0 B5R0.1 CCC=C(C)C Molport-003-938-589 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.11 CCC(C)(C)CCN Molport-044-198-614 [0,1,0,0,0,0|2,0,0]=3 2 B7R0.11 CCC(C)(C)CCO Molport-002-495-489 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.14 CC1(CCCC1)N Molport-009-058-200 [0,0,0,1,0,0|3,0,0]=4 4 B7R1.14 CC1(CCCC1)N Molport-015-112-683 [0,0,0,1,0,0|3,0,0]=4 5 B7R1.14 CC1(CCCC1)O Molport-003-958-725 [0,0,0,1,0,0|3,0,0]=4 6 B7R1.14 CC1(CCCN1)C Molport-001-781-707 [0,0,0,1,0,0|3,0,0]=4 7 B7R1.14 CC1(CCCN1)C Molport-002-499-274 [0,0,0,1,0,0|3,0,0]=4 8 B7R1.14 CC1(CCNC1)C Molport-006-703-025 [0,0,0,1,0,0|2,0,0]=3 9 B7R1.14 CC1(CCNC1)C Molport-008-154-356 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.14 CC1(CCNC1)F Molport-023-198-447 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.14 CC1(CCNC1)F Molport-027-844-928 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.14 CC1(CCNC1)N Molport-023-314-198 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.14 CC1(CCNC1)O Molport-009-682-936 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.14 CC1(CCNC1)O Molport-020-393-112 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.14 CC1(CCOC1)N Molport-021-996-114 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.14 CC1(CCOC1)N Molport-023-314-220 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.14 CC1(CCOC1)O Molport-011-132-204 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.14 C[C@@]1(CCNC1)F Molport-047-412-483 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.14 C[C@@]1(CCNC1)O Molport-035-683-035 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.14 C[C@@]1(CCNC1)O Molport-035-690-349 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.14 C[C@]1(CCNC1)F Molport-047-412-497 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.14 C[C@]1(CCNC1)O Molport-035-683-034 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.14 C[C@]1(CCNC1)O Molport-035-690-348 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.21 CC1(CO1)CCO Molport-051-771-154 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.21 CCCC1(CO1)C Molport-019-996-425 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.23 CC1(OC1CO)C Molport-028-750-932 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.23 CC1(O[C@@H]1CO)C Molport-047-639-521 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.23 CC1(O[C@H]1CO)C Molport-047-641-059 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.23 CCC1OC1(C)C Molport-036-181-189 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.26 CC(C)(C)C1CO1 Molport-002-487-439 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.26 CC(C)(C)[C@@H]1CO1 Molport-031-339-455 [0,0,0,1,0,0|1,0,0]=2 32 B7R1.26 CC(C)(C)[C@H]1CO1 Molport-031-339-562 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.26 CC(C)(O)C1CO1 Molport-045-999-375 [0,0,0,1,0,0|2,0,0]=3 34 B6R0.4 CC(=CCCN)C Molport-012-948-505 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.4 CC(=CCCO)C Molport-003-929-857 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.4 CCCC=C(C)C Molport-003-910-491 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.12 CC(C)C(C)(C)CCN Molport-023-925-006 [0,2,0,0,0,0|2,0,0]=4 38 B8R0.13 C[C@](O)(CO)[C@H](O)CO Molport-039-063-521 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.30 CC(C)(CCN)CC=C Molport-027-631-970 [0,2,0,0,0,0|2,0,0]=4 40 B8R0.30 CC(C)(CCO)CCO Molport-020-172-993 [0,2,0,0,0,0|1,0,0]=3 41 B6R1.2 CC1CCNC1 Molport-000-004-938 [1,0,0,1,0,0|2,0,0]=4 42 B6R1.2 CC1CCNC1 Molport-002-344-429 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.2 CC1CCOC1 Molport-003-003-662 [1,0,0,1,0,0|1,0,0]=3 44 B6R1.2 CC1COCO1 Molport-003-933-210 [1,0,0,1,0,0|2,0,0]=4 45 B6R1.2 C[C@@H]1CCNC1 Molport-002-499-367 [1,0,0,1,0,0|2,0,0]=4 46 B6R1.2 C[C@@H]1CCNC1 Molport-028-720-611 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.2 C[C@H]1CCNC1 Molport-002-501-573 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 C[C@H]1CCNC1 Molport-028-720-612 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.2 C[C@H]1CCNC1 Molport-046-158-553 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.2 OC1CCOC1 Molport-000-156-389 [1,0,0,1,0,0|2,0,0]=4 51 B6R1.2 O[C@@H]1CCOC1 Molport-001-768-431 [1,0,0,1,0,0|2,0,0]=4 52 B6R1.2 O[C@H]1CCOC1 Molport-001-768-432 [1,0,0,1,0,0|2,0,0]=4 53 B6R1.3 OCCC1CO1 Molport-044-195-278 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.3 OCC[C@@H]1CO1 Molport-046-857-910 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.3 OCC[C@H]1CO1 Molport-046-858-861 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.5 CN1CC(C1)O Molport-011-121-976 [1,0,0,1,0,0|0,0,1]=3 57 B6R1.5 CN1CC(C1)O Molport-020-393-071 [1,0,0,1,0,0|0,0,1]=3 58 B6R1.8 CC1OC1CO Molport-028-747-418 [1,0,0,1,0,0|2,0,0]=4 59 B6R1.11 CC(=C)C1CO1 Molport-028-746-896 [1,0,0,1,0,0|1,0,1]=4 60 B6R1.11 CC(=O)C1CO1 Molport-001-756-793 [1,0,0,1,0,0|2,0,0]=4 61 B6R1.11 CC(C)C1CO1 Molport-006-113-301 [1,0,0,1,0,0|1,0,0]=3 62 B6R1.11 CC(C)[C@@H]1CO1 Molport-046-290-437 [1,0,0,1,0,0|1,0,0]=3 63 B6R1.11 CC(O)C1CO1 Molport-022-878-793 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.7 CC1(CO1)CO Molport-003-891-783 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.7 CCC1(CO1)C Molport-006-125-330 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.7 C[C@@]1(CO1)CO Molport-038-387-762 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.7 C[C@]1(CO1)CO Molport-046-686-601 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.27 COCC1OC1(C)C Molport-047-348-571 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.51 CC1(CC(CN1)O)C Molport-029-095-226 [0,1,0,1,0,0|1,0,0]=3 70 B8R1.51 CC1(CC(CN1)O)C Molport-038-084-244 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.51 CC1(CC(CO1)N)C Molport-028-912-497 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.51 CC1(CC(CO1)N)C Molport-044-729-955 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.51 CC1(CC(CO1)O)C Molport-042-675-646 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.51 CC1(CCC(C1)N)C Molport-027-633-176 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.51 CC1(CCC(C1)N)C Molport-027-845-073 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.51 CC1(CCC(C1)O)C Molport-023-611-486 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.51 CC1(CCC(C1)O)N Molport-051-574-389 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.51 CC1(CCC(C1)O)N Molport-051-737-914 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.51 CC1(COC(=O)C1)C Molport-028-948-920 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.51 CC1(C[C@@H](CN1)O)C Molport-047-977-500 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.51 CC1CC(CN1)(C)C Molport-039-241-863 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.51 CC1CNC(C1)(C)C Molport-019-879-636 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.51 CC1CNC(C1)(C)C Molport-028-956-652 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.51 C[C@@H]1CNC(C1)(C)C Molport-046-859-387 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.51 C[C@@H]1CNC(C1)(C)C Molport-047-482-355 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.51 C[C@@]1(CCC(C1)O)N Molport-051-737-912 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.51 C[C@@]1(CC[C@@H](C1)O)N Molport-051-737-910 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.51 C[C@@]1(CC[C@@H](C1)O)N Molport-051-737-911 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.51 C[C@@]1(CC[C@H](C1)O)N Molport-051-737-908 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.51 C[C@@]1(CC[C@H](C1)O)N Molport-051-737-909 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.51 C[C@H]1CC(CN1)(C)C Molport-047-638-329 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.56 CC(C)(O)CC1CO1 Molport-044-432-423 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.72 CC1(CCC=CC1)C Molport-035-681-340 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.72 CC1(CCCCC1)C Molport-003-925-888 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.72 CC1(CCNCC1)C Molport-002-499-323 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.72 CC1(CCNCC1)C Molport-003-803-296 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.72 CC1(CCOCO1)C Molport-001-787-492 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.19 CC1(CCCC1N)C Molport-023-152-875 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.19 CC1(CCCC1N)C Molport-044-755-182 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.19 CC1(CCCC1O)C Molport-006-758-082 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.19 CC1(CCC[C@@H]1N)C Molport-046-159-836 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.19 CC1(CCC[C@@H]1N)C Molport-047-637-038 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.19 CC1(CCC[C@@H]1O)C Molport-047-412-707 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.19 CC1(CCC[C@H]1N)C Molport-047-639-208 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.19 CC1(CCC[C@H]1O)C Molport-047-412-761 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.19 CC1(CCOC1=O)C Molport-009-198-442 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.19 CC1(CNCC1O)C Molport-035-386-157 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.19 CC1(CNCC1O)C Molport-035-386-158 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.19 CC1(CNC[C@@H]1O)C Molport-046-162-313 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.19 CC1(CNC[C@@H]1O)C Molport-047-633-916 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.19 CC1(CNC[C@H]1O)C Molport-046-703-172 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.19 CC1(COCC1N)C Molport-039-240-838 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.19 CC1(COC[C@H]1N)C Molport-051-903-565 