0 B8R0.9 C#CC(N)CCC(=O)O Molport-046-071-597 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.9 C=CC(N)CCC(=O)O Molport-039-240-479 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.9 CCS(=O)CCC(=O)O Molport-006-066-897 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 CNC(=O)CCC(=O)O Molport-000-385-098 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 COC(=O)CCC(=O)O Molport-000-141-742 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 C=CCCC(N)CC Molport-044-184-648 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 C#CCNCC(=O)O Molport-038-942-518 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 C#CCOCC(=O)O Molport-007-991-490 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 C=CCNCC(=C)Br Molport-001-656-221 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 C=CCNCC(=C)Br Molport-029-906-634 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 C=CCSCC(=O)O Molport-000-150-911 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 CC(=O)CCCC#N Molport-004-968-104 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CCCCCC(=O)C Molport-001-759-309 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CCCOCC(=O)O Molport-009-200-571 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CNCCCC(=O)O Molport-003-928-816 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 CSCCCC(=O)O Molport-011-008-648 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 N#CCCCC(=O)O Molport-020-180-062 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 NCCCCC(=O)O Molport-003-666-360 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 NCCSCC(=O)O Molport-023-137-056 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 NOCCCC(=O)O Molport-027-844-893 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 O=C(O)CCCCS Molport-013-659-967 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.6 CC(C)NCC(=O)O Molport-002-472-582 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.6 CC(C)OCC(=O)O Molport-002-683-574 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.6 CC(C)SCC(=O)O Molport-000-679-256 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.6 N=C(N)SCC(=O)O Molport-000-699-274 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.6 N=C(N)SCC(=O)O Molport-035-874-358 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.6 NC(=O)CCC(=O)N Molport-000-656-261 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.6 NC(=O)NCC(=O)O Molport-000-894-377 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 O=[13C](O)CC[13C](=O)O Molport-003-934-537 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.7 CC(=O)C(C)CCC(=O)O Molport-002-131-365 [0,1,0,0,0,0|1,0,1]=3 31 B9R0.7 CC(=O)C(C)CCC(=O)[O-] Molport-051-541-961 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.7 CC(NCC(=O)O)C(=O)O Molport-003-355-448 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O Molport-046-925-996 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.7 NC(=O)CC[C@H]([15NH2])C(=O)O Molport-003-934-621 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.7 NC(CCC(=O)O)C(=O)O Molport-002-130-089 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.7 N[C@@H](CCC(=O)O)C(O)O Molport-047-739-939 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.7 N[C@@H](CCC(=O)[15NH2])C(=O)O Molport-003-934-620 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O Molport-001-795-061 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.7 O=C(O)CCC(=O)C(=O)O Molport-002-322-422 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.7 O=C(O)CCC(=O)C(=O)O Molport-003-941-878 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Molport-046-683-545 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] Molport-051-786-212 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O Molport-042-682-386 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.48 CCCC(N)CCC(=O)O Molport-046-681-925 [0,1,0,0,0,0|0,0,2]=3 45 B9R1.35 CN1C=NC(C1)C(=O)O Molport-023-314-200 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O Molport-023-219-522 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.35 NC1CNC(C1)C(=O)O Molport-028-600-683 [0,0,0,1,0,0|1,0,1]=3 48 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O Molport-003-793-979 [0,0,0,1,0,0|0,0,2]=3 49 B9R1.69 CC1SCC(=O)OC1=O Molport-002-874-201 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.69 N[C@H]1CCC(=O)NC1=O Molport-039-141-860 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.127 CCC1(CC1C(=O)O)C Molport-013-638-378 [0,0,0,1,0,0|1,0,2]=4 52 B9R1.147 CC1(CC1)CCC(=O)O Molport-003-178-985 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.147 CC1(N=N1)CCC(=O)O Molport-038-950-611 [0,0,0,1,0,0|3,0,0]=4 54 B7R0.2 CC(CN)CC(=O)O Molport-023-231-681 [0,0,0,0,1,0|2,0,1]=4 55 B7R0.2 CCC(N)CC(=O)O Molport-006-709-500 [0,0,0,0,1,0|0,0,2]=3 56 B7R0.2 CC[C@H](N)CC(=O)O Molport-042-923-473 [0,0,0,0,1,0|0,0,2]=3 