0 B4R0.1 C#CC(C)N Molport-009-199-310 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C#CC(C)N Molport-019-997-152 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C#CC(C)O Molport-001-756-893 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C/C(=C\Cl)/Cl Molport-028-615-630 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C/C(=N/O)/N Molport-000-003-943 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 C=C(C)C#N Molport-003-927-505 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=C(C)CCl Molport-000-871-802 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C=C(Cl)C#N Molport-001-769-333 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C=CC(=C)C Molport-001-787-102 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 C=CC(=O)C Molport-003-927-327 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 C=CC(=O)N Molport-001-792-135 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C=CC(=O)O Molport-000-871-611 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 CC(=O)C=O Molport-001-769-006 [0,0,0,0,0,0|1,0,1]=2 13 B4R0.1 CC(=O)CCl Molport-000-871-814 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CC(=O)NBr Molport-001-781-467 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 CC(=O)NN Molport-000-882-947 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 CC(C)C#N Molport-001-770-812 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CC(C)C=O Molport-001-787-562 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 CC(C)CBr Molport-001-779-904 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 CC(C)CN Molport-001-791-754 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 CC(C)CO Molport-001-785-833 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 CC(C)NN Molport-000-159-466 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 CC(C)[Mg]Cl Molport-003-928-093 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 CC(Cl)CN Molport-035-831-138 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 CC(F)CN Molport-042-670-110 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 CC(N)CN Molport-003-926-030 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(N)CS Molport-027-713-750 [0,0,0,0,0,0|2,1,1]=4 28 B4R0.1 CC(O)CCl Molport-001-792-062 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 CC(O)CO Molport-001-768-866 [0,0,0,0,0,0|1,0,2]=3 30 B4R0.1 CC(S)CN Molport-023-247-163 [0,0,0,0,0,0|2,1,1]=4 31 B4R0.1 CCC(=N)N Molport-004-351-237 [0,0,0,0,0,0|4,0,0]=4 32 B4R0.1 CCC(=O)N Molport-003-926-455 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 CCC(=O)O Molport-000-871-576 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 CCC(C)Br Molport-001-768-736 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 CCC(C)N Molport-001-768-854 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 CCC(C)O Molport-001-783-136 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 CCN(C)C Molport-003-925-293 [0,0,0,0,0,0|4,0,0]=4 38 B4R0.1 CCS(=O)O Molport-038-082-949 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 CN(C)C#N Molport-006-113-320 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 CNC(=N)N Molport-000-884-799 [0,0,0,0,0,0|4,0,0]=4 41 B4R0.1 CNC(=N)N Molport-005-222-325 [0,0,0,0,0,0|4,0,0]=4 42 B4R0.1 CNC(=O)N Molport-001-783-302 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.1 CNC(=S)N Molport-001-780-247 [0,0,0,0,0,0|3,1,0]=4 44 B4R0.1 COC(=N)N Molport-001-781-758 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 COC(=O)Cl Molport-001-791-964 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.1 COC(Cl)Cl Molport-003-930-857 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.1 CSC(=N)N