0 B9R1.38 CC1(CC(=O)CC1=O)C Molport-029-657-759 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.38 CC1(CC(=O)OC1=C)C Molport-000-882-291 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.38 CC1(CC(=O)OC1=O)C Molport-000-154-936 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.38 CC1(NC(=O)CC1=O)C Molport-022-469-773 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.38 CC1(NC(=O)CC1N)C Molport-039-125-892 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.38 CC1(NC(=O)CC1O)C Molport-047-919-463 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.38 CC1(OC(=O)OC1=C)C Molport-001-761-602 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.38 CC1CC(=O)C(O1)(C)C Molport-047-414-642 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.38 CC1CC(=O)NC1(C)C Molport-019-879-639 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.38 CC1CC(=O)OC1(C)C Molport-039-033-256 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.38 CC1NC(=O)CC1(C)C Molport-020-966-538 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.38 CC1OC(=O)CC1(C)C Molport-039-033-258 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.18 CC1CC(=O)C=C1C Molport-003-985-986 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1CC(=O)NC1=O Molport-009-340-918 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.18 CC1CC(=O)OC1=O Molport-001-792-084 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.18 CC1CC(=O)OC1C Molport-028-750-286 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.18 CC1CC(=O)OC1O Molport-046-156-760 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.18 CC1NC(=O)CC1O Molport-049-203-384 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.18 CC1OC(=C)CC1=O Molport-051-911-897 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.18 CC1OC(=O)OC1=O Molport-053-104-769 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.18 CC1OC(=O)OC1C Molport-039-014-120 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.18 C[C@@H]1CC(=O)NC1=O Molport-051-763-291 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O Molport-047-412-881 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.18 C[C@@H]1OC(=O)OC1=O Molport-051-747-776 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.18 C[C@H]1CC(=O)OC1=O Molport-003-801-082 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.19 CC1(OCCC1=O)C Molport-006-126-809 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.51 CC1(CC(=O)CN1)C Molport-027-713-940 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.51 CC1(CCC(=O)O1)C Molport-002-499-359 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.51 CC1(CNC(=O)C1)C Molport-009-194-686 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.51 CC1(COC(=O)C1)C Molport-028-948-920 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.51 CC1(COC(=O)O1)C Molport-006-116-213 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.51 CC1(OCC(=C)O1)C Molport-047-442-741 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.51 CC1(OCC(=O)O1)C Molport-003-846-881 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.272 CC1(CC(=O)NC1(C)O)C Molport-001-921-949 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.272 CC1(CC(=O)OC1(C)C)C Molport-002-486-938 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.272 CC1(OC(=O)OC1(C)C)C Molport-002-929-356 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.444 CC1(CC(=O)OC1CO)C Molport-003-891-642 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.444 CC1(NC(=O)CC1CO)C Molport-029-241-955 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.444 CC1(OC(=O)CC1C#N)C Molport-000-724-501 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.475 CCC1(CC(=O)NC1=O)C Molport-003-666-417 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.475 CCC1(CC(=O)OC1=O)C Molport-006-129-147 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.475 CCC1(OC(=O)OC1=C)C Molport-001-758-421 [0,1,0,0,0,0|2,0,0]=3 44 B10R2.44 O=C1CC2(CC2)C(=O)O1 Molport-022-146-872 [0,0,0,1,0,0|2,0,1]=4 45 B10R2.44 O=C1NC(=O)C2(O1)CC2 Molport-044-422-098 [0,0,0,1,0,0|0,0,2]=3 46 B10R2.295 CC1(OC(=O)C2C1C2)C Molport-046-202-583 [0,0,0,1,0,0|2,0,1]=4 47 B10R2.296 C[C@]12C[C@H]1C(=O)OC2=O Molport-044-618-474 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.29 CC1C(=O)CC1(C)C Molport-047-639-901 [0,0,0,0,1,0|2,0,1]=4 49 B10R1.63 CC1(CCC(=O)CC1=O)C Molport-003-930-585 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.63 CC1(CCC(=O)CC1O)C Molport-044-846-757 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.120 CC1(CC(=O)CCC1O)C Molport-035-677-524 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.120 CC1(CC(=O)NCC1=O)C Molport-046-832-079 [0,0,0,0,0,1|1,0,2]=4 53 B10R1.120 CC1(CC(=O)NCC1O)C Molport-046-140-361 [0,0,0,0,0,1|1,0,2]=4 54 B10R1.329 CC1(CC(=CC(=O)C1)N)C Molport-000-742-541 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.329 CC1(CC(=O)CC(=O)C1)C Molport-000-154-574 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.329 CC1(CC(=O)OC(=O)C1)C Molport-003-940-980 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.329 CC1(OC(=O)CC(=O)O1)C Molport-000-165-809 [0,0,0,0,0,1|1,0,1]=3 58 B10R1.329 CC1(OC(CC(=O)O1)[O-])C Molport-035-924-481 [0,0,0,0,0,1|1,0,2]=4 59 B10R1.329 CC1=CC(=O)CC(C1)(C)C Molport-000-701-433 [0,0,0,0,0,1|3,0,0]=4 60 B7R0.6 CC(=CCC(=O)O)C Molport-003-662-505 [1,0,1,0,0,0|1,0,1]=4 61 B7R1.2 CC1CCC(=O)O1 Molport-003-939-842 [2,0,0,0,0,0|1,0,1]=4 62 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.2 C[C@@H]1CCC(=O)O1 Molport-003-932-892 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.2 C[C@H]1CCC(=O)O1 Molport-028-949-582 [2,0,0,0,0,0|1,0,1]=4 66 B7R1.2 C[C@H]1COC(=O)O1 Molport-003-936-222 [2,0,0,0,0,0|1,0,1]=4 67 B7R1.2 O=C1COC(=O)C1 Molport-003-928-660 [2,0,0,0,0,0|1,0,1]=4 68 B7R1.2 OC1COC(=O)C1 Molport-003-915-369 [2,0,0,0,0,0|1,0,1]=4 69 B7R1.2 O[C@@H]1COC(=O)C1 Molport-001-793-714 [2,0,0,0,0,0|1,0,1]=4 70 B7R1.2 O[C@H]1COC(=O)C1 Molport-000-003-949 [2,0,0,0,0,0|1,0,1]=4 71 B9R1.22 OC[C@H]1OC(=O)C[C@@H]1O Molport-028-959-565 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.125 CCC1(CCC(=O)O1)C Molport-047-359-145 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.1361 CC1C(=O)OC(OC1=O)(C)C Molport-001-826-598 [0,1,0,0,0,1|1,0,1]=4 74 B11R1.489 CC1(OC(=O)CC1C(=O)O)C Molport-000-845-845 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.489 CC1(OC(=O)C[C@H]1C(=O)O)C Molport-004-769-386 [0,2,0,0,0,0|1,0,1]=4 76 B9R2.139 O=C1NCC2(O1)CC2 Molport-029-095-216 [1,0,0,1,0,0|0,0,2]=4 77 B9R1.10 CC1(COC(=O)OC1)C Molport-000-003-449 [1,0,0,0,0,1|1,0,1]=4 78 B9R1.10 CC1(OCC(=O)CO1)C Molport-000-882-246 [1,0,0,0,0,1|2,0,0]=4