@]1(CCC[C@H]1C(=O)O)N Molport-038-387-479 [1,0,1,0,0,0|2,0,0]=4 117 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Molport-002-054-109 [1,0,1,0,0,0|2,0,0]=4 118 B10R1.291 CC1(CCCC1N)C(=O)O Molport-027-713-977 [1,0,1,0,0,0|2,0,0]=4 119 B10R1.291 CC1(CCCC1O)C(=O)O Molport-022-366-998 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.291 CC1CCCC1(C)C(=O)O Molport-022-366-787 [1,0,1,0,0,0|1,0,0]=3 121 B10R1.291 CC1CCCC1(N)C(=O)N Molport-026-586-855 [1,0,1,0,0,0|2,0,0]=4 122 B10R1.291 CC1CCCC1(N)C(=O)O Molport-045-971-460 [1,0,1,0,0,0|2,0,0]=4 123 B10R1.291 CC1OCCC1(C)C(=O)O Molport-028-949-729 [1,0,1,0,0,0|2,0,0]=4 124 B10R1.291 CN1CCCC1(C)C(=O)O Molport-046-837-636 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.291 CN1CCC[C@@]1(C)C(=O)O Molport-047-459-521 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.291 CN1CCC[C@]1(C)C(=O)O Molport-048-627-094 [1,0,1,0,0,0|2,0,0]=4 127 B10R1.291 C[C@@H]1CNC[C@@]1(C)C(=O)O Molport-045-971-940 [1,0,1,0,0,0|2,0,0]=4 128 B10R2.20 CN1C2CCC1C(=O)C2 Molport-029-509-596 [2,0,0,0,0,0|1,0,0]=3 129 B10R2.19 CC12CCC(C1)CC2N Molport-016-583-498 [2,0,0,0,0,0|1,0,1]=4 130 B10R2.19 CC12CCN(C1)CC2=O Molport-044-435-955 [2,0,0,0,0,0|1,0,0]=3 131 B12R1.367 CC(CS)C1CCC(C(C1)S)C Molport-001-814-423 [0,1,1,0,0,0|0,1,1]=4 132 B12R1.367 COC(=O)C1CCC(C(=O)C1)C Molport-047-638-495 [0,1,1,0,0,0|1,0,1]=4 133 B12R1.898 CC1(C(CCC1=C)CC(=O)O)C Molport-006-734-668 [0,1,1,0,0,0|0,0,2]=4 134 B12R1.1729 COC(=O)C1(CCCCC1=O)C Molport-039-009-641 [0,1,1,0,0,0|1,0,1]=4 135 B12R1.3889 C[C@H]1CC[C@@](C1(C)C)(C)C(=O)O Molport-002-070-382 [0,1,1,0,0,0|0,0,0]=2 136 B12R1.3446 COC(=O)C1(CCCC1(C)C)N Molport-025-931-483 [0,1,1,0,0,0|1,0,0]=3 137 B12R1.3846 COC1(CCOC1(C)C)C(=O)O Molport-051-774-451 [0,1,1,0,0,0|2,0,0]=4 138 B12R2.508 CC1(C2CCC1C(C2O)O)C Molport-002-915-249 [1,1,0,0,0,0|0,0,2]=4 139 B12R2.570 CC1(C2CCC1C(C2)(C)O)C Molport-046-596-839 [1,1,0,0,0,0|0,0,2]=4 140 B12R2.570 CC1([C@@H]2CC[C@H]1C(C2)(C)O)C Molport-002-528-229 [1,1,0,0,0,0|0,0,2]=4 141 B12R2.7125 CC1(C2CCC1(CC2)CN)C Molport-045-971-497 [1,1,0,0,0,0|0,0,1]=3 142 B12R2.7125 CC1(C2CCC1(CC2)CO)C Molport-042-658-996 [1,1,0,0,0,0|0,0,1]=3 143 B14R2.13406 CC1(OC2(C(CC1CC2O)O)C)C Molport-003-713-217 [0,1,0,0,0,1|0,0,2]=4 144 B14R2.38421 CC1(NC\2(CCC1C/C2=N/O)C)C Molport-003-179-648 [0,1,0,0,0,1|0,0,1]=3 145 B14R2.27718 CC1(C2CCC1(C(=O)CC2=O)C)C Molport-035-929-917 [0,1,0,0,0,1|0,0,0]=2 146 B14R2.27718 CC1(C2CCC1(C(=O)NC2=O)C)C Molport-000-208-145 [0,1,0,0,0,1|0,0,1]=3 147 B14R2.27718 