Molport-001-641-058 [0,0,0,0,0,0|3,1,0]=4 48 B4R0.1 C[C@H](O)CN Molport-001-794-231 [0,0,0,0,0,0|2,0,2]=4 49 B4R0.1 N=C(N)NN Molport-001-684-055 [0,0,0,0,0,0|4,0,0]=4 50 B4R0.1 N=C(N)NN Molport-001-781-445 [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 N=C(N)NN Molport-002-317-299 [0,0,0,0,0,0|4,0,0]=4 52 B4R0.1 NC(=O)CO Molport-001-761-952 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 NC(=O)CS Molport-000-144-354 [0,0,0,0,0,0|2,1,0]=3 54 B4R0.1 NCC(=O)O Molport-003-936-530 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.1 NC[13C](=O)O Molport-003-929-093 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 NNC(=O)N Molport-001-779-765 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 N[13CH2][13C](=O)O Molport-003-929-140 [0,0,0,0,0,0|3,0,0]=3 58 B4R0.1 O=C(Br)CBr Molport-000-871-985 [0,0,0,0,0,0|3,0,0]=3 59 B4R0.1 O=C(Cl)CCl Molport-000-872-020 [0,0,0,0,0,0|3,0,0]=3 60 B4R0.1 O=C(O)CBr Molport-001-769-533 [0,0,0,0,0,0|3,0,0]=3 61 B4R0.1 O=C(O)CCl Molport-000-871-803 [0,0,0,0,0,0|3,0,0]=3 62 B4R0.1 O=C(O)CI Molport-002-990-500 [0,0,0,0,0,0|3,0,0]=3 63 B4R0.1 O=C(O)CO Molport-044-193-651 [0,0,0,0,0,0|2,0,0]=2 64 B4R0.1 O=C(O)CS Molport-003-935-930 [0,0,0,0,0,0|2,1,0]=3 65 B4R0.1 O=CC(=O)O Molport-001-788-315 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 OCC(F)F Molport-000-154-350 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.1 [15NH2]CC(=O)O Molport-003-929-547 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.1 [15NH2][13CH2]C(=O)O Molport-003-929-550 [0,0,0,0,0,0|3,0,0]=3 69 B3R0.1 C#CCO Molport-001-785-544 [1,0,0,0,0,0|1,0,2]=4 70 B3R0.1 C=CC#N Molport-001-787-951 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.1 C=CC=O Molport-001-779-683 [1,0,0,0,0,0|2,0,0]=3 72 B3R0.1 C=CCBr Molport-001-779-705 [1,0,0,0,0,0|2,0,1]=4 73 B3R0.1 C=CCCl Molport-001-767-892 [1,0,0,0,0,0|2,0,1]=4 74 B3R0.1 C=CCN Molport-001-779-877 [1,0,0,0,0,0|2,0,1]=4 75 B3R0.1 CCC#N Molport-001-785-582 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.1 CCC=O Molport-001-769-727 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.1 CCCBr Molport-000-872-093 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.1 CCCI Molport-001-768-401 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.1 CCCS Molport-001-782-697 [1,0,0,0,0,0|1,1,1]=4 80 B3R0.1 CCNC Molport-001-787-402 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.1 CN=C=S Molport-000-872-008 [1,0,0,0,0,0|2,1,0]=4 82 B3R0.1 CNC=O Molport-003-934-095 [1,0,0,0,0,0|2,0,0]=3 83 B3R0.1 CNOC Molport-002-051-971 [1,0,0,0,0,0|2,0,0]=3 84 B3R0.1 COC=O Molport-003-925-521 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.1 CSSC Molport-003-929-787 [1,0,0,0,0,0|2,1,0]=4 86 B3R0.1 N/C=N/O Molport-000-003-765 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.1 O=CC=O Molport-001-780-154 [1,0,0,0,0,0|1,0,1]=3 88 B3R0.1 O=CCCl Molport-001-768-825 [1,0,0,0,0,0|2,0,0]=3 89 B3R0.1 O=NO[Na] Molport-027-837-995 [1,0,0,0,0,0|2,0,0]=3 90 B3R0.1 OCCBr Molport-001-779-800 [1,0,0,0,0,0|2,0,1]=4 91 B3R0.1 OCCF Molport-001-771-679 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.1 OCCI Molport-001-789-445 [1,0,0,0,0,0|2,0,1]=4 93 B3R0.1 OCCS Molport-003-938-002 [1,0,0,0,0,0|1,1,1]=4 94 B3R0.2 CC(=N)N Molport-000-000-404 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.2 CC(=N)N Molport-000-872-001 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.2 CC(=N)S Molport-006-109-601 [1,0,0,0,0,0|1,1,0]=3 97 B3R0.2 CC(=O)O Molport-000-871-575 [1,0,0,0,0,0|0,0,0]=1 98 B3R0.2 CC(=O)O Molport-003-925-310 [1,0,0,0,0,0|0,0,0]=1 99 B3R0.2 CC(=O)S Molport-001-781-634 [1,0,0,0,0,0|0,1,0]=2 100 B3R0.2 