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.19 CC1NCCC1(C)C Molport-013-611-317 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.19 CC1NCCC1(C)C Molport-045-971-956 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.19 CC1OCCC1(C)N Molport-027-845-602 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.19 C[C@H]1COC[C@@]1(C)O Molport-039-332-744 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.48 CC1(CCC1CO)C Molport-037-962-253 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.52 CC1(CCCC1)CN Molport-011-018-518 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.52 CC1(CCCC1)CN Molport-016-636-731 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.52 CC1(CCCC1)CO Molport-023-313-901 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.52 CC1(CCNC1)CF Molport-039-332-636 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.52 CC1(CCNC1)CN Molport-020-393-313 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.52 CC1(CCNC1)CN Molport-035-789-371 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.52 CC1(CCNC1)CO Molport-021-996-246 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.52 CC1(CCNC1)CO Molport-039-332-568 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.52 CC1(CCOC1)CO Molport-027-761-503 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.52 CCC1(CCCC1)C Molport-035-681-551 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.52 CCC1(CCNC1)C Molport-013-611-187 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.52 CCC1(CCNC1)C Molport-046-868-883 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.52 CCC1(CCOC1)O Molport-011-132-198 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.52 CNC1(CCCC1)C Molport-035-385-902 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.52 COC1(CCNC1)C Molport-029-657-708 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.52 COC1(CCNC1)C Molport-035-789-615 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.52 CO[C@@]1(CCNC1)C Molport-047-934-218 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.52 CO[C@@]1(CCNC1)C Molport-047-934-219 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.52 CO[C@]1(CCNC1)C Molport-047-934-220 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.52 CO[C@]1(CCNC1)C Molport-047-934-221 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.52 C[C@@]1(CCNC1)CO Molport-046-159-363 [0,1,0,1,0,0|2,0,0]=4 141 B8R1.52 C[C@@]1(CCNC1)CO Molport-049-242-360 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.52 C[C@@]1(CCOC1)CO Molport-044-652-201 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.52 C[C@]1(CCNC1)CO Molport-047-945-459 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.52 C[C@]1(CCNC1)CO Molport-051-574-527 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.52 C[C@]1(CCOC1)CO Molport-044-652-109 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.52 NC1(CCOC1)CO Molport-011-133-307 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.52 NCC1(CCOC1)O Molport-014-409-424 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.52 NCC1(CCOC1)O Molport-035-789-486 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.52 N[C@]1(CCOC1)CO Molport-046-160-363 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.52 OCC1(CCOC1)O Molport-030-859-013 [0,1,0,1,0,0|2,0,0]=4 151 B8R2.2 CC12CC1CNC2 Molport-045-901-029 [0,0,0,2,0,0|2,0,0]=4 152 B8R2.2 C[C@@]12C[C@@H]1CNC2 Molport-051-643-889 [0,0,0,2,0,0|2,0,0]=4 153 B8R2.2 C[C@]12C[C@H]1CNC2 Molport-044-770-077 [0,0,0,2,0,0|2,0,0]=4 154 B8R2.2 N[C@@]12C[C@@H]1COC2 Molport-051-903-483 [0,0,0,2,0,0|2,0,0]=4 155 B8R2.2 N[C@]12C[C@H]1COC2 Molport-044-422-437 [0,0,0,2,0,0|2,0,0]=4 156 B8R2.7 CC12CC(C1)NC2 Molport-046-202-803 [0,0,0,2,0,0|2,0,0]=4 157 B8R2.7 NC12CC(C1)OC2 Molport-046-674-140 [0,0,0,2,0,0|2,0,0]=4 158 B8R2.7 NC12CC(C1)OC2 Molport-046-675-705 [0,0,0,2,0,0|2,0,0]=4 159 B8R2.55 C1CC12CCNC2 Molport-022-146-567 [0,0,0,2,0,0|2,0,0]=4 160 B8R2.55 C1CC12CCNC2 Molport-023-333-016 [0,0,0,2,0,0|2,0,0]=4 161 B8R2.55 C1CC12CNOC2 Molport-044-375-785 [0,0,0,2,0,0|2,0,0]=4 162 B8R2.55 C1OC12CCOC2 Molport-020-397-783 [0,0,0,2,0,0|2,0,0]=4 163 B8R2.43 CC12CC(C1)(C2)N Molport-044-182-063 [0,0,0,2,0,0|2,0,0]=4 164 B8R2.43 CC12CC(C1)(C2)O Molport-047-636-674 [0,0,0,2,0,0|1,0,0]=3 165 B8R2.43 NC12CC(C1)(C2)O Molport-044-559-114 [0,0,0,2,0,0|2,0,0]=4 166 B8R2.43 NC12CC(C1)(C2)O Molport-046-850-179 [0,0,0,2,0,0|2,0,0]=4 167 B8R2.43 OC12CC(C1)(C2)O Molport-046-682-076 [0,0,0,2,0,0|2,0,0]=4 168 B8R2.53 NC1CC2(C1)CC2 Molport-026-550-267 [0,0,0,2,0,0|2,0,0]=4 169 B8R2.53 NC1CC2(C1)CC2 Molport-039-240-930 [0,0,0,2,0,0|2,0,0]=4 170 B8R2.53 OC1CC2(C1)CC2 Molport-026-437-415 [0,0,0,2,0,0|1,0,0]=3 171 B8R2.20 NCC1CC12CC2 Molport-022-146-566 [0,0,0,2,0,0|2,0,0]=4 172 B8R2.20 OCC1CC12CC2 Molport-029-000-942 [0,0,0,2,0,0|1,0,0]=3 173 B8R2.28 CC12CC1(C2)CN Molport-044-195-876 [0,0,0,2,0,0|2,0,0]=4