0 B5R0.1 CCC=C(C)C Molport-003-938-589 [1,0,0,0,0,0|2,0,0]=3 1 B7R1.4 CC1=CCCC1=O Molport-003-661-909 [0,0,0,1,0,0|2,0,0]=3 2 B7R1.4 CC1CCCC1=O Molport-001-793-641 [0,0,0,1,0,0|2,0,1]=4 3 B7R1.4 CC1CCNC1=O Molport-006-114-492 [0,0,0,1,0,0|2,0,1]=4 4 B7R1.4 CC1CCOC1=O Molport-003-926-035 [0,0,0,1,0,0|1,0,1]=3 5 B7R1.4 CC1NCCC1=O Molport-038-083-438 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.4 CC1OCCC1=O Molport-000-145-970 [0,0,0,1,0,0|1,0,1]=3 7 B7R1.4 C[C@@H]1CCNC1=O Molport-035-682-382 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.4 C[C@@H]1OCCC1=O Molport-019-995-742 [0,0,0,1,0,0|1,0,1]=3 9 B7R1.4 C[C@H]1CCNC1=O Molport-035-682-385 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.4 NC1CCCC1=O Molport-030-004-546 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.4 NC1CCNC1=O Molport-006-013-052 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.4 NC1CCNC1=O Molport-006-703-014 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.4 NC1CCOC1=O Molport-001-768-821 [0,0,0,1,0,0|1,0,1]=3 14 B7R1.4 NC1CCOC1=O Molport-001-787-398 [0,0,0,1,0,0|1,0,1]=3 15 B7R1.4 NC1CCOC1=O Molport-019-989-908 [0,0,0,1,0,0|1,0,1]=3 16 B7R1.4 N[C@@H]1CCNC1=O Molport-004-802-108 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.4 N[C@@H]1CCNC1=O Molport-023-334-029 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.4 N[C@@H]1CCOC1=O Molport-001-793-077 [0,0,0,1,0,0|1,0,1]=3 19 B7R1.4 N[C@@H]1CCOC1=O Molport-003-933-737 [0,0,0,1,0,0|1,0,1]=3 20 B7R1.4 N[C@@H]1CCOC1=O Molport-047-593-259 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.4 N[C@@H]1CCOC1=O Molport-051-697-755 [0,0,0,1,0,0|1,0,1]=3 22 B7R1.4 N[C@H]1CCNC1=O Molport-020-014-697 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.4 N[C@H]1CCNC1=O Molport-027-835-345 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.4 N[C@H]1CCOC1=O Molport-000-882-259 [0,0,0,1,0,0|1,0,1]=3 25 B7R1.4 N[C@H]1CCOC1=O Molport-003-925-555 [0,0,0,1,0,0|1,0,1]=3 26 B7R1.4 O=C1CCOC1=O Molport-051-739-326 [0,0,0,1,0,0|0,0,0]=1 27 B7R1.4 OC1CCCC1=C Molport-046-837-811 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.4 OC1CCCC1=O Molport-022-878-815 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.4 OC1CCNC1=O Molport-006-701-049 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.4 OC1CCOC1=O Molport-001-791-380 [0,0,0,1,0,0|0,0,2]=3 31 B7R1.4 O[C@@H]1CCNC1=O Molport-009-199-892 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.4 O[C@@H]1CCOC1=O Molport-001-794-344 [0,0,0,1,0,0|0,0,2]=3 33 B7R1.4 O[C@H]1CCNC1=O Molport-002-499-339 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.4 O[C@H]1CCOC1=O Molport-001-794-343 [0,0,0,1,0,0|0,0,2]=3 35 B7R1.19 CC1(CO1)C(=O)O Molport-022-878-817 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.22 COC(=O)C1CO1 Molport-009-678-711 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.22 COC(=O)[C@@H]1CO1 Molport-003-933-969 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.22 COC(=O)[C@H]1CO1 Molport-003-933-967 [0,0,0,1,0,0|2,0,1]=4 39 B6R0.4 CC(=CCCN)C Molport-012-948-505 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.4 CC(=CCCO)C Molport-003-929-857 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,1,0,0,0,0|2,0,0]=4 42 B6R1.2 O=C1CCCC1 Molport-000-871-991 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.11 OC(=O)C1CO1 Molport-005-942-312 [1,0,0,1,0,0|1,0,1]=4 44 B6R1.11 OC(=O)[C@H]1CO1 Molport-021-784-630 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.1 CCC1=CC(=O)CC1 Molport-022-056-534 [0,0,0,1,0,1|2,0,0]=4 46 B8R1.1 CCC1COC(=O)C1 Molport-037-962-240 [0,0,0,1,0,1|1,0,1]=4 47 B8R1.1 CCC1COC(=O)O1 Molport-002-502-009 [0,0,0,1,0,1|1,0,1]=4 48 B8R1.4 CC1CCOC(=O)O1 Molport-046-419-204 [0,0,0,1,0,1|1,0,1]=4 49 B8R1.4 O=C1CCCC(=O)C1 Molport-001-766-691 [0,0,0,1,0,1|1,0,0]=3 50 B8R1.4 OC1CCCC(=O)C1 Molport-025-703-325 [0,0,0,1,0,1|1,0,1]=4 51 B8R1.4 O[C@H]1CCCC(=O)C1 Molport-047-932-294 [0,0,0,1,0,1|1,0,1]=4 52 B8R1.18 CC1CC(=O)C(O1)C Molport-006-133-120 [0,0,0,1,0,1|1,0,1]=4 53 B8R1.18 CC1CC(=O)C=C1C Molport-003-985-986 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.18 CC1CC(=O)NC1=O Molport-009-340-918 [0,0,0,1,0,1|1,0,0]=3 55 B8R1.18 CC1CC(=O)OC1=O Molport-001-792-084 [0,0,0,1,0,1|1,0,0]=3 56 B8R1.18 CC1CC(=O)OC1C Molport-028-750-286 [0,0,0,1,0,1|1,0,1]=4 57 B8R1.18 CC1OC(=C)CC1=O Molport-051-911-897 [0,0,0,1,0,1|1,0,0]=3 58 B8R1.18 CC1OC(=O)OC1=O Molport-053-104-769 [0,0,0,1,0,1|0,0,0]=2 59 B8R1.18 CC1OC(=O)OC1C Molport-039-014-120 [0,0,0,1,0,1|1,0,1]=4 60 B8R1.18 CN1CC(=O)CC1=O