CC1(C2CCC1(C(=O)OC2=O)C)C Molport-001-763-796 [0,1,0,0,0,1|0,0,1]=3 148 B14R2.27718 CC1([C@@H]2CC[C@]1(C(=O)OC2=O)C)C Molport-029-657-440 [0,1,0,0,0,1|0,0,1]=3 149 B14R2.27718 CC1([C@H]2CC[C@@]1(C(=O)OC2=O)C)C Molport-047-107-094 [0,1,0,0,0,1|0,0,1]=3 150 B14R2.27073 CC1([C@@H]2CC[C@]1([C@@H](C2)OC=O)C)C Molport-044-723-564 [0,2,0,0,0,0|0,0,1]=3 151 B14R2.27073 CC1([C@H]2CC[C@@]1([C@H](C2)OC=O)C)C Molport-006-113-087 [0,2,0,0,0,0|0,0,1]=3 152 B14R2.38414 CC1(C2CCC1(/C(=N\O)/C2)C)CO Molport-047-413-335 [0,2,0,0,0,0|0,0,1]=3 153 B14R2.44166 CC1(C2CCC1(C(C2)(O)C#C)C)C Molport-002-933-925 [0,2,0,0,0,0|0,0,2]=4 154 B14R2.62291 CC1([C@@H]2CC[C@]1([C@H](C2)C(=O)O)C)C Molport-051-772-425 [0,2,0,0,0,0|0,0,1]=3 155 B14R2.18552 CC1(C\2CC[C@]1(C(=O)/C2=N/O)C)C Molport-051-570-784 [0,2,0,0,0,0|0,0,1]=3 156 B14R2.18552 CC1([C@@H]2CC[C@@]1(C(=O)C2=NO)C)C Molport-051-929-707 [0,2,0,0,0,0|0,0,1]=3 157 B14R2.18552 CC1([C@@H]\2CC[C@]1(C(=O)/C2=N/O)C)C Molport-046-593-506 [0,2,0,0,0,0|0,0,1]=3 158 B14R2.18552 CC1([C@@H]\2CC[C@]1(C(=O)/C2=N\O)C)C Molport-003-927-870 [0,2,0,0,0,0|0,0,1]=3 159 B14R2.18552 CC1([C@H]\2CC[C@@]1(C(=O)/C2=N/O)C)C Molport-023-278-263 [0,2,0,0,0,0|0,0,1]=3 160 B14R2.18552 CC1([C@H]\2CC[C@@]1(C(=O)/C2=N\O)C)C Molport-003-928-930 [0,2,0,0,0,0|0,0,1]=3 161 B14R2.18552 CSC1C(C2(CCC1C2(C)C)C)O Molport-039-099-274 [0,2,0,0,0,0|0,0,2]=4 162 B14R2.69067 CC1(C2(CCC1(C(=O)C2=O)C)C)C Molport-000-252-842 [0,2,0,0,0,0|0,0,1]=3 163 B14R2.27846 CC1(C2CCC1(C(=O)C2)C(=O)N)C Molport-000-336-856 [0,2,0,0,0,0|0,0,1]=3 164 B14R2.27846 CC1(C2CCC1(C(=O)C2)C(=O)O)C Molport-000-156-701 [0,2,0,0,0,0|0,0,1]=3 165 B14R2.27846 CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C Molport-020-014-518 [0,2,0,0,0,0|0,0,1]=3 166 B14R2.27846 CC1([C@H]2CC[C@@]1(C(=O)C2)C(=O)O)C Molport-035-682-949 [0,2,0,0,0,0|0,0,1]=3 167 B14R2.27846 CC1([C@H]2CC[C@]1(C(=O)C2)C(=O)O)C Molport-051-928-294 [0,2,0,0,0,0|0,0,1]=3 168 B14R2.86732 CC1(C2(CCC1(CC2O)CO)C)C Molport-020-248-452 [0,2,0,0,0,0|0,0,2]=4 169 B12R2.598 C[C@@H]1CC[C@@H]2C[C@H]1SC2(C)C Molport-028-746-498 [0,0,1,1,0,0|0,1,1]=4 170 B12R2.598 C[C@H]1CC[C@@H]2C[C@H]1SC2(C)C Molport-039-330-986 [0,0,1,1,0,0|0,1,1]=4 171 B12R2.598 C[C@H]1CC[C@H]2C[C@@H]1SC2(C)C Molport-028-746-525 [0,0,1,1,0,0|0,1,1]=4 172 B12R2.1040 C[C@]1(C[C@H]2CC[C@@H]1CC2=O)N Molport-047-860-862 [0,0,1,1,0,0|1,0,0]=3 173 B12R2.1046 CC(C)[C@@]12C[C@@H]1C(C(=O)C2)C Molport-051-853-189 [0,0,1,1,0,0|0,0,0]=2 174 B12R2.1046 CC(C)[C@@]12C[C@@H]1[C@H](C(=O)C2)C Molport-001-793-638 [0,0,1,1,0,0|0,0,0]=2 