CC(=O)[O-] Molport-006-169-563 [1,0,0,0,0,0|0,0,1]=2 101 B3R0.2 CC(=O)[O-] Molport-023-223-803 [1,0,0,0,0,0|0,0,1]=2 102 B3R0.2 CC(=O)[O-] Molport-046-852-321 [1,0,0,0,0,0|0,0,1]=2 103 B3R0.2 CC(C)Br Molport-001-779-707 [1,0,0,0,0,0|2,0,1]=4 104 B3R0.2 CC(C)Cl Molport-003-925-224 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.2 CC(C)I Molport-001-768-395 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.2 CC(C)N Molport-001-791-744 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.2 CC(C)N Molport-009-198-777 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.2 CC(C)O Molport-000-871-957 [1,0,0,0,0,0|1,0,1]=3 109 B3R0.2 CC(C)S Molport-003-935-617 [1,0,0,0,0,0|1,1,1]=4 110 B3R0.2 CN(C)N Molport-001-779-938 [1,0,0,0,0,0|3,0,0]=4 111 B3R0.2 CS(=O)C Molport-002-317-295 [1,0,0,0,0,0|2,0,0]=3 112 B3R0.2 C[N+](=O)[O-] Molport-000-871-968 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.2 C[S+](C)C Molport-003-855-330 [1,0,0,0,0,0|3,0,0]=4 114 B3R0.2 N=C(N)N Molport-001-779-722 [1,0,0,0,0,0|3,0,0]=4 115 B3R0.2 N=C(N)N Molport-002-317-307 [1,0,0,0,0,0|3,0,0]=4 116 B3R0.2 N=C(N)N Molport-003-928-294 [1,0,0,0,0,0|3,0,0]=4 117 B3R0.2 N=C([NH3+])[NH3+] Molport-047-739-913 [1,0,0,0,0,0|3,0,0]=4 118 B3R0.2 NC(=S)N Molport-000-872-069 [1,0,0,0,0,0|2,1,0]=4 119 B3R0.2 NC(=[Se])N Molport-001-786-012 [1,0,0,0,0,0|2,1,0]=4 120 B3R0.2 N[13C](=O)N Molport-003-929-552 [1,0,0,0,0,0|2,0,0]=3 121 B3R0.2 O=C([O-])O Molport-003-926-303 [1,0,0,0,0,0|1,0,0]=2 122 B3R0.2 O=C([O-])[O-] Molport-000-165-506 [1,0,0,0,0,0|1,0,1]=3 123 B3R0.2 O=[13C]([O-])O Molport-051-972-114 [1,0,0,0,0,0|1,0,0]=2 124 B3R0.2 O=[N+]([O-])O Molport-003-925-708 [1,0,0,0,0,0|2,0,0]=3 125 B3R0.2 O=[N+]([O-])[O-] Molport-006-118-115 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.2 OB(O)O Molport-003-925-997 [1,0,0,0,0,0|2,0,1]=4 127 B3R0.2 [13CH3][13C](=O)[O-] Molport-003-929-150 [1,0,0,0,0,0|0,0,1]=2 128 B3R0.2 [15NH2]C(=O)[15NH2] Molport-003-929-929 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 C/C(=C/C#N)/N Molport-002-501-421 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.1 C/C(=C\C#N)/N Molport-004-288-289 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.1 C/C=C/C(=O)C Molport-001-786-612 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.1 C/C=C/C(=O)Cl Molport-001-793-407 [0,1,0,0,0,0|3,0,0]=4 133 B5R0.1 C=C(C)CCO Molport-003-926-226 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 C=C(C)CNN Molport-000-871-560 [0,1,0,0,0,0|3,0,0]=4 135 B5R0.1 C=COC(=O)C Molport-001-781-486 [0,1,0,0,0,0|1,0,0]=2 136 B5R0.1 CC(=CCBr)C Molport-001-791-956 [0,1,0,0,0,0|3,0,0]=4 137 B5R0.1 CC(=N)NC#N Molport-002-709-336 [0,1,0,0,0,0|3,0,0]=4 138 B5R0.1 CC(=O)CC#N Molport-016-637-915 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 CC(=O)CCN Molport-016-899-706 [0,1,0,0,0,0|2,0,0]=3 140 B5R0.1 CC(C)/C=N/O Molport-000-139-603 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(C)C=NO Molport-003-909-959 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 CC(C)CCO Molport-001-793-103 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 CC(O)CCO Molport-003-927-418 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.1 CCCC(=O)C Molport-001-783-786 [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 CCCC(=O)Cl Molport-000-871-699 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.1 CCCC(=O)O Molport-001-769-669 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.1 CCNC(=O)N Molport-001-790-642 [0,1,0,0,0,0|3,0,0]=4 148 B5R0.1 CCOC(=N)C Molport-003-925-073 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.1 CCOC(=O)Cl Molport-000-872-022 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 