0 B8R1.51 CC1(CC(=O)CO1)C Molport-039-241-837 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.51 CC1(CCC(=O)C1)C Molport-019-796-060 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.51 CC1(CCC(=O)N1)C Molport-001-781-508 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.51 CC1(CCC(C1)N)C Molport-027-845-073 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.51 CC1CCC(N1)(C)C Molport-039-240-946 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.51 CC1CNC(C1)(C)C Molport-028-956-652 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 CC1CN=C(O1)N Molport-046-415-786 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.2 CC1CNC(=O)O1 Molport-020-173-108 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.2 CC1COC(=O)O1 Molport-003-929-830 [1,0,0,0,0,0|1,0,1]=3 9 B7R1.2 CC1COC(O1)C Molport-006-115-302 [1,0,0,0,0,0|0,0,0]=1 10 B7R1.2 C[C@@H]1COC(=O)O1 Molport-001-758-105 [1,0,0,0,0,0|1,0,1]=3 11 B7R1.2 C[C@H]1CC[C@H](N1)C Molport-002-489-914 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.2 C[C@H]1CNC(=O)O1 Molport-047-786-354 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.14 CC1(CCCN1)C Molport-001-781-707 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.14 CC1(CCNC1)C Molport-006-703-025 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.36 CC1CC(NC1=O)(C)C Molport-019-879-644 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.125 CC1=NOC(C1)(C)CN Molport-029-997-702 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.125 CCP1(=S)CCC(O1)C Molport-002-543-597 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.133 CC1(OCC(O1)CO)C Molport-001-781-542 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.133 CC1(OC[C@H](O1)CO)C Molport-000-003-023 [0,1,0,0,0,0|0,0,0]=1 20 B9R1.138 CC1(CCC(C1=O)Br)C Molport-026-972-098 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.2 CC(=O)NC(C)CO Molport-008-508-252 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.2 CC(C)OC(=O)CBr Molport-001-791-822 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.2 CC(C)OC(=O)CN Molport-001-792-794 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.2 CN(C)CC(N)CO Molport-038-948-686 [0,0,1,0,0,0|3,0,0]=4 25 B7R0.6 CC(=O)CSC(C)C Molport-004-770-656 [0,0,1,0,0,0|0,1,2]=4 26 B7R0.6 CC(C)CNC(C)C Molport-005-312-048 [0,0,1,0,0,0|2,0,0]=3 27 B7R0.6 CC(C)NCC(=O)O Molport-002-472-582 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.6 CC(C)OCC(=O)O Molport-002-683-574 [0,0,1,0,0,0|1,0,1]=3 29 B7R0.6 CC(C)SCC(=O)O Molport-000-679-256 [0,0,1,0,0,0|1,1,1]=4 30 B7R0.8 CC(C)(C)CCCN Molport-014-088-020 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.8 CC(C)(C)OCCN Molport-028-960-410 [0,0,1,0,0,0|2,0,0]=3 