57 B7R0.2 CNC(C)CC(=O)O Molport-009-674-761 [0,0,0,0,1,0|2,0,1]=4 58 B7R0.2 NC[C@H](O)CC(=O)O Molport-003-936-295 [0,0,0,0,1,0|2,0,1]=4 59 B6R0.4 C=CCNC(=O)C Molport-006-112-291 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 C=CCNC(=O)N Molport-001-495-582 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 C=CCOC(=O)Cl Molport-001-768-862 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 CC(=O)CCCCl Molport-001-759-283 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CC(=O)NCCN Molport-001-791-776 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CC(=O)SCCN Molport-044-566-675 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=O)Cl Molport-001-789-178 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CNCCC(=O)O Molport-009-286-472 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 COCCC(=O)O Molport-001-794-152 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 NC(=O)CCCCl Molport-000-860-846 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 NC/C=C/C(=O)O Molport-003-959-679 [2,0,0,0,0,0|0,0,2]=4 70 B6R0.4 NCCCC(=O)Cl Molport-035-707-176 [2,0,0,0,0,0|1,0,0]=3 71 B6R0.4 NCCCC(=O)N Molport-005-312-735 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.4 O=C(Cl)CCCCl Molport-001-768-913 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 O=C([O-])CCCCl Molport-047-739-949 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.6 C=CCNCC=C Molport-001-779-723 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.6 C=CCSCC=C Molport-003-665-654 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 O=CCCCC=O Molport-001-781-859 [2,0,0,0,0,0|1,0,0]=3 77 B8R0.7 C/C=C/CCCC(=O)O Molport-022-365-475 [1,1,0,0,0,0|0,0,0]=2 78 B8R0.7 CC(=O)CCCOC=O Molport-002-704-977 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.7 CCCCCCC(=O)O Molport-001-780-041 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.7 CCCNCCC(=O)O Molport-002-472-204 [1,1,0,0,0,0|0,0,2]=4 81 B8R0.7 CCCNCCC(=O)O Molport-019-922-357 [1,1,0,0,0,0|0,0,2]=4 82 B8R0.7 COCCOCC(=O)O Molport-001-791-765 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.7 COCCOCC(=O)O Molport-053-122-888 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.7 N#CCCNCC(=O)O Molport-001-793-057 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.7 NOCCCCC(=O)O Molport-052-006-562 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.7 O=C(O)CCCCCBr Molport-000-900-562 [1,1,0,0,0,0|0,0,2]=4 87 B8R0.7 O=C(O)CCOCCS Molport-047-918-915 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.28 CN(C)CCCC(=O)O Molport-001-792-192 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.28 CN(C)CCCC(=O)O Molport-003-928-817 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.28 N=C(N)SCCC(=O)O Molport-001-786-569 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.28 NC(=O)CCCC(=O)N Molport-028-749-554 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.28 O=C(O)COCC(=O)O Molport-003-926-440 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.28 O=C(O)CSCC(=O)O Molport-001-757-123 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.23 CC(C)C(O)CC(=O)O Molport-008-643-640 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.23 CC(C)CC(F)C(=O)O Molport-019-991-178 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O Molport-003-934-624 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(CC(F)F)C(=O)O Molport-015-163-790 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.23 NC(CC(=O)O)C(F)F Molport-037-973-968 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.23 NC(CC(F)F)C(=O)O Molport-016-635-649 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O Molport-003-934-579 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.29 CC(C)(N)CCC(=O)O Molport-016-634-725 [1,1,0,0,0,0|0,0,1]=3 102 B8R0.16 NCC(CO)CC(=O)O Molport-028-956-949 [0,1,0,0,1,0|1,0,1]=4 103 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O Molport-003-844-403 [0,1,0,0,0,1|2,0,0]=4 104 B10R0.98 NC(CCCC(=O)O)C(=O)O Molport-035-944-984 [0,1,0,0,0,1|1,0,0]=3 105 B10R0.98 NC(CSCC(=O)O)C(=O)O Molport-006-013-457 [0,1,0,0,0,1|1,0,0]=3 106 B10R0.98 NC(CSCC(=O)O)C(=O)O Molport-019-997-772 [0,1,0,0,0,1|1,0,0]=3 107 B10R0.98 O=C(O)CCCC(O)C(=O)O Molport-023-333-797 [0,1,0,0,0,1|2,0,0]=4 108 B10R0.12 N[C@@H](CCC(=O)O)C(F)(F)F Molport-016-637-608 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Molport-022-368-919 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.84 CNC(CCC(=O)[O-])C(=O)C Molport-051-972-108 [0,2,0,0,0,0|0,0,2]=4 111 B10R0.84 CNC(CCC(=O)[O-])C(=O)O Molport-052-044-249 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.92 NC(CCP(=O)(O)O)C(=O)O Molport-002-513-394 [0,2,0,0,0,0|2,0,0]=4 113 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O Molport-002-514-399 [0,2,0,0,0,0|2,0,0]=4 114 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O Molport-003-941-750 [0,2,0,0,0,0|2,0,0]=4 115 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O Molport-003-665-651 [0,2,0,0,0,0|2,0,0]=4 116 B10R0.78 C=CCNC(=O)CCC(=O)O Molport-002-927-940 [0,2,0,0,0,0|1,0,1]=4 117 B10R0.78 C=CCOC(=O)CCC(=O)O Molport-001-510-493 [0,2,0,0,0,0|1,0,1]=4 118 B10R0.78 CCCCC(N)CCC(=O)O Molport-002-152-141 [0,2,0,0,0,0|0,0,2]=4 119 B8R1.1 C=CC1CCC(=O)N1 Molport-015-164-231 [1,0,0,1,0,0|0,0,0]=2 120 B8R1.1 COC1CCC(=O)N1 Molport-003-848-656 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO Molport-009-196-949 [1,0,0,1,0,0|0,0,1]=3 122 B8R1.1 O=C1CCC(N1)CO Molport-000-004-281 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.2 C=CC1CCCCN1 Molport-033-356-080 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.3 NC1CCC(=O)NC1 Molport-009-106-811 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.3 O=C1C=CC(OC1)O Molport-022-878-873 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.50 CC1CCC(=O)C1=O Molport-001-766-677 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.50 N[C@@H]1CCN(C1=O)O Molport-003-941-595 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 CC1=CC(=O)CCC1 Molport-001-793-302 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.4 NC1=CC(=O)CCC1 Molport-000-000-303 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 O=C1CCCC(=O)O1 Molport-001-793-730 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.4 O=C1CSCC(=O)O1 Molport-000-145-823 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.7 O=C(O)C1C=CCN1 Molport-001-769-493 [1,0,0,1,0,0|1,0,0]=3 133 B8R1.7 O=C(O)C1CC=CC1 Molport-000-002-501 [1,0,0,1,0,0|0,0,2]=4 134 B8R1.7 O=C(O)C1CCCN1 Molport-027-837-861 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.7 O=C(O)C1CCCS1 Molport-021-746-238 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.7 O=C(O)C1CCNC1 Molport-002-499-434 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.34 O=C(O)CC1COC1 Molport-020-016-950 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.43 COC1CC1C(=O)O Molport-021-996-262 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.23 C=C1CC(C1)C(=O)O Molport-001-769-523 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.23 O=C1CC(N1)C(=O)O Molport-016-578-545 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.77 O=C(O)C1CC1(Cl)Cl Molport-000-655-874 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.77 O=C(O)C1CC1(F)F Molport-000-160-065 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.18 NC1CC(=O)NC1=O Molport-044-660-336 [0,0,0,1,1,0|2,0,0]=4 144 B10R1.13 NC1CCC(CC1)C(=O)O Molport-002-473-430 [0,0,0,1,0,1|0,0,2]=4 145 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O Molport-001-767-837 [0,0,0,1,0,1|0,0,2]=4 146 B10R1.31 CCC1NC(CS1)C(=O)O Molport-002-915-741 [0,0,0,1,0,1|0,0,2]=4 147 B10R1.54 NC1=NN(C=C1)CC(=O)O Molport-000-890-884 [0,0,0,1,0,1|1,0,1]=4 148 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Molport-046-472-523 [0,1,0,1,0,0|0,0,2]=4 149 B10R1.360 CC1(CC1C(=O)O)C(=O)O Molport-002-559-050 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.25 CNC1CCC(=O)NC1=O Molport-039-209-747 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.113 NC1CCCC(C1)C(=O)O Molport-000-150-999 [0,1,0,1,0,0|0,0,2]=4 152 B10R1.118 C[C@H]1C[C@H](C(=O)OC1=O)C Molport-009-194-680 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.66 O=C(O)CCC1=CC=CN1 Molport-009-197-233 [0,1,0,1,0,0|0,0,1]=3 154 B10R1.66 O=C(O)CCC1=CC=CO1 Molport-000-141-466 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.66 O=C(O)CCC1=CC=NO1 Molport-002-001-553 [0,1,0,1,0,0|0,0,2]=4 156 B10R1.66 O=C(O)CCC1=CSC=C1 Molport-000-894-477 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.66 O=C(O)CCC1=NC=NN1 Molport-022-520-667 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.66 O=C(O)CCC1=NOC=C1 Molport-019-954-499 [0,1,0,1,0,0|0,0,2]=4 159 B10R1.66 O=C(O)CCN1C=CC=C1 Molport-000-125-115 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.66 O=C(O)CCN1C=CC=N1 Molport-000-147-891 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.66 O=C(O)CCN1C=CN=C1 Molport-000-145-132 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.66 O=C(O)CCN1C=CN=C1 Molport-003-073-643 [0,1,0,1,0,0|1,0,1]=4 163 B10R1.66 O=C(O)CCN1C=C[NH+]=C1 Molport-000-750-098 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.66 O=C(O)CCN1C=NC=N1 Molport-000-145-133 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.66 O=C(O)CNC1=NNC=C1 Molport-002-768-761 [0,1,0,1,0,0|1,0,1]=4 166 B6R0.2 CC(N)CC(=O)N Molport-039-240-602 [1,0,0,0,1,0|1,0,1]=4 167 B6R0.3 CCC(N)C(=O)O Molport-001-771-110 [0,0,0,0,2,0|0,0,2]=4 168 B6R0.3 NC[C@H](N)C(=O)O Molport-027-834-922 [0,0,0,0,2,0|1,0,1]=4 169 B6R0.3 N[C@@H](CO)[13C](=O)O Molport-003-934-841 [0,0,0,0,2,0|1,0,1]=4 170 B6R0.3 N[C@H](CCl)C(=O)O Molport-020-004-719 [0,0,0,0,2,0|1,0,1]=4 171 B6R0.3 N[C@H](CS)C(=O)O Molport-003-929-589 [0,0,0,0,2,0|1,0,1]=4