0 B7R0.4 CC(=CCCCN)C Molport-022-364-717 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CC(=CCCCO)C Molport-046-790-896 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 CCCCC=C(C)C Molport-003-926-052 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 CC(=CCC#N)C Molport-001-762-121 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 CC(=CCCN)C Molport-012-948-505 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 CC(=CCCO)C Molport-003-929-857 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.7 CC(=CCCN=[N+]=[N-])C Molport-051-783-802 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.28 CC(=CCCC(=O)C)C Molport-001-788-424 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.28 CC(=CCCC(=O)O)C Molport-019-905-045 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.28 CC(N)CCC=C(C)C Molport-006-123-805 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.28 CC(O)CCC=C(C)C Molport-002-501-771 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.28 C[C@@H](O)CCC=C(C)C Molport-020-006-062 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.28 C[C@H](O)CCC=C(C)C Molport-028-746-495 [0,1,0,0,0,0|1,0,2]=4 14 B8R1.4 CC1CCCC(=O)C1 Molport-001-793-304 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.4 CC1CCOC(=O)O1 Molport-046-419-204 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.4 C[C@@H]1CCCC(=O)C1 Molport-001-794-008 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.4 C[C@H]1CCCC(=O)C1 Molport-019-999-069 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.4 O=C1CCCC(=O)C1 Molport-001-766-691 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.19 CC1(CCCC1=O)C Molport-001-639-786 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.19 CC1(CCNC1=O)C Molport-009-195-986 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.19 CC1(CCNC1=O)C Molport-035-758-178 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.19 CC1(CCOC1=O)C Molport-009-198-442 [0,0,0,1,0,0|0,0,2]=3 23 B8R1.19 CC1(CCOC1=O)N Molport-038-949-250 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.19 CC1(NCCC1=O)C Molport-027-837-709 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.19 CC1(OCCC1=O)C Molport-006-126-809 [0,0,0,1,0,0|2,0,1]=4 26 B5R0.1 CCC=C(C)C Molport-003-938-589 [2,0,0,0,0,0|0,0,1]=3 27 B7R0.6 CC(=CCC(=O)O)C Molport-003-662-505 [1,1,0,0,0,0|0,0,0]=2 28 B7R0.6 CC(C)CC=C(C)C Molport-028-747-066 [1,1,0,0,0,0|1,0,1]=4 29 B9R0.1 CC(CCC=C(C)C)C=C Molport-006-114-327 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.7 CC(=CCC(N)C(=O)O)C Molport-004-347-820 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C Molport-038-512-940 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.7 CC(=CC[C@H](N)C(=O)O)C Molport-038-512-939 [0,2,0,0,0,0|1,0,0]=3 33 B7R1.2 CC1=CC(=O)CC1 Molport-001-793-640 [1,0,0,1,0,0|0,0,2]=4 34 B7R1.2 CC1CC(=O)CN1 Molport-038-083-439 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.2 CC1CCC(=O)C1 Molport-002-498-127 [1,0,0,1,0,0|0,0,2]=4 36 B7R1.2 CC1CNC(=O)C1 Molport-009-172-483 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.2 CC1COC(=O)C1 Molport-037-962-018 [1,0,0,1,0,0|0,0,1]=3 38 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-801 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.2 C[C@@H]1CC(=O)CN1 Molport-051-543-802 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.2 C[C@@H]1CCC(=O)C1 Molport-001-793-705 [1,0,0,1,0,0|0,0,2]=4 42 B7R1.2 C[C@@H]1CNC(=O)C1 Molport-027-948-657 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.2 C[C@@H]1COC(=O)C1 Molport-006-131-730 [1,0,0,1,0,0|0,0,1]=3 44 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.2 C[C@H]1CC(=O)CN1 Molport-051-485-873 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.2 C[C@H]1CCC(=O)C1 Molport-046-774-054 [1,0,0,1,0,0|0,0,2]=4 47 B7R1.2 C[C@H]1CNC(=O)C1 Molport-027-948-656 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.2 C[C@H]1COC(=O)C1 Molport-039-332-293 [1,0,0,1,0,0|0,0,1]=3 49 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.2 NC1COC(=O)C1 Molport-004-802-188 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.2 NC1COC(=O)C1 Molport-019-990-642 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.2 N[C@@H]1COC(=O)C1 Molport-023-222-273 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.2 N[C@H]1COC(=O)C1 Molport-019-879-208 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.2 O=C1CCC(=O)C1 Molport-000-002-566 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.2 O=C1CNC(=O)C1 Molport-019-879-276 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.2 OC1COC(=O)C1 Molport-003-915-369 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.2 O[C@@H]1COC(=O)C1 Molport-001-793-714 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.2 O[C@H]1COC(=O)C1 Molport-000-003-949 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.4 CC1=CCCC1=O Molport-003-661-909 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.4 CC1CCOC1=O Molport-003-926-035 [1,0,0,1,0,0|0,0,2]=4 62 B7R1.4 O=C1CCOC1=O Molport-051-739-326 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.38 CC1CC(C(=O)O1)(C)C Molport-051-772-797 [0,1,0,1,0,0|0,0,2]=4 64 B9R1.41 CC(=O)C1CCOC1=O Molport-001-793-371 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.41 CC(=O)[C@@H]1CCOC1=O Molport-019-998-055 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.66 CC1(CCOC(=O)C1)C Molport-037-962-852 [0,1,0,1,0,0|0,0,2]=4 67 B9R1.40 CC1(OCCOC1=O)C Molport-042-622-485 [0,1,0,1,0,0|0,0,2]=4 68 B9R1.35 CC(=O)C1COC(=O)C1 Molport-022-257-173 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.69 CC1CC(=O)CCC1=O Molport-047-975-064 [0,1,0,1,0,0|1,0,1]=4 70 B9R1.106 CC1(C(=O)CCC1=O)C Molport-016-892-957 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.106 CC1(C(=O)COC1=O)C Molport-006-116-881 [0,1,0,1,0,0|0,0,1]=3 72 B9R2.5 O=C1OCCC12CC2 Molport-028-950-678 [0,0,0,2,0,0|0,0,2]=4