32 B7R0.8 CC(C)(C)SCCN Molport-001-761-639 [0,0,1,0,0,0|2,1,0]=4 33 B7R0.8 CCCOS(=O)(=O)C Molport-006-113-757 [0,0,1,0,0,0|2,0,1]=4 34 B7R0.8 CCNCC(C)(C)C Molport-006-704-658 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.8 CCNCC(C)(C)N Molport-014-596-641 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.8 CCNCC(C)(C)N Molport-046-759-628 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.8 CCOCC(C)(C)N Molport-029-997-583 [0,0,1,0,0,0|3,0,0]=4 38 B7R0.8 CNCCC(C)(C)O Molport-016-631-094 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.9 CC(=O)CC(C)(C)O Molport-001-779-725 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.9 CN(C)CC(C)(C)C Molport-001-787-383 [0,0,1,0,0,0|3,0,0]=4 41 B7R0.9 CN(C)CC(C)(C)O Molport-008-545-476 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.11 CCNC(C)(C)CO Molport-006-008-668 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.11 CNC(C)(C)COC Molport-029-997-602 [0,0,1,0,0,0|3,0,0]=4 44 B7R0.11 COC(C)(C)CCN Molport-019-795-956 [0,0,1,0,0,0|2,0,0]=3 45 B7R1.16 CC1(CC(C1)N)C Molport-027-845-131 [0,0,0,0,1,0|2,0,0]=3 46 B7R1.16 CC1(CC(C1)O)C Molport-026-437-420 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.10 CC1(CCC(CC1)O)C Molport-000-142-097 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.10 CC1(OCC(=O)CO1)C Molport-000-882-246 [0,0,0,0,0,1|1,0,1]=3 49 B9R1.10 CC1(OCC(CO1)N)C Molport-028-744-301 [0,0,0,0,0,1|1,0,0]=2 50 B9R1.10 CC1(OCC(CO1)O)C Molport-022-469-515 [0,0,0,0,0,1|1,0,0]=2 51 B9R1.10 CC1CNC(CO1)(C)C Molport-003-786-131 [0,0,0,0,0,1|1,0,0]=2 52 B9R1.66 CC1(CC(=O)CCO1)C Molport-002-506-977 [0,0,0,0,0,1|2,0,1]=4 53 B9R1.66 CC1(CC(CCO1)N)C Molport-001-794-972 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.66 CC1(COCC(=O)N1)C Molport-008-154-341 [0,0,0,0,0,1|2,0,1]=4 55 B6R0.1 CCNC(C)CO Molport-005-958-905 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.2 CC(C)CC(C)N Molport-001-794-244 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.2 CC(C)NC(C)C Molport-001-759-225 [1,0,1,0,0,0|1,0,0]=3 58 B6R0.4 CC(C)CCCN Molport-004-308-245 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.4 CC(C)OCCBr Molport-002-465-553 [1,0,1,0,0,0|1,0,0]=3 60 B6R0.4 CC(C)OCCCl Molport-002-508-108 [1,0,1,0,0,0|1,0,0]=3 61 B6R0.4 CC(C)OCCN Molport-001-794-460 [1,0,1,0,0,0|1,0,0]=3 62 B6R0.4 CC(C)OCCO Molport-001-791-402 [1,0,1,0,0,0|0,0,0]=2 63 B6R0.4 CC(C)SCCCl Molport-008-154-301 [1,0,1,0,0,0|1,1,0]=4 64 B6R0.4 CCNCC(C)C Molport-005-312-382 [1,0,1,0,0,0|2,0,0]=4 65 B6R0.4 CN(C)CCCO Molport-001-768-954 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.5 C=CCC(C)(C)O Molport-003-910-811 [1,0,1,0,0,0|0,0,2]=4 67 B6R0.5 CC(C)(C)CCBr Molport-001-793-415 