0 B5R0.1 CCC=C(C)C Molport-003-938-589 [1,0,0,0,0,0|0,0,1]=2 1 B7R1.2 CC1=CC(=O)CC1 Molport-001-793-640 [0,0,0,1,0,0|0,0,0]=1 2 B7R1.2 CC1CC(=O)CN1 Molport-038-083-439 [0,0,0,1,0,0|1,0,2]=4 3 B7R1.2 CC1CCC(=O)C1 Molport-002-498-127 [0,0,0,1,0,0|0,0,2]=3 4 B7R1.2 CC1CCC(=O)N1 Molport-003-958-841 [0,0,0,1,0,0|1,0,1]=3 5 B7R1.2 CC1CCC(=O)O1 Molport-003-939-842 [0,0,0,1,0,0|1,0,1]=3 6 B7R1.2 CC1CNC(=O)C1 Molport-009-172-483 [0,0,0,1,0,0|1,0,2]=4 7 B7R1.2 CC1COC(=O)C1 Molport-037-962-018 [0,0,0,1,0,0|1,0,2]=4 8 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-801 [0,0,0,1,0,0|1,0,2]=4 10 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-802 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.2 C[C@@H]1CCC(=O)C1 Molport-001-793-705 [0,0,0,1,0,0|0,0,2]=3 12 B7R1.2 C[C@@H]1CCC(=O)N1 Molport-046-857-740 [0,0,0,1,0,0|1,0,1]=3 13 B7R1.2 C[C@@H]1CCC(=O)O1 Molport-003-932-892 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.2 C[C@@H]1CNC(=O)C1 Molport-027-948-657 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 C[C@@H]1COC(=O)C1 Molport-006-131-730 [0,0,0,1,0,0|1,0,2]=4 16 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.2 C[C@H]1CC(=O)CN1 Molport-051-485-873 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.2 C[C@H]1CCC(=O)C1 Molport-046-774-054 [0,0,0,1,0,0|0,0,2]=3 19 B7R1.2 C[C@H]1CCC(=O)N1 Molport-046-703-207 [0,0,0,1,0,0|1,0,1]=3 20 B7R1.2 C[C@H]1CCC(=O)O1 Molport-028-949-582 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.2 C[C@H]1CNC(=O)C1 Molport-027-948-656 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.2 C[C@H]1COC(=O)C1 Molport-039-332-293 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 NC1CCC(=O)C1 Molport-051-810-973 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.2 NC1CCC(=O)N1 Molport-051-795-311 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 O=C1CCC(=O)C1 Molport-000-002-566 [0,0,0,1,0,0|1,0,1]=3 27 B7R1.2 O=C1CCC(=O)O1 Molport-000-871-978 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.2 O=C1CNC(=O)C1 Molport-019-879-276 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.2 OC1CCC(=O)C1 Molport-025-714-273 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.2 OC1CCC(=O)N1 Molport-023-298-861 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.2 OC1CCC(=O)O1 Molport-035-944-376 [0,0,0,1,0,0|2,0,1]=4 33 B7R0.6 CC(=CCC(=O)O)C Molport-003-662-505 [0,0,0,0,0,1|1,0,0]=2 34 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [0,0,0,0,0,1|1,0,1]=3 35 B6R0.4 CC(=CCC#N)C Molport-001-762-121 [1,1,0,0,0,0|0,0,2]=4 36 B6R0.4 CC(=CCCN)C Molport-012-948-505 [1,1,0,0,0,0|0,0,1]=3 37 B6R0.4 CC(=CCCO)C Molport-003-929-857 [1,1,0,0,0,0|0,0,1]=3 38 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,1,0,0,0,0|0,0,1]=3 39 B8R0.29 CC(=CCC(C)(C)C)C Molport-047-409-271 [0,1,0,0,0,1|1,0,1]=4 40 B6R1.2 O=C1CCCC1 Molport-000-871-991 [1,0,0,1,0,0|0,0,2]=4 41 B6R1.2 O=C1CCNC1 Molport-000-006-145 [1,0,0,1,0,0|1,0,1]=4 42 B6R1.2 O=C1CCNC1 Molport-009-197-349 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.11 CC(=O)C1CO1 Molport-001-756-793 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.3 