175 B12R2.2863 CC1C2CC(C2(C)C)CC1O Molport-004-288-348 [0,0,1,1,0,0|0,0,2]=4 176 B12R2.2863 C[C@@H]1C2CC(C2(C)C)C[C@H]1N Molport-003-931-651 [0,0,1,1,0,0|1,0,1]=4 177 B12R2.2863 C[C@@H]1C2CC(C2(C)C)C[C@H]1O Molport-003-928-048 [0,0,1,1,0,0|0,0,2]=4 178 B12R2.2863 C[C@@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1O Molport-051-771-844 [0,0,1,1,0,0|0,0,2]=4 179 B12R2.2863 C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1N Molport-001-791-140 [0,0,1,1,0,0|1,0,1]=4 180 B12R2.2863 C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1N Molport-047-156-753 [0,0,1,1,0,0|1,0,1]=4 181 B12R2.2863 C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1O Molport-000-860-957 [0,0,1,1,0,0|0,0,2]=4 182 B12R2.2863 C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O Molport-006-111-757 [0,0,1,1,0,0|0,0,0]=2 183 B12R2.2863 C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1N Molport-001-791-106 [0,0,1,1,0,0|1,0,1]=4 184 B12R2.2863 C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1O Molport-042-623-677 [0,0,1,1,0,0|0,0,2]=4 185 B12R2.3180 CC(C)[C@@H]1CCC2(OC2C1)C Molport-023-331-761 [0,0,1,1,0,0|0,0,2]=4 186 B12R2.5952 C[C@@]12CC[C@@H](C1(C)C)CNC2 Molport-046-148-349 [0,0,1,1,0,0|2,0,0]=4 187 B12R2.3091 CC1(OCC2C1(C2)C(=O)O)C Molport-042-604-303 [0,0,1,1,0,0|2,0,0]=4 188 B12R2.3092 CC1(C2CC1(CC2)C(=O)O)C Molport-006-734-667 [0,0,1,1,0,0|1,0,0]=3 189 B12R2.3092 CC1(C2CC1(OC2)C(=O)O)C Molport-047-656-289 [0,0,1,1,0,0|2,0,0]=4 190 B12R2.6499 NC1(CCCC12CC2)C(=O)O Molport-047-555-407 [0,0,1,1,0,0|2,0,0]=4 191 B12R3.1317 N[C@@H]1C[C@@H]2CC[C@H]1C23CC3 Molport-047-108-405 [1,0,0,1,0,0|1,0,1]=4 192 B12R3.1317 O=C1CC2C=CC1C23CC3 Molport-047-348-616 [1,0,0,1,0,0|0,0,2]=4 193 B12R3.1317 O=C1CC2CCC1C23CC3 Molport-047-347-816 [1,0,0,1,0,0|0,0,0]=2 194 B12R3.4045 CC12C3C1CC(C3)C2(C)C Molport-006-111-525 [1,0,0,1,0,0|0,0,1]=3 195 B12R3.4045 C[C@]12[C@@H]3[C@H]1C[C@@H](C3)C2(C)C Molport-051-905-956 [1,0,0,1,0,0|0,0,1]=3 196 B10R1.365 CC1(CCC1(N)C(=O)O)C Molport-051-774-436 [0,0,1,0,1,0|2,0,0]=4 197 B12R1.3097 CC1(CCCC(C1)(N)C(=O)O)C Molport-021-224-776 [0,0,1,0,0,1|2,0,0]=4 198 B12R1.3097 CC1(CCCC(C1)(O)C(=O)O)C Molport-021-225-213 [0,0,1,0,0,1|2,0,0]=4 199 B12R2.5234 CC12CCC(CC1)C(O2)(C)C Molport-003-929-343 [1,0,0,0,0,1|0,0,1]=3 200 B12R2.5234 CC12CC[C@@H](CC1)C(O2)(C)C Molport-039-339-173 [1,0,0,0,0,1|0,0,1]=3 201 B12R2.5234 C[C@@]12CC[C@@H](CC1)C(O2)(C)C Molport-003-666-059 [1,0,0,0,0,1|0,0,1]=3 202 B12R2.1152 CC1(CC2(CC1CC2=O)C)C Molport-023-333-520 [0,0,0,0,1,1|0,0,0]=2