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.5 CC(C)(C)CCCl Molport-001-787-333 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.5 CC(C)(O)CCN Molport-000-001-258 [1,0,1,0,0,0|1,0,0]=3 70 B6R0.5 CNCC(C)(C)C Molport-008-643-550 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.5 CNCC(C)(C)O Molport-008-545-468 [1,0,1,0,0,0|1,0,0]=3 72 B6R0.8 C#CC(C)(C)OC Molport-001-785-517 [1,0,1,0,0,0|0,0,2]=4 73 B6R0.8 CCC(C)(C)CO Molport-006-113-057 [1,0,1,0,0,0|2,0,0]=4 74 B6R0.8 CCC(C)(C)NN Molport-029-078-069 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.8 COC(C)(C)CN Molport-001-794-920 [1,0,1,0,0,0|1,0,0]=3 76 B6R0.8 COC(C)(C)OC Molport-002-499-121 [1,0,1,0,0,0|0,0,0]=2 77 B6R1.2 CC1CCSC1 Molport-009-681-074 [2,0,0,0,0,0|1,1,0]=4 78 B6R1.2 C[C@H]1CCCN1 Molport-002-501-417 [2,0,0,0,0,0|2,0,0]=4 79 B6R1.2 NC1CCOC1 Molport-001-794-861 [2,0,0,0,0,0|2,0,0]=4 80 B6R1.2 N[C@H]1CCOC1 Molport-005-937-196 [2,0,0,0,0,0|2,0,0]=4 81 B6R1.2 O=C1OCCO1 Molport-003-925-305 [2,0,0,0,0,0|1,0,1]=4 82 B6R1.2 O=P1OCCO1 Molport-003-910-644 [2,0,0,0,0,0|2,0,0]=4 83 B6R1.2 OC1CCOC1 Molport-000-156-389 [2,0,0,0,0,0|2,0,0]=4 84 B8R0.19 CC(CCl)OC(C)CCl Molport-004-285-129 [0,1,1,0,0,0|1,0,0]=3 85 B8R0.23 CC(C)OC(C)C(=O)[O-] Molport-004-889-521 [0,1,1,0,0,0|0,0,2]=4 86 B8R0.24 CC(C)(C)OC(=O)CO Molport-012-088-102 [0,1,1,0,0,0|1,0,1]=4 87 B8R0.9 CC(C)OCC(O)CN Molport-000-001-152 [0,1,1,0,0,0|0,0,0]=2 88 B8R0.29 CC(=O)COC(C)(C)C Molport-011-883-548 [0,1,1,0,0,0|0,0,2]=4 89 B8R0.29 CC(C)(C)OCC(=O)O Molport-000-159-502 [0,1,1,0,0,0|1,0,1]=4 90 B8R0.29 CC(C)CNC(C)(C)C Molport-009-676-785 [0,1,1,0,0,0|2,0,0]=4 91 B8R0.29 CC(O)COC(C)(C)C Molport-001-793-126 [0,1,1,0,0,0|0,0,0]=2 92 B8R0.29 CN(C)CCC(C)(C)O Molport-025-426-041 [0,1,1,0,0,0|2,0,0]=4 93 B8R0.14 CCNC(=O)C(C)(C)O Molport-001-817-309 [0,1,1,0,0,0|2,0,0]=4 94 B8R0.21 CC(C)(C)COCCN Molport-004-903-186 [0,1,1,0,0,0|2,0,0]=4 95 B8R0.25 C#CC(C)(O)CCCC Molport-002-507-835 [0,1,1,0,0,0|1,0,1]=4 96 B8R0.25 CCCCC(C)(C)C=O Molport-022-365-531 [0,1,1,0,0,0|1,0,1]=4 97 B8R0.25 CCCNC(C)(C)C#N Molport-008-446-432 [0,1,1,0,0,0|2,0,0]=4 98 B8R0.25 COCCC(C)(O)CN Molport-012-508-122 [0,1,1,0,0,0|2,0,0]=4 99 B8R0.25 CSCCC(C)(O)CN Molport-021-170-575 [0,1,1,0,0,0|2,0,0]=4 100 B8R0.33 CC(C)(C)CC(C)(C)N Molport-002-784-175 [0,1,1,0,0,0|2,0,0]=4 101 B8R0.12 CCOC(C)(C)C(=O)O Molport-012-844-190 [0,1,1,0,0,0|2,0,0]=4 102 B8R0.31 COCC(C)(CN)OC Molport-027-801-653 [0,1,1,0,0,0|2,0,0]=4 103 B8R1.1 CC1CCC(O1)CO Molport-003-894-388 [1,1,0,0,0,0|1,0,0]=3 104 B8R1.1 O=C1OCC(O1)CCl Molport-001-792-286 [1,1,0,0,0,0|1,0,1]=4 105 B8R1.1 O=C1OCC(O1)CF Molport-029-701-717 [1,1,0,0,0,0|1,0,1]=4 106 B8R1.1 O=C1OCC(O1)CO