CCOC(=S)[S-] Molport-002-318-476 [0,1,0,0,0,0|2,1,0]=4 151 B5R0.1 CNCC(=O)N Molport-001-791-882 [0,1,0,0,0,0|3,0,0]=4 152 B5R0.1 CNCC(=O)N Molport-009-765-559 [0,1,0,0,0,0|3,0,0]=4 153 B5R0.1 CNCC(=O)O Molport-006-112-192 [0,1,0,0,0,0|3,0,0]=4 154 B5R0.1 COCC(=O)Cl Molport-001-794-226 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 COCC(=O)N Molport-003-909-731 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.1 COCC(=S)N Molport-004-339-486 [0,1,0,0,0,0|2,1,0]=4 157 B5R0.1 COCC(C)O Molport-001-793-107 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 CONC(=O)N Molport-002-861-189 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 N#CCC(=O)N Molport-000-150-449 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.1 N#CCC(=O)O Molport-001-785-550 [0,1,0,0,0,0|3,0,0]=4 161 B5R0.1 NC(=O)/C=N/O Molport-003-703-689 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 NC(=O)CCBr Molport-001-794-093 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.1 NC(=O)CCCl Molport-001-765-331 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 NOCC(=O)O Molport-001-781-549 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 O=C(Cl)CCBr Molport-001-792-852 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.1 O=C(Cl)CCCl Molport-001-759-829 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.1 O=C(O)/C=C/I Molport-006-717-067 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.1 O=C(O)/C=N/O Molport-003-703-688 [0,1,0,0,0,0|2,0,0]=3 169 B5R0.1 O=C(O)CCBr Molport-000-152-389 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.1 O=C(O)CCCl Molport-000-871-656 [0,1,0,0,0,0|3,0,0]=4 171 B5R0.1 O=C(O)CCO Molport-000-156-380 [0,1,0,0,0,0|2,0,0]=3 172 B5R0.1 O=[N+]([O-])CCO Molport-001-781-992 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.3 C#CC(=O)NC Molport-020-015-098 [0,1,0,0,0,0|2,0,0]=3 174 B5R0.3 C#CC(=O)OC Molport-000-146-149 [0,1,0,0,0,0|1,0,1]=3 175 B5R0.3 C=CC(=O)OC Molport-000-872-066 [0,1,0,0,0,0|1,0,1]=3 176 B5R0.3 CC/C(=N/O)/N Molport-000-003-970 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.3 CCC(=O)CC Molport-001-770-065 [0,1,0,0,0,0|2,0,0]=3 178 B5R0.3 CCC(=O)CN Molport-023-152-874 [0,1,0,0,0,0|2,0,0]=3 179 B5R0.3 CCC(=O)NN Molport-000-161-644 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.3 CCC(=O)NO Molport-004-345-454 [0,1,0,0,0,0|1,0,0]=2 181 B5R0.3 CCC(=O)OC Molport-003-925-859 [0,1,0,0,0,0|1,0,0]=2 182 B5R0.3 CCC(C)CO Molport-001-783-235 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 CCC(N)CO Molport-003-925-553 [0,1,0,0,0,0|2,0,1]=4 184 B5R0.3 CNC(=O)CBr Molport-002-786-313 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.3 CNC(=O)CCl Molport-000-679-703 [0,1,0,0,0,0|2,0,0]=3 186 B5R0.3 CNC(=O)CS Molport-003-938-573 [0,1,0,0,0,0|1,1,0]=3 187 B5R0.3 CNC(=O)NC Molport-000-894-312 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.3 CNC(=S)NN Molport-000-157-578 [0,1,0,0,0,0|2,1,0]=4 189 B5R0.3 CNC(C)CO Molport-009-200-591 [0,1,0,0,0,0|2,0,1]=4 190 B5R0.3 COC(=O)C#N Molport-003-929-193 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.3 COC(=O)CBr Molport-001-791-817 [0,1,0,0,0,0|1,0,0]=2 192 B5R0.3 COC(=O)CCl Molport-000-871-801 [0,1,0,0,0,0|1,0,0]=2 193 B5R0.3 COC(=O)CI Molport-023-282-507 [0,1,0,0,0,0|1,0,0]=2 194 B5R0.3 COC(=O)CO Molport-001-761-942 [0,1,0,0,0,0|1,0,0]=2 195 B5R0.3 COC(=O)CS Molport-003-925-847 [0,1,0,0,0,0|1,0,0]=2 196 B5R0.3 COC(=O)NN Molport-001-640-393 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.3 COC(=O)OC Molport-003-931-791 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.3 CSC(=N)NN Molport-001-759-796 [0,1,0,0,0,0|3,0,0]=4 199 B5R0.3 CSC(=[NH2+])NN Molport-028-745-032 [0,1,0,0,0,0|3,0,0]=4 200 B5R0.3 C[C@@H](CN)CO Molport-023-282-274 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 N/C(=N\O)/CCl Molport-002-469-130 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.3 NC(CO)CO Molport-001-768-923 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 NNC(=O)CO Molport-003-847-715 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.3 NNC(=O)NO Molport-003-355-323 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.3 O=C(CCl)CCl Molport-001-766-690 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.3 O=C/C(=C/O)/Br Molport-042-672-230 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.3 O=C[C@@H](O)CO Molport-003-983-961 [0,1,0,0,0,0|2,0,1]=4 208 B5R0.3 OCC(Cl)CO Molport-006-111-471 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.3 OCC(O)CCl Molport-001-779-558 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.4 CC(C)(O)CO Molport-001-785-851 [0,1,0,0,0,0|1,0,2]=4 211 B5R0.4 CCS(=N)(=O)C Molport-035-783-560 [0,1,0,0,0,0|3,0,0]=4 212 B5R0.4 CCS(=O)(=O)C Molport-008-818-912 [0,1,0,0,0,0|3,0,0]=4 213 B5R0.4 CS(=O)(=O)NO Molport-008-643-557 [0,1,0,0,0,0|2,0,0]=3 214 B5R0.4 NOS(=O)(=O)O Molport-001-756-369 [0,1,0,0,0,0|3,0,0]=4 215 B5R0.5 C=C(C)C(=O)O Molport-003-926-862 [0,1,0,0,0,0|2,0,0]=3 216 B5R0.5 C=C(C)C(=O)[O-] Molport-003-925-121 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.5 CC(=O)C(=S)N Molport-027-714-039 [0,1,0,0,0,0|1,1,0]=3 218 B5R0.5 CC(=O)C(C)C Molport-001-768-912 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.5 CC(=O)C(C)Cl Molport-001-791-821 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.5 CC(=O)C(C)O Molport-001-785-644 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.5 CC(=O)N(C)N Molport-022-878-797 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.5 CC(=O)[13C](=O)O Molport-047-935-376 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.5 CC(Br)C(=O)O Molport-001-783-816 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.5 CC(C)C(=O)Cl Molport-001-759-229 [0,1,0,0,0,0|3,0,0]=4 225 B5R0.5 CC(C)C(=O)N Molport-001-780-137 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.5 CC(C)C(=O)O Molport-001-783-185 [0,1,0,0,0,0|2,0,1]=4 227 B5R0.5 CC(Cl)C(=O)N Molport-003-927-461 [0,1,0,0,0,0|3,0,0]=4 228 B5R0.5 CC(O)C(=O)N Molport-001-551-223 [0,1,0,0,0,0|2,0,0]=3 229 B5R0.5 CC(S)C(=O)O Molport-003-939-593 [0,1,0,0,0,0|1,1,1]=4 230 B5R0.5 CN(C)C(=O)Cl Molport-000-872-039 [0,1,0,0,0,0|3,0,0]=4 231 B5R0.5 CN(C)C(=O)N Molport-001-781-502 [0,1,0,0,0,0|3,0,0]=4 232 B5R0.5 C[C@H](O)[13C](=O)[O-] Molport-051-692-338 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.5 C[C@H]([15NH2])C(=O)O Molport-042-682-390 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.5 NC(=O)C(=O)N Molport-003-938-776 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.5 NC(=O)C(Br)Br Molport-001-811-442 [0,1,0,0,0,0|3,0,0]=4 236 B5R0.5 O=C(Cl)C(=O)Cl Molport-000-871-963 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.5 O=C(Cl)C(Cl)Cl Molport-001-768-939 [0,1,0,0,0,0|3,0,0]=4 238 B5R0.5 O=C(O)C(=O)O Molport-006-827-025 [0,1,0,0,0,0|2,0,0]=3 239 B5R0.5 O=C(O)C(Br)Br Molport-003-928-414 [0,1,0,0,0,0|3,0,0]=4 240 B5R0.5 O=C(O)C(Cl)Cl Molport-001-779-958 [0,1,0,0,0,0|3,0,0]=4 241 B5R0.5 O=C(O)C(F)F Molport-000-154-233 [0,1,0,0,0,0|3,0,0]=4 242 B5R0.5 [13CH3]C(N)C(=O)O Molport-051-767-821 [0,1,0,0,0,0|2,0,1]=4 243 B5R0.5 [13CH3][C@H](N)C(=O)O Molport-003-934-833 [0,1,0,0,0,0|2,0,1]=4 244 B5R0.5 [13CH3][C@H](O)C(=O)[O-] Molport-003-934-622 [0,1,0,0,0,0|2,0,0]=3 245 B5R1.2 C=C1CNC1 Molport-039-203-851 [0,0,0,1,0,0|3,0,0]=4 246 B5R1.2 OC1COC1 Molport-006-701-036 [0,0,0,1,0,0|1,0,2]=4 247 