0 B2R0.1 BrCBr Molport-001-779-708 [0,0,0,0,0,0|3,0,0]=3 1 B2R0.1 CC=O Molport-001-783-184 [0,0,0,0,0,0|2,0,0]=2 2 B2R0.1 CCBr Molport-000-872-074 [0,0,0,0,0,0|3,0,0]=3 3 B2R0.1 CCI Molport-001-783-754 [0,0,0,0,0,0|3,0,0]=3 4 B2R0.1 CCN Molport-003-925-271 [0,0,0,0,0,0|3,0,0]=3 5 B2R0.1 CCO Molport-001-785-844 [0,0,0,0,0,0|2,0,0]=2 6 B2R0.1 CNN Molport-003-920-871 [0,0,0,0,0,0|2,0,1]=3 7 B2R0.1 CNO Molport-002-475-845 [0,0,0,0,0,0|1,0,1]=2 8 B2R0.1 CSC Molport-003-926-861 [0,0,0,0,0,0|3,0,0]=3 9 B2R0.1 Cl[Pt+2]Cl Molport-006-167-566 [0,0,0,0,0,0|3,0,0]=3 10 B2R0.1 N#CBr Molport-000-153-709 [0,0,0,0,0,0|3,0,0]=3 11 B2R0.1 O=[13CH][O-] Molport-003-929-092 [0,0,0,0,0,0|1,0,1]=2 12 B2R0.1 O=[Se]=O Molport-001-783-720 [0,0,0,0,0,0|1,0,1]=2 13 B2R0.1 O=[Si]=O Molport-003-927-378 [0,0,0,0,0,0|1,0,1]=2 14 B2R0.1 S=C=S Molport-001-768-563 [0,0,0,0,0,0|1,2,0]=3 15 B2R0.1 [BH3-]C#N Molport-001-768-451 [0,0,0,0,0,0|3,0,0]=3 16 B1R0.1 CI Molport-000-156-457 [1,0,0,0,0,0|2,0,0]=3 17 B1R0.1 CS Molport-003-929-451 [1,0,0,0,0,0|1,1,0]=3 18 B1R0.1 C[S-] Molport-001-766-727 [1,0,0,0,0,0|1,1,0]=3 19 B1R0.1 [Li]Cl Molport-003-929-506 [1,0,0,0,0,0|2,0,0]=3 20 B1R0.1 [Li]O Molport-001-789-679 [1,0,0,0,0,0|1,0,0]=2 21 B1R0.1 [Na]I Molport-047-739-920 [1,0,0,0,0,0|2,0,0]=3 22 B1R0.1 [O-]Cl Molport-001-781-857 [1,0,0,0,0,0|1,0,1]=3 23 B3R0.1 C#CCBr Molport-001-757-234 [0,1,0,0,0,0|3,0,0]=4 24 B3R0.1 C#CCN Molport-001-785-530 [0,1,0,0,0,0|3,0,0]=4 25 B3R0.1 C#CCO Molport-001-785-544 [0,1,0,0,0,0|2,0,0]=3 26 B3R0.1 C=CC#N Molport-001-787-951 [0,1,0,0,0,0|3,0,0]=4 27 B3R0.1 C=CC=O Molport-001-779-683 [0,1,0,0,0,0|2,0,0]=3 28 B3R0.1 C=CCBr Molport-001-779-705 [0,1,0,0,0,0|3,0,0]=4 29 B3R0.1 C=CCCl Molport-001-767-892 [0,1,0,0,0,0|3,0,0]=4 30 B3R0.1 C=CCN Molport-001-779-877 [0,1,0,0,0,0|3,0,0]=4 31 B3R0.1 CCC#N Molport-001-785-582 [0,1,0,0,0,0|3,0,0]=4 32 B3R0.1 CCC=O Molport-001-769-727 [0,1,0,0,0,0|2,0,0]=3 33 B3R0.1 CCCBr Molport-000-872-093 [0,1,0,0,0,0|3,0,0]=4 34 B3R0.1 CCCI Molport-001-768-401 [0,1,0,0,0,0|3,0,0]=4 35 B3R0.1 CCCS Molport-001-782-697 [0,1,0,0,0,0|2,1,0]=4 36 B3R0.1 CCNC Molport-001-787-402 [0,1,0,0,0,0|2,0,1]=4 37 B3R0.1 CN=C=S Molport-000-872-008 [0,1,0,0,0,0|1,1,0]=3 38 B3R0.1 CNC=O Molport-003-934-095 [0,1,0,0,0,0|1,0,1]=3 39 B3R0.1 CNOC Molport-002-051-971 [0,1,0,0,0,0|1,0,1]=3 40 B3R0.1 COC=O Molport-003-925-521 [0,1,0,0,0,0|1,0,0]=2 41 B3R0.1 CSSC Molport-003-929-787 [0,1,0,0,0,0|2,1,0]=4 42 B3R0.1 ClCCBr Molport-003-927-012 [0,1,0,0,0,0|3,0,0]=4 43 B3R0.1 N#CCBr Molport-000-151-715 [0,1,0,0,0,0|3,0,0]=4 44 B3R0.1 N#CCCl Molport-000-152-696 [0,1,0,0,0,0|3,0,0]=4 45 B3R0.1 N#CCN Molport-001-793-987 [0,1,0,0,0,0|3,0,0]=4 46 B3R0.1 N#CCN Molport-003-894-737 [0,1,0,0,0,0|3,0,0]=4 47 B3R0.1 N/C=N/O Molport-000-003-765 [0,1,0,0,0,0|1,0,0]=2 48 B3R0.1 NCCBr Molport-001-759-150 [0,1,0,0,0,0|3,0,0]=4 49 B3R0.1 NCCBr Molport-036-379-908 [0,1,0,0,0,0|3,0,0]=4 50 B3R0.1 NCCCl Molport-001-756-383 [0,1,0,0,0,0|3,0,0]=4 51 B3R0.1 NCCCl Molport-001-786-398 [0,1,0,0,0,0|3,0,0]=4 52 B3R0.1 NCCN Molport-001-783-384 [0,1,0,0,0,0|3,0,0]=4 53 B3R0.1 O=CC=O Molport-001-780-154 [0,1,0,0,0,0|1,0,1]=3 54 B3R0.1 O=CCCl Molport-001-768-825 [0,1,0,0,0,0|2,0,0]=3 55 B3R0.1 O=NO[Na] Molport-027-837-995 [0,1,0,0,0,0|0,0,0]=1 56 B3R0.1 OCCBr Molport-001-779-800 [0,1,0,0,0,0|2,0,0]=3 57 B3R0.1 OCCF Molport-001-771-679 [0,1,0,0,0,0|2,0,0]=3 58 B3R0.1 OCCI Molport-001-789-445 [0,1,0,0,0,0|2,0,0]=3 59 B3R0.1 OCCS Molport-003-938-002 [0,1,0,0,0,0|1,1,0]=3 60 B3R0.1 SCCS Molport-001-781-684 [0,1,0,0,0,0|1,2,0]=4 61 B3R0.1 [O-]CC[O-] Molport-003-899-211 [0,1,0,0,0,0|1,0,2]=4 62 B3R0.2 CC(=N)N Molport-000-000-404 [0,1,0,0,0,0|3,0,0]=4 63 B3R0.2 CC(=N)N Molport-000-872-001 [0,1,0,0,0,0|3,0,0]=4 64 B3R0.2 CC(=N)S Molport-006-109-601 [0,1,0,0,0,0|2,1,0]=4 65 B3R0.2 CC(=O)O Molport-000-871-575 [0,1,0,0,0,0|1,0,0]=2 66 B3R0.2 CC(=O)O Molport-003-925-310 [0,1,0,0,0,0|1,0,0]=2 67 B3R0.2 CC(=O)S Molport-001-781-634 [0,1,0,0,0,0|1,1,0]=3 68 B3R0.2 CC(=O)[O-] Molport-006-169-563 [0,1,0,0,0,0|1,0,1]=3 69 B3R0.2 CC(=O)[O-] Molport-023-223-803 [0,1,0,0,0,0|1,0,1]=3 70 B3R0.2 CC(=O)[O-] Molport-046-852-321 [0,1,0,0,0,0|1,0,1]=3 71 B3R0.2 CC(C)Br Molport-001-779-707 [0,1,0,0,0,0|3,0,0]=4 72 B3R0.2 CC(C)Cl Molport-003-925-224 [0,1,0,0,0,0|3,0,0]=4 73 B3R0.2 CC(C)I Molport-001-768-395 [0,1,0,0,0,0|3,0,0]=4 74 B3R0.2 CC(C)N Molport-001-791-744 [0,1,0,0,0,0|3,0,0]=4 75 B3R0.2 CC(C)N Molport-009-198-777 [0,1,0,0,0,0|3,0,0]=4 76 B3R0.2 CC(C)O Molport-000-871-957 [0,1,0,0,0,0|2,0,0]=3 77 B3R0.2 CC(C)S Molport-003-935-617 [0,1,0,0,0,0|2,1,0]=4 78 B3R0.2 CN(C)N Molport-001-779-938 [0,1,0,0,0,0|2,0,1]=4 79 B3R0.2 CS(=O)C Molport-002-317-295 [0,1,0,0,0,0|2,0,0]=3 80 B3R0.2 C[N+](=O)[O-] Molport-000-871-968 [0,1,0,0,0,0|0,0,2]=3 81 B3R0.2 C[S+](C)C Molport-003-855-330 [0,1,0,0,0,0|3,0,0]=4 82 B3R0.2 Cl[Pt-](Cl)Cl Molport-027-836-917 [0,1,0,0,0,0|3,0,0]=4 83 B3R0.2 N=C(N)N Molport-001-779-722 [0,1,0,0,0,0|3,0,0]=4 84 B3R0.2 N=C(N)N Molport-002-317-307 [0,1,0,0,0,0|3,0,0]=4 85 B3R0.2 N=C(N)N Molport-003-928-294 [0,1,0,0,0,0|3,0,0]=4 86 B3R0.2 N=C([NH3+])[NH3+] Molport-047-739-913 [0,1,0,0,0,0|3,0,0]=4 87 B3R0.2 NC(=S)N Molport-000-872-069 [0,1,0,0,0,0|2,1,0]=4 88 B3R0.2 NC(=[Se])N Molport-001-786-012 [0,1,0,0,0,0|2,1,0]=4 89 B3R0.2 N[13C](=O)N Molport-003-929-552 [0,1,0,0,0,0|2,0,0]=3 90 B3R0.2 O=C([O-])O Molport-003-926-303 [0,1,0,0,0,0|1,0,0]=2 91 B3R0.2 O=C([O-])[O-] Molport-000-165-506 [0,1,0,0,0,0|1,0,1]=3 92 B3R0.2 O=[13C]([O-])O Molport-051-972-114 [0,1,0,0,0,0|1,0,0]=2 93 B3R0.2 O=[N+]([O-])O Molport-003-925-708 [0,1,0,0,0,0|0,0,1]=2 94 B3R0.2 O=[N+]([O-])[O-] Molport-006-118-115 [0,1,0,0,0,0|0,0,2]=3 95 B3R0.2 OB(O)O Molport-003-925-997 [0,1,0,0,0,0|1,0,1]=3 96 B3R0.2 [13CH3][13C](=O)[O-] Molport-003-929-150 [0,1,0,0,0,0|1,0,1]=3 97 B3R0.2 [15NH2]C(=O)[15NH2] Molport-003-929-929 [0,1,0,0,0,0|2,0,0]=3 98 B3R1.1 C1CS1 Molport-001-782-825 [0,0,0,1,0,0|2,1,0]=4 99 B0R0.1 N Molport-001-790-558 [2,0,0,0,0,0|0,0,0]=2 100 B0R0.1 [13C] Molport-051-648-997 [2,0,0,0,0,0|0,0,0]=2 101 B0R0.1 [18OH2] Molport-003-930-167 [2,0,0,0,0,0|0,0,0]=2 102 B4R0.1 C#CC(C)O Molport-001-756-893 [0,2,0,0,0,0|2,0,0]=4 103 B4R0.1 C/C(=N/O)/N Molport-000-003-943 [0,2,0,0,0,0|1,0,0]=3 104 B4R0.1 C=CC(=O)C Molport-003-927-327 [0,2,0,0,0,0|2,0,0]=4 105 B4R0.1 C=CC(=O)N Molport-001-792-135 [0,2,0,0,0,0|2,0,0]=4 106 B4R0.1 C=CC(=O)O Molport-000-871-611 [0,2,0,0,0,0|1,0,0]=3 107 B4R0.1 CC(=O)C=O Molport-001-769-006 [0,2,0,0,0,0|1,0,1]=4 108 B4R0.1 CC(=O)CCl Molport-000-871-814 [0,2,0,0,0,0|2,0,0]=4 109 B4R0.1 CC(=O)C[NH3+] Molport-002-330-020 [0,2,0,0,0,0|2,0,0]=4 110 B4R0.1 CC(=O)NBr Molport-001-781-467 [0,2,0,0,0,0|1,0,1]=4 111 B4R0.1 CC(=O)NN Molport-000-882-947 [0,2,0,0,0,0|1,0,1]=4 112 B4R0.1 