Molport-001-791-545 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.19 CC1(CCCC1N)C Molport-044-755-182 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.19 CC1(CCCC1O)C Molport-006-758-082 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.19 CC1(NCCC1=O)C Molport-027-837-709 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.19 CC1(NCCC1O)C Molport-022-470-162 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.19 CC1CCNC1(C)C Molport-013-611-099 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.52 CC1(CCCC1)CN Molport-011-018-518 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.52 CC1(CCCN1)CO Molport-016-631-524 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.52 CC1(CCCO1)CN Molport-005-306-566 [1,1,0,0,0,0|1,0,0]=3 115 B8R1.52 CC1(OCCO1)CBr Molport-003-725-717 [1,1,0,0,0,0|0,0,0]=2 116 B8R1.52 CC1(OCCO1)CN Molport-008-506-620 [1,1,0,0,0,0|0,0,0]=2 117 B8R1.52 CCC1(SCCS1)C Molport-000-745-888 [1,1,0,0,0,0|0,2,0]=4 118 B8R1.53 CC1(CC(C1)CN)C Molport-028-935-946 [0,1,0,0,1,0|1,0,0]=3 119 B8R1.53 CC1(CC(C1)CO)C Molport-006-728-124 [0,1,0,0,1,0|1,0,0]=3 120 B8R1.53 CNC1CC(C1)(C)C Molport-035-385-915 [0,1,0,0,1,0|1,0,0]=3 121 B10R1.26 CC1(COC(CN1)CO)C Molport-029-242-415 [0,1,0,0,0,1|1,0,0]=3 122 B10R1.63 CC1CNC(C(=O)C1)(C)C Molport-002-134-249 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.63 CC1CNC(C(=O)C1)(C)C Molport-002-709-338 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.63 CC1CNC(C(C1)O)(C)C Molport-046-848-657 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.147 CC1OCC(NC1=O)(C)C Molport-008-825-323 [0,1,0,0,0,1|1,0,1]=4 126 B10R1.297 CC1(COC(CN1)(C)C)C Molport-008-466-533 [0,1,0,0,0,1|1,0,0]=3 127 B10R1.171 CCC1CNCC(N1)(C)C Molport-028-987-745 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.307 CC1(COCC(N1)(C)C)C Molport-001-799-572 [0,1,0,0,0,1|1,0,0]=3 129 B10R1.329 CC1(OC(=O)CC(O1)[O-])C Molport-035-924-481 [0,1,0,0,0,1|1,0,0]=3 130 B10R1.329 CC1=CC(=O)OC(O1)(C)C Molport-003-928-476 [0,1,0,0,0,1|0,0,2]=4 131 B10R1.329 CC1CC(=O)CC(C1)(C)C Molport-001-793-291 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.329 CC1CC(CC(C1)(C)C)N Molport-001-791-832 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.329 CC1CC(CC(C1)(C)C)O Molport-000-727-952 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.560 CC1(CC(C(O1)(C)C)N)C Molport-029-998-175 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.4 CC1CCCC(N1)C Molport-002-324-351 [0,0,1,1,0,0|2,0,0]=4 136 B8R1.4 CC1CNCC(C1)C Molport-001-791-757 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.4 CC1CNCC(O1)C Molport-001-794-167 [0,0,1,1,0,0|1,0,0]=3 138 B8R1.4 CC1COCC(N1)C Molport-008-463-683 [0,0,1,1,0,0|1,0,0]=3 