B5R1.3 OCC1CC1 Molport-000-145-901 [0,0,0,1,0,0|2,0,1]=4 248 B5R1.5 CC1(CO1)C Molport-000-156-531 [0,0,0,1,0,0|2,0,1]=4 249 B2R0.1 CC=O Molport-001-783-184 [2,0,0,0,0,0|0,0,0]=2 250 B2R0.1 CCBr Molport-000-872-074 [2,0,0,0,0,0|1,0,1]=4 251 B2R0.1 CCI Molport-001-783-754 [2,0,0,0,0,0|1,0,1]=4 252 B2R0.1 CCN Molport-003-925-271 [2,0,0,0,0,0|1,0,1]=4 253 B2R0.1 CCO Molport-001-785-844 [2,0,0,0,0,0|0,0,1]=3 254 B2R0.1 CNN Molport-003-920-871 [2,0,0,0,0,0|2,0,0]=4 255 B2R0.1 CNO Molport-002-475-845 [2,0,0,0,0,0|1,0,0]=3 256 B2R0.1 CSC Molport-003-926-861 [2,0,0,0,0,0|1,1,0]=4 257 B2R0.1 O=[13CH][O-] Molport-003-929-092 [2,0,0,0,0,0|0,0,1]=3 258 B2R0.1 O=[Se]=O Molport-001-783-720 [2,0,0,0,0,0|0,1,1]=4 259 B2R0.1 O=[Si]=O Molport-003-927-378 [2,0,0,0,0,0|0,1,1]=4 260 B4R0.2 C/C=C/C#N Molport-001-784-288 [1,1,0,0,0,0|2,0,0]=4 261 B4R0.2 C/C=C/CO Molport-001-759-965 [1,1,0,0,0,0|1,0,0]=3 262 B4R0.2 C=COCC Molport-000-141-310 [1,1,0,0,0,0|1,0,1]=4 263 B4R0.2 CCCON Molport-009-195-312 [1,1,0,0,0,0|1,0,1]=4 264 B4R0.2 CCOC=O Molport-001-766-723 [1,1,0,0,0,0|1,0,0]=3 265 B4R0.2 COCCBr Molport-000-151-998 [1,1,0,0,0,0|1,0,1]=4 266 B4R0.2 COCCN Molport-001-787-261 [1,1,0,0,0,0|1,0,1]=4 267 B4R0.2 COCCO Molport-001-793-100 [1,1,0,0,0,0|1,0,1]=4 268 B4R0.2 COCOC Molport-003-934-233 [1,1,0,0,0,0|1,0,1]=4 269 B4R0.2 COCON Molport-029-823-220 [1,1,0,0,0,0|1,0,1]=4 270 B4R0.2 NOCCO Molport-008-600-593 [1,1,0,0,0,0|1,0,1]=4 271 B4R0.2 O=CCCO Molport-006-114-002 [1,1,0,0,0,0|1,0,0]=3 272 B4R0.2 OCCCCl Molport-001-756-377 [1,1,0,0,0,0|1,0,1]=4 273 B4R0.3 CC(C)(C)O Molport-001-783-135 [1,1,0,0,0,0|1,0,1]=4 274 B4R0.3 CS(=N)(=O)C Molport-023-282-287 [1,1,0,0,0,0|2,0,0]=4 275 B4R0.3 CS(=O)(=O)O Molport-002-461-882 [1,1,0,0,0,0|1,0,0]=3 276 B4R0.3 CS(=O)(C)C Molport-011-259-014 [1,1,0,0,0,0|2,0,0]=4 277 B4R0.3 C[As](=O)(C)[O-] Molport-020-006-846 [1,1,0,0,0,0|1,0,1]=4 278 B4R0.3 C[S+](=O)(C)C Molport-001-766-715 [1,1,0,0,0,0|2,0,0]=4 279 B4R0.3 NS(=O)(=O)O Molport-001-790-656 [1,1,0,0,0,0|2,0,0]=4 280 B4R0.3 O=P([O-])(O)O Molport-003-925-400 [1,1,0,0,0,0|2,0,0]=4 281 B4R0.3 O=S(=O)(O)O Molport-003-909-730 [1,1,0,0,0,0|2,0,0]=4 282 B4R0.3 O=S(=O)(O)O Molport-003-927-811 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.1 C#CC(=O)NCC Molport-033-484-218 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.1 C#CC(=O)OCC Molport-000-146-041 [0,2,0,0,0,0|1,0,1]=4 285 B6R0.1 C/C(=N\O)/C=N/O Molport-002-134-556 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.1 C/C(=N\O)/C=N\O Molport-002-319-356 [0,2,0,0,0,0|1,0,1]=4 287 B6R0.1 C/C=C/C(=O)OC Molport-001-783-898 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.1 C=CC(=O)OCC Molport-001-773-528 [0,2,0,0,0,0|1,0,1]=4 289 B6R0.1 CCC/C(=N/O)/N Molport-000-145-251 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.1 CCCC(=O)NN Molport-000-152-665 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.1 CCNC(=O)CBr Molport-001-787-874 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.1 CCNC(=O)CCl Molport-002-495-438 [0,2,0,0,0,0|2,0,0]=4 293 B6R0.1 CCOC(=O)C#N Molport-003-847-209 [0,2,0,0,0,0|1,0,1]=4 294 B6R0.1 CCOC(=O)C=O Molport-001-785-565 [0,2,0,0,0,0|1,0,1]=4 295 B6R0.1 CCOC(=O)CBr Molport-000-155-170 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.1 CCOC(=O)CC Molport-001-769-743 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.1 CCOC(=O)CCl Molport-001-781-436 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.1 CCOC(=O)CI Molport-003-928-420 [0,2,0,0,0,0|1,0,0]=3 299 B6R0.1 CCOC(=O)CN Molport-001-780-044 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.1 CCOC(=O)CS Molport-002-317-318 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.1 