CC(C)C=O Molport-001-787-562 [0,2,0,0,0,0|2,0,0]=4 113 B4R0.1 CC(C)CO Molport-001-785-833 [0,2,0,0,0,0|2,0,0]=4 114 B4R0.1 CC(O)CCl Molport-001-792-062 [0,2,0,0,0,0|2,0,0]=4 115 B4R0.1 CC(O)CO Molport-001-768-866 [0,2,0,0,0,0|1,0,1]=4 116 B4R0.1 CCC(=O)N Molport-003-926-455 [0,2,0,0,0,0|2,0,0]=4 117 B4R0.1 CCC(=O)O Molport-000-871-576 [0,2,0,0,0,0|1,0,0]=3 118 B4R0.1 CCC(C)O Molport-001-783-136 [0,2,0,0,0,0|2,0,0]=4 119 B4R0.1 CCS(=O)O Molport-038-082-949 [0,2,0,0,0,0|1,0,0]=3 120 B4R0.1 CNC(=O)N Molport-001-783-302 [0,2,0,0,0,0|1,0,1]=4 121 B4R0.1 COC(=N)N Molport-001-781-758 [0,2,0,0,0,0|2,0,0]=4 122 B4R0.1 COC(=O)Cl Molport-001-791-964 [0,2,0,0,0,0|1,0,0]=3 123 B4R0.1 COC(Cl)Cl Molport-003-930-857 [0,2,0,0,0,0|2,0,0]=4 124 B4R0.1 C[C@H](O)CN Molport-001-794-231 [0,2,0,0,0,0|2,0,0]=4 125 B4R0.1 NC(=O)CO Molport-001-761-952 [0,2,0,0,0,0|1,0,0]=3 126 B4R0.1 NC(=O)CS Molport-000-144-354 [0,2,0,0,0,0|1,1,0]=4 127 B4R0.1 NCC(=O)O Molport-003-936-530 [0,2,0,0,0,0|1,0,0]=3 128 B4R0.1 NC[13C](=O)O Molport-003-929-093 [0,2,0,0,0,0|1,0,0]=3 129 B4R0.1 NNC(=O)N Molport-001-779-765 [0,2,0,0,0,0|1,0,1]=4 130 B4R0.1 N[13CH2][13C](=O)O Molport-003-929-140 [0,2,0,0,0,0|1,0,0]=3 131 B4R0.1 O=C(Br)CBr Molport-000-871-985 [0,2,0,0,0,0|2,0,0]=4 132 B4R0.1 O=C(Cl)CCl Molport-000-872-020 [0,2,0,0,0,0|2,0,0]=4 133 B4R0.1 O=C(O)CBr Molport-001-769-533 [0,2,0,0,0,0|1,0,0]=3 134 B4R0.1 O=C(O)CCl Molport-000-871-803 [0,2,0,0,0,0|1,0,0]=3 135 B4R0.1 O=C(O)CI Molport-002-990-500 [0,2,0,0,0,0|1,0,0]=3 136 B4R0.1 O=C(O)CO Molport-044-193-651 [0,2,0,0,0,0|1,0,0]=3 137 B4R0.1 O=C(O)CS Molport-003-935-930 [0,2,0,0,0,0|1,0,0]=3 138 B4R0.1 O=CC(=O)O Molport-001-788-315 [0,2,0,0,0,0|1,0,0]=3 139 B4R0.1 OCC(F)F Molport-000-154-350 [0,2,0,0,0,0|2,0,0]=4 140 B4R0.1 [15NH2]CC(=O)O Molport-003-929-547 [0,2,0,0,0,0|1,0,0]=3 141 B4R0.1 [15NH2][13CH2]C(=O)O Molport-003-929-550 [0,2,0,0,0,0|1,0,0]=3 142 B4R0.2 C#CCCO Molport-000-152-662 [0,2,0,0,0,0|2,0,0]=4 143 B4R0.2 C/C=C/CO Molport-001-759-965 [0,2,0,0,0,0|2,0,0]=4 144 B4R0.2 C=COCC Molport-000-141-310 [0,2,0,0,0,0|2,0,0]=4 145 B4R0.2 C=NCC#N Molport-001-779-739 [0,2,0,0,0,0|2,0,0]=4 146 B4R0.2 CCCON Molport-009-195-312 [0,2,0,0,0,0|2,0,0]=4 147 B4R0.2 CCN=C=O Molport-001-732-518 [0,2,0,0,0,0|1,0,0]=3 148 B4R0.2 CCN=C=S Molport-000-872-053 [0,2,0,0,0,0|1,1,0]=4 149 B4R0.2 CCOC=O Molport-001-766-723 [0,2,0,0,0,0|1,0,0]=3 150 B4R0.2 COCC#N Molport-001-768-878 [0,2,0,0,0,0|2,0,0]=4 151 B4R0.2 COCCBr Molport-000-151-998 [0,2,0,0,0,0|2,0,0]=4 152 B4R0.2 COCCN Molport-001-787-261 [0,2,0,0,0,0|2,0,0]=4 153 B4R0.2 COCCO Molport-001-793-100 [0,2,0,0,0,0|1,0,1]=4 154 B4R0.2 COCOC Molport-003-934-233 [0,2,0,0,0,0|1,0,1]=4 155 B4R0.2 COCON Molport-029-823-220 [0,2,0,0,0,0|1,0,1]=4 156 B4R0.2 N#CCCO Molport-001-767-916 [0,2,0,0,0,0|2,0,0]=4 157 B4R0.2 N#CCNO Molport-006-309-688 [0,2,0,0,0,0|1,0,1]=4 158 B4R0.2 N#CCON Molport-027-631-770 [0,2,0,0,0,0|2,0,0]=4 159 B4R0.2 NNCCO Molport-000-003-956 [0,2,0,0,0,0|1,0,1]=4 160 B4R0.2 NOCCO Molport-008-600-593 [0,2,0,0,0,0|1,0,1]=4 161 B4R0.2 NOCON Molport-049-243-131 [0,2,0,0,0,0|1,0,1]=4 162 B4R0.2 O=CCCO Molport-006-114-002 [0,2,0,0,0,0|1,0,0]=3 163 B4R0.2 OCCCCl Molport-001-756-377 [0,2,0,0,0,0|2,0,0]=4 164 B4R0.2 [NH3+]OCO[NH3+] Molport-000-917-512 [0,2,0,0,0,0|1,0,1]=4 165 B4R0.2 [Ru+2]O[Ru+2]O[Ru+2] Molport-003-939-248 [0,2,0,0,0,0|1,0,1]=4 166 B4R0.3 CC(C)(C)O Molport-001-783-135 [0,2,0,0,0,0|2,0,0]=4 167 B4R0.3 CS(=N)(=O)C Molport-023-282-287 [0,2,0,0,0,0|2,0,0]=4 168 B4R0.3 CS(=O)(=O)O Molport-002-461-882 [0,2,0,0,0,0|1,0,0]=3 169 B4R0.3 CS(=O)(C)C Molport-011-259-014 [0,2,0,0,0,0|2,0,0]=4 170 B4R0.3 C[As](=O)(C)[O-] Molport-020-006-846 [0,2,0,0,0,0|0,1,1]=4 171 B4R0.3 C[S+](=O)(C)C Molport-001-766-715 [0,2,0,0,0,0|2,0,0]=4 172 B4R0.3 NS(=O)(=O)N Molport-000-146-081 [0,2,0,0,0,0|1,0,1]=4 173 B4R0.3 NS(=O)(=O)O Molport-001-790-656 [0,2,0,0,0,0|1,0,0]=3 174 B4R0.3 O=P(Br)(Br)Br Molport-001-768-771 [0,2,0,0,0,0|1,1,0]=4 175 B4R0.3 O=P([O-])(O)O Molport-003-925-400 [0,2,0,0,0,0|0,1,0]=3 176 B4R0.3 O=S(=O)(Cl)Cl Molport-001-790-559 [0,2,0,0,0,0|1,0,1]=4 177 B4R0.3 O=S(=O)(O)O Molport-003-909-730 [0,2,0,0,0,0|1,0,0]=3 178 B4R0.3 O=S(=O)(O)O Molport-003-927-811 [0,2,0,0,0,0|1,0,0]=3 179 B4R0.3 O=S(=O)([O-])F Molport-001-776-521 [0,2,0,0,0,0|1,0,1]=4 180 B4R0.3 O=[Mo](=O)([O-])[O-] Molport-006-110-057 [0,2,0,0,0,0|1,0,1]=4 181 B4R0.3 O=[V]([O-])([O-])[O-] Molport-023-276-586 [0,2,0,0,0,0|1,0,1]=4 182 B4R1.2 CC1CO1 Molport-003-925-881 [0,1,0,1,0,0|2,0,0]=4