139 B8R1.4 C[C@@H]1CCC[C@H](N1)C Molport-035-386-897 [0,0,1,1,0,0|2,0,0]=4 140 B8R1.4 C[C@H]1CCC[C@@H](N1)C Molport-044-192-491 [0,0,1,1,0,0|2,0,0]=4 141 B8R1.4 C[C@H]1CNC[C@H](N1)C Molport-001-768-837 [0,0,1,1,0,0|2,0,0]=4 142 B8R1.34 CC(C)OC1CNC1 Molport-021-783-116 [0,0,1,1,0,0|1,0,0]=3 143 B8R1.3 CC1CCC(CC1)N Molport-001-791-743 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.3 CC1CCC(CC1)N Molport-009-683-609 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.3 CC1CCC(CC1)O Molport-001-759-247 [0,0,1,1,0,0|1,0,0]=3 146 B8R1.3 CC1CNC(CN1)C Molport-000-141-378 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.3 NC1CCC(CC1)O Molport-000-151-000 [0,0,1,1,0,0|2,0,0]=4 148 B8R1.3 N[C@H]1CC[C@@H](CC1)O Molport-003-925-579 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.3 N[C@H]1CC[C@H](CC1)O Molport-001-769-269 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.3 OC1CCC(CC1)O Molport-001-762-237 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.35 CC(C)CNC1CC1 Molport-004-669-145 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.35 CC(C)NCC1CC1 Molport-005-312-489 [0,0,1,1,0,0|2,0,0]=4 153 B8R1.35 CC(C)OCC1CO1 Molport-001-792-079 [0,0,1,1,0,0|0,0,0]=2 154 B8R1.55 CC(C)(N)C1CCC1 Molport-039-239-856 [0,0,1,1,0,0|2,0,0]=4 155 B8R1.72 CC1(CCCNC1)O Molport-009-682-934 [0,0,1,1,0,0|2,0,0]=4 156 B8R1.72 CC1(CNCCO1)C Molport-005-312-548 [0,0,1,1,0,0|2,0,0]=4 157 B8R2.34 C1CC2CC1CN2 Molport-001-794-924 [1,0,0,1,0,0|2,0,0]=4 158 B10R2.534 CC1CNCC2(C1)CC2 Molport-044-375-812 [0,0,0,1,0,1|2,0,0]=4 159 B10R2.19 CC12CCC(C1)CC2N Molport-016-583-498 [0,1,0,1,0,0|2,0,0]=4 160 B6R0.3 CC(C)C(=O)CO Molport-022-912-562 [0,0,1,0,1,0|1,0,1]=4 161 B6R0.3 CC(C)C(O)CN Molport-000-001-216 [0,0,1,0,1,0|2,0,0]=4 162 B6R0.3 CC(C)[C@@H](C)CO Molport-027-839-182 [0,0,1,0,1,0|0,0,0]=2 163 B6R0.3 CC(C)[C@H](C)CO Molport-044-550-854 [0,0,1,0,1,0|0,0,0]=2 164 B6R0.3 CC(C)[C@H](N)CO Molport-023-282-273 [0,0,1,0,1,0|1,0,0]=3 165 B6R0.7 CC(N)C(C)(C)C Molport-001-793-422 [0,0,1,0,1,0|2,0,0]=4 166 B6R0.7 CC(O)C(C)(C)N Molport-023-112-801 [0,0,1,0,1,0|2,0,0]=4 167 B6R1.4 CC1CCC1N Molport-038-948-316 [1,0,0,0,1,0|2,0,0]=4 168 B6R1.4 CC1CCC1O Molport-026-437-424 [1,0,0,0,1,0|2,0,0]=4 169 B6R1.10 CC1(CCC1)N Molport-000-139-228 [1,0,0,0,1,0|2,0,0]=4 170 B6R1.10 CC1(CNC1)C Molport-044-548-606 [1,0,0,0,1,0|2,0,0]=4 171 B6R1.9 CC1(CC1N)C Molport-016-634-268 [0,0,0,0,2,0|1,0,0]=3 172 B8R0.28 CC(C)CNCC(C)C Molport-001-791-365 [0,0,1,0,0,1|2,0,0]=4 173 B8R0.28 CC(C)CNCC(C)O Molport-002-499-012 [0,0,1,0,0,1|1,0,0]=3 174 B8R0.28 CC(C)C[AlH4]CC(C)C Molport-003-927-433 [0,0,1,0,0,1|2,0,0]=4 175 B8R0.28 CC(O)CNCC(C)O Molport-001-789-470 [0,0,1,0,0,1|2,0,0]=4