C=C1CCC(=O)CC1 Molport-039-202-980 [0,0,0,1,0,1|0,0,2]=4 45 B8R1.3 CC1CCC(=O)CC1 Molport-001-769-168 [0,0,0,1,0,1|0,0,2]=4 46 B8R1.3 O=C1CCC(=O)CC1 Molport-001-769-130 [0,0,0,1,0,1|1,0,1]=4 47 B8R1.51 CC1(CC(=O)CN1)C Molport-027-713-940 [0,0,0,1,0,1|0,0,2]=4 48 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [0,0,0,1,0,1|0,0,2]=4 49 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [0,0,0,1,0,1|0,0,2]=4 50 B8R1.51 CC1(CNC(=O)C1)C Molport-009-194-686 [0,0,0,1,0,1|0,0,2]=4 51 B8R1.51 CC1(COC(=O)C1)C Molport-028-948-920 [0,0,0,1,0,1|0,0,2]=4 52 B8R1.1 CCC1=CC(=O)CC1 Molport-022-056-534 [0,1,0,1,0,0|0,0,0]=2 53 B8R1.1 CCC1CCC(=O)C1 Molport-011-284-955 [0,1,0,1,0,0|0,0,2]=4 54 B8R1.1 CCC1CCC(=O)O1 Molport-001-769-670 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.1 CC[C@@H]1CCC(=O)C1 Molport-047-932-154 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.1 CC[C@H]1CCC(=O)C1 Molport-047-932-155 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.1 CC[C@H]1CCC(=O)O1 Molport-051-570-676 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.1 COC1=CC(=O)CC1 Molport-003-931-699 [0,1,0,1,0,0|0,0,0]=2 59 B8R1.1 COC1CCC(=O)C1 Molport-025-713-966 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.1 COC1CCC(=O)N1 Molport-003-848-656 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.1 CSC1CCC(=O)C1 Molport-021-507-410 [0,1,0,1,0,0|0,0,2]=4 62 B8R1.1 FCC1CCC(=O)C1 Molport-029-078-121 [0,1,0,1,0,0|0,0,2]=4 63 B8R1.1 NCC1CCC(=O)C1 Molport-047-778-306 [0,1,0,1,0,0|0,0,2]=4 64 B8R1.1 NCC1CCC(=O)O1 Molport-042-605-418 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.1 OCC1CCC(=O)C1 Molport-023-298-931 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.1 OCC1CCC(=O)N1 Molport-000-004-281 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.1 OCC1CCC(=O)O1 Molport-002-041-668 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.1 OC[C@@H]1CCC(=O)C1 Molport-049-212-646 [0,1,0,1,0,0|0,0,2]=4 69 B8R1.1 OC[C@@H]1CCC(=O)N1 Molport-000-003-960 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.1 OC[C@@H]1CCC(=O)O1 Molport-002-499-362 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.1 OC[C@H]1CCC(=O)C1 Molport-035-683-130 [0,1,0,1,0,0|0,0,2]=4 72 B8R1.1 OC[C@H]1CCC(=O)N1 Molport-000-003-959 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.1 OC[C@H]1CCC(=O)O1 Molport-002-501-503 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.4 CC1CCCC(=O)C1 Molport-001-793-304 [0,1,0,1,0,0|0,0,2]=4 75 B8R1.4 CC1CCOC(=O)O1 Molport-046-419-204 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.4 C[C@@H]1CCCC(=O)C1 Molport-001-794-008 [0,1,0,1,0,0|0,0,2]=4 77 B8R1.4 C[C@H]1CCCC(=O)C1 Molport-019-999-069 [0,1,0,1,0,0|0,0,2]=4 78 B8R1.4 O=C1CCCC(=O)C1 Molport-001-766-691 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.18 CC1=CC(=O)CC1O Molport-051-911-673 [0,1,0,1,0,0|0,0,0]=2 80 B8R1.18 CC1=CC(CC1=O)O Molport-047-157-084 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.18 CC1CC(=O)C=C1C Molport-003-985-986 [0,1,0,1,0,0|0,0,0]=2 82 B8R1.18 CC1CC(=O)NC1=O Molport-009-340-918 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.18 