CCOC(=O)NN Molport-000-882-949 [0,2,0,0,0,0|2,0,0]=4 302 B6R0.1 CCS(=O)CCO Molport-006-828-128 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.1 CNC(=O)CC#N Molport-001-761-669 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.1 CNC(=O)CCN Molport-004-310-353 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.1 CNC(=O)CON Molport-035-944-370 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.1 CNCC(=O)NC Molport-002-467-985 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.1 CNCC(=O)NC Molport-005-310-658 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.1 CNCC(=O)OC Molport-002-468-770 [0,2,0,0,0,0|1,0,0]=3 309 B6R0.1 COC(=O)CC#N Molport-001-760-458 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.1 COC(=O)CCBr Molport-001-780-239 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.1 COC(=O)CCCl Molport-001-785-711 [0,2,0,0,0,0|1,0,0]=3 312 B6R0.1 COC(=O)CCO Molport-001-787-796 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.1 COC(=O)CCS Molport-001-766-713 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.1 COC/C(=N/O)/N Molport-005-933-111 [0,2,0,0,0,0|2,0,0]=4 315 B6R0.1 COCC(=O)NN Molport-000-156-737 [0,2,0,0,0,0|2,0,0]=4 316 B6R0.1 COCC(=O)OC Molport-003-926-594 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.1 O=C(CCl)NCO Molport-001-762-548 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.2 CC(=O)C=C(C)C Molport-000-872-030 [0,2,0,0,0,0|2,0,0]=4 319 B6R0.2 CC(=O)CC(=O)C Molport-000-871-954 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.2 CC(=O)CC(=O)N Molport-003-925-054 [0,2,0,0,0,0|1,0,1]=4 321 B6R0.2 CC(=O)CC(=O)[O-] Molport-046-683-289 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.2 CC(=O)CC(C)C Molport-001-789-273 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.2 CC(=O)NC(=N)N Molport-000-149-628 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.2 CC(=O)NC(=O)N Molport-005-273-810 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.2 CC(=O)NC(=S)N Molport-001-760-008 [0,2,0,0,0,0|1,1,0]=4 326 B6R0.2 CC(=O)NC(C)C Molport-003-909-835 [0,2,0,0,0,0|2,0,0]=4 327 B6R0.2 CC(=O)OC(C)Cl Molport-039-062-263 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.2 CC(Cl)OC(=O)Cl Molport-003-928-235 [0,2,0,0,0,0|2,0,0]=4 329 B6R0.3 C#CC(=O)N(C)C Molport-030-547-888 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.3 C/C(=N\O)/C(=O)O Molport-030-082-334 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.3 C=C(C)C(=O)OC Molport-001-783-931 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.3 CC(=O)/C(=N/O)/Cl Molport-002-319-748 [0,2,0,0,0,0|1,0,0]=3 333 B6R0.3 CC(=O)/C(=N\O)/C Molport-001-781-429 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.3 CC(C)/C(=N/O)/N Molport-000-003-932 [0,2,0,0,0,0|2,0,0]=4 335 B6R0.3 CC(C)C(=O)CN Molport-020-166-220 [0,2,0,0,0,0|2,0,0]=4 336 B6R0.3 CC(C)C(=O)CO Molport-022-912-562 [0,2,0,0,0,0|1,0,0]=3 337 B6R0.3 CC(CO)[N+](=O)[O-] Molport-001-779-593 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.3 CC[C@@H](O)C(=O)O Molport-003-936-425 [0,2,0,0,0,0|2,0,0]=4 339 B6R0.3 CN(C)C(=O)CI Molport-021-578-938 [0,2,0,0,0,0|2,0,0]=4 340 B6R0.3 CN(C)C(=O)CN Molport-001-792-841 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.3 CNC(=O)C(=O)O Molport-000-159-467 [0,2,0,0,0,0|1,0,0]=3 342 B6R0.3 CNC(=O)C(C)C Molport-008-641-109 [0,2,0,0,0,0|2,0,0]=4 343 B6R0.3 CNC(=O)C(C)Cl Molport-002-469-689 [0,2,0,0,0,0|2,0,0]=4 344 B6R0.3 CNC(=O)C(C)N Molport-004-327-356 [0,2,0,0,0,0|2,0,0]=4 345 B6R0.3 CNC(=O)[C@H](C)N Molport-008-155-642 [0,2,0,0,0,0|2,0,0]=4 346 B6R0.3 COC(=N)C(C)C Molport-006-666-098 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.3 