Molport-022-470-242 [0,0,0,1,0,1|2,0,0]=4 61 B8R1.18 C[C@@H]1CC(=O)NC1=O Molport-051-763-291 [0,0,0,1,0,1|1,0,0]=3 62 B8R1.18 C[C@@H]1OC(=O)OC1=O Molport-051-747-776 [0,0,0,1,0,1|0,0,0]=2 63 B8R1.18 C[C@H]1CC(=O)OC1=O Molport-003-801-082 [0,0,0,1,0,1|1,0,0]=3 64 B8R1.18 NC1CC(=O)OC1=O Molport-009-684-577 [0,0,0,1,0,1|2,0,0]=4 65 B8R1.18 N[C@@H]1CC(=O)OC1=O Molport-006-709-497 [0,0,0,1,0,1|2,0,0]=4 66 B8R1.18 N[C@H]1CC(=O)OC1=O Molport-044-556-591 [0,0,0,1,0,1|2,0,0]=4 67 B8R1.5 OC1CCCCC1=O Molport-001-779-872 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.7 OC(=O)C1CCCN1 Molport-000-517-627 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.7 OC(=O)C1CCCN1 Molport-027-837-861 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.7 OC(=O)C1CCOC1 Molport-001-791-800 [0,1,0,1,0,0|0,0,2]=4 71 B8R1.7 OC(=O)[C@@H]1CCCN1 Molport-001-757-108 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.7 OC(=O)[C@@H]1CCCN1 Molport-003-939-819 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.7 OC(=O)[C@@H]1CCCN1 Molport-052-040-920 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.7 OC(=O)[C@@H]1CCOC1 Molport-002-499-361 [0,1,0,1,0,0|0,0,2]=4 75 B8R1.7 OC(=O)[C@H]1CCCN1 Molport-001-793-119 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.7 OC(=O)[C@H]1CCOC1 Molport-002-501-552 [0,1,0,1,0,0|0,0,2]=4 77 B8R1.19 CC1(CCCC1=O)O Molport-051-771-246 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.19 CC1(CCNC1=O)O Molport-049-212-573 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.19 CC1(CCOC1=O)C Molport-009-198-442 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.19 CC1(CCOC1=O)N Molport-038-949-250 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.19 CC1(OCCC1=O)C Molport-006-126-809 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.11 CCC1CCOC1=O Molport-028-747-647 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.11 CCC1COCC1=O Molport-021-996-234 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.11 CN[C@H]1CCOC1=O Molport-047-770-430 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.11 COC1CCCC1=O Molport-019-954-845 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.11 COC1CCOC1=O Molport-051-487-639 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.11 CO[C@@H]1CCCC1=O Molport-051-778-754 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.11 CO[C@H]1CCCC1=O Molport-051-779-930 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.11 NCC1CCOC1=O Molport-038-949-533 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.11 O/N=C\1/CCOC1=O Molport-001-790-241 [0,1,0,1,0,0|0,0,1]=3 91 B8R1.11 OCC1=CCCC1=O Molport-019-905-319 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.11 OCC1CCCC1=O Molport-035-683-987 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.50 CC1=C(C(=O)CC1)C Molport-003-931-571 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.50 CC1=C(C(=O)CC1)O Molport-003-987-222 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.50 CC1=C(CCC1=O)O Molport-005-939-471 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.50 CC1C(=O)CCC1=O Molport-001-757-059 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.50 CC1CCC(=O)C1=O Molport-001-766-677 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.50 CC1CCC(=O)C1=O Molport-027-834-657 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.50 CC1COC(=O)C1N Molport-046-831-474 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.50 CC1COC(=O)C1O Molport-047-636-788 [0,1,0,1,0,0|0,0,2]=4 101 B8R1.50 CC1OCC(=O)C1C Molport-042-621-527 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.50 CN1C(CCC1=O)O Molport-006-394-484 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.50 CN1CCC(=C)C1=O Molport-044-560-206 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.50 CN1CCC(C1=O)O Molport-021-049-842 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.50 CN1CC[C@H](C1=O)O Molport-046-859-928 [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|1,0,0]=3 107 B8R1.50 NC1CCN(C1=O)O Molport-006-709-461 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.50 N[C@@H]1CCN(C1=O)O Molport-003-941-595 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.50 N[C@H]1CCN(C1=O)O Molport-003-983-583 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O Molport-003-847-092 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.50 O[C@H]1COC(=O)[C@@H]1O Molport-035-784-237 [0,1,0,1,0,0|0,0,2]=4 112 B8R1.50 O[C@H]1COC(=O)[C@H]1O Molport-047-586-322 [0,1,0,1,0,0|0,0,2]=4 113 B8R2.38 O=C1CCC2C1O2 Molport-046-156-675 [0,0,0,2,0,0|1,0,1]=4