CC1CC(=O)NC1C Molport-020-966-511 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.18 CC1CC(=O)OC1=O Molport-001-792-084 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.18 CC1CC(=O)OC1C Molport-028-750-286 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.18 CC1CC(C(=O)N1)C Molport-039-240-722 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.18 CC1CC(C(=O)O1)N Molport-038-948-734 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.18 CC1NC(=O)CC1O Molport-049-203-384 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.18 CN1CC(=O)CC1=O Molport-022-470-242 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.18 C[C@@H]1CC(=O)NC1=O Molport-051-763-291 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O Molport-047-412-881 [0,1,0,1,0,0|1,0,1]=4 92 B8R1.18 C[C@H]1CC(=O)OC1=O Molport-003-801-082 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.18 C[C@H]1C[C@@H](C(=O)N1)O Molport-051-934-507 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.18 NC1CC(=O)OC1=O Molport-009-684-577 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.18 N[C@@H]1CC(=O)OC1=O Molport-006-709-497 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.18 N[C@H]1CC(=O)OC1=O Molport-044-556-591 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.29 CC1C(=O)CC1(C)C Molport-047-639-901 [0,1,0,1,0,0|0,0,2]=4 98 B8R1.50 CC1=C(C(=O)CC1)C Molport-003-931-571 [0,1,0,1,0,0|0,0,0]=2 99 B8R1.50 CC1=C(C(=O)CC1)O Molport-003-987-222 [0,1,0,1,0,0|0,0,0]=2 100 B8R1.50 CC1=C(CCC1=O)O Molport-005-939-471 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.50 CC1C(=O)CCC1=O Molport-001-757-059 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.50 CC1CCC(=O)C1=O Molport-001-766-677 [0,1,0,1,0,0|0,0,1]=3 103 B8R1.50 CC1CCC(=O)C1=O Molport-027-834-657 [0,1,0,1,0,0|0,0,1]=3 104 B8R1.50 CC1N(CCC1=O)C Molport-029-670-533 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.50 CN1CCC(=C)C1=O Molport-044-560-206 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.50 C[C@H]1CCC(=O)C1=O Molport-051-570-627 [0,1,0,1,0,0|0,0,1]=3 107 B8R2.4 O=C1CC2CC1C2 Molport-047-104-142 [0,0,0,2,0,0|0,0,2]=4 108 B8R2.18 O=C1CC2CC2C1 Molport-021-996-092 [0,0,0,2,0,0|0,0,2]=4 109 B8R2.18 O=C1CC2CC2N1 Molport-047-588-844 [0,0,0,2,0,0|1,0,1]=4 110 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 Molport-042-681-498 [0,0,0,2,0,0|0,0,2]=4 111 B8R2.38 O=C1CCC2C1C2 Molport-029-498-628 [0,0,0,2,0,0|0,0,2]=4 112 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 Molport-038-948-003 [0,0,0,2,0,0|0,0,2]=4 113 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 Molport-044-432-507 [0,0,0,2,0,0|0,0,2]=4 114 B8R2.53 O=C1CC2(C1)CC2 Molport-026-437-306 [0,0,0,2,0,0|0,0,2]=4 115 B8R0.28 CC(=CCCC(=O)C)C Molport-001-788-424 [0,0,0,0,0,2|0,0,0]=2 116 B8R0.28 CC(=CCCC(=O)O)C Molport-019-905-045 [0,0,0,0,0,2|1,0,0]=3 117 B8R0.28 CC(N)CCC=C(C)C Molport-006-123-805 [0,0,0,0,0,2|1,0,1]=4 118 B8R0.28 CC(O)CCC=C(C)C Molport-002-501-771 [0,0,0,0,0,2|0,0,2]=4 119 B8R0.28 C[C@@H](O)CCC=C(C)C Molport-020-006-062 [0,0,0,0,0,2|0,0,2]=4 120 B8R0.28 C[C@H](O)CCC=C(C)C Molport-028-746-495 [0,0,0,0,0,2|0,0,2]=4