COC(=O)C(=N)N Molport-000-002-829 [0,2,0,0,0,0|1,0,1]=4 348 B6R0.3 COC(=O)C(=N)N Molport-037-962-052 [0,2,0,0,0,0|1,0,1]=4 349 B6R0.3 COC(=O)C(=O)C Molport-001-780-245 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.3 COC(=O)C(=O)[O-] Molport-023-219-867 [0,2,0,0,0,0|1,0,1]=4 351 B6R0.3 COC(=O)C(C)C Molport-002-461-935 [0,2,0,0,0,0|1,0,0]=3 352 B6R0.3 COC(=O)C(C)Cl Molport-001-768-824 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.3 COC(=O)C(Cl)Cl Molport-001-786-484 [0,2,0,0,0,0|1,0,0]=3 354 B6R0.3 COC(=O)N(C)C Molport-033-370-879 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.3 COC(=O)[C@@H](C)N Molport-001-762-458 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.3 COC(C)C(=O)N Molport-002-779-634 [0,2,0,0,0,0|1,0,1]=4 357 B6R0.3 N/C(=N\O)/C(Cl)Cl Molport-005-933-279 [0,2,0,0,0,0|2,0,0]=4 358 B6R0.3 NC(=O)C(N)CO Molport-004-946-904 [0,2,0,0,0,0|2,0,0]=4 359 B6R0.3 N[C@@H](CO)[13C](=O)O Molport-003-934-841 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.3 O=C(CCl)C(Cl)Cl Molport-003-894-561 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.3 O=C(O)C(O)CCl Molport-001-786-481 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.3 O=C([O-])C(=O)CS Molport-035-395-274 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.4 C#CCOC(=O)C Molport-003-936-303 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.4 C=CCNC(=O)C Molport-006-112-291 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.4 C=CCOC(=O)Cl Molport-001-768-862 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.4 CC(=O)CCCCl Molport-001-759-283 [0,2,0,0,0,0|2,0,0]=4 367 B6R0.4 CC(=O)NCCCl Molport-002-501-811 [0,2,0,0,0,0|2,0,0]=4 368 B6R0.4 CC(=O)NCCN Molport-001-791-776 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.4 CC(=O)OCC#N Molport-016-633-541 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.4 CC(=O)OCCBr Molport-001-791-955 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.4 CC(=O)SCCN Molport-044-566-675 [0,2,0,0,0,0|1,1,0]=4 372 B6R0.4 CC(C)OCCO Molport-001-791-402 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.4 CCCOC(=O)N Molport-004-946-681 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.4 CO/C=C/C(=O)C Molport-003-926-096 [0,2,0,0,0,0|1,0,0]=3 375 B6R0.4 COCCC(=O)O Molport-001-794-152 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.4 O=C(Cl)OCCCl Molport-003-928-609 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.4 O=C(O)/C=C/CO Molport-000-004-126 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.8 COS(=O)(=O)OC Molport-000-871-938 [0,2,0,0,0,0|2,0,0]=4 379 B6R0.7 CC(=O)C(C)(C)N Molport-035-716-262 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.7 CC(C)(O)C(=O)N Molport-003-986-357 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.7 [2H]C([2H])(O)C(=O)O Molport-047-353-089 [0,2,0,0,0,0|2,0,0]=4 382 B4R1.2 CC1CO1 Molport-003-925-881 [1,0,0,1,0,0|1,0,1]=4 383 B6R1.2 CC1=CC=CO1 Molport-019-317-114 [0,1,0,1,0,0|2,0,0]=4 384 B6R1.2 CC1=CC=NO1 Molport-003-984-797 [0,1,0,1,0,0|2,0,0]=4 385 B6R1.2 O=C1CCCC1 Molport-000-871-991 [0,1,0,1,0,0|2,0,0]=4 386 B6R1.2 O=C1CCCN1 Molport-003-928-391 [0,1,0,1,0,0|2,0,0]=4 387 B6R1.2 O=C1CCNC1 Molport-000-006-145 [0,1,0,1,0,0|2,0,0]=4 388 B6R1.2 O=C1CCNN1 Molport-000-141-469 [0,1,0,1,0,0|2,0,0]=4 389 B6R1.2 O=C1CCON1 Molport-027-837-068 [0,1,0,1,0,0|1,0,0]=3 390 B6R1.2 O=C1NCCS1 Molport-002-465-761 [0,1,0,1,0,0|1,1,0]=4 391 B6R1.2 O=C1OCCO1 Molport-003-925-305 [0,1,0,1,0,0|1,0,0]=3 392 B6R1.2 O=P1OCCO1 Molport-003-910-644 [0,1,0,1,0,0|2,0,0]=4 393 B6R1.2 S=C1NCCO1 Molport-001-766-543 [0,1,0,1,0,0|1,1,0]=4 394 B6R1.5 C=C1CC(=O)O1 Molport-001-780-180 [0,1,0,1,0,0|1,0,0]=3