0 B5R1.1 C1=CCC=C1 SC-49087 [0,0,0,0,0,0|1,0,3]=4 1 B5R1.1 C1=CNN=N1 SC-18732 [0,0,0,0,0,0|2,0,2]=4 2 B5R1.1 C1=COCC1 SC-22656 [0,0,0,0,0,0|1,0,2]=3 3 B5R1.1 C1=NN=NN1 SC-45543 [0,0,0,0,0,0|3,0,1]=4 4 B5R1.1 C1CNCN1 SC-97431 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 CC1CCOC1 SC-48311 [0,1,0,0,0,0|1,0,0]=2 6 B6R1.2 ClC1CCOC1 SC-47840 [0,1,0,0,0,0|1,0,0]=2 7 B6R1.2 NC1CCCC1 SC-26627 [0,1,0,0,0,0|1,0,0]=2 8 B6R1.2 O=C1CCON1 SC-95997 [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 O=C1CCSC1 SC-00014 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.2 O=C1OCCO1 SC-46725 [0,1,0,0,0,0|2,0,1]=4 11 B6R1.2 OC1CCSC1 SC-53391 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 S=C1C=CCC1 SC-42975 [0,1,0,0,0,0|1,0,2]=4 13 B6R1.2 [C@@H]1(N)CCNC1 SC-00475 [0,1,0,0,0,0|0,0,0]=1 14 B6R1.2 [C@@H]1(N)CCNC1 SC-00476 [0,1,0,0,0,0|0,0,0]=1 15 B4R0.2 C=CCCBr SC-17888 [0,0,1,0,0,0|1,0,2]=4 16 B4R0.2 C=CCNN SC-54870 [0,0,1,0,0,0|1,0,2]=4 17 B4R0.2 C=CCOC SC-62245 [0,0,1,0,0,0|1,0,2]=4 18 B4R0.2 CCCNN SC-66226 [0,0,1,0,0,0|1,0,0]=2 19 B4R0.2 CCCNN SC-88572 [0,0,1,0,0,0|1,0,0]=2 20 B4R0.2 CCCSC SC-88233 [0,0,1,0,0,0|1,0,0]=2 21 B4R0.2 CCNCC SC-25726 [0,0,1,0,0,0|0,0,0]=1 22 B4R0.2 CCOC=N SC-52423 [0,0,1,0,0,0|1,0,2]=4 23 B4R0.2 CC[NH2+]CC SC-20006 [0,0,1,0,0,0|0,0,1]=2 24 B4R0.2 CNCCO SC-26626 [0,0,1,0,0,0|1,0,0]=2 25 B4R0.2 COCC[O-] SC-67452 [0,0,1,0,0,0|2,0,0]=3 26 B4R0.2 CSCCN SC-40144 [0,0,1,0,0,0|1,0,0]=2 27 B4R0.2 C[SH+]CCCl SC-53966 [0,0,1,0,0,0|2,0,0]=3 28 B4R0.2 FCCCF SC-62358 [0,0,1,0,0,0|2,0,0]=3 29 B4R0.2 N#CCCS SC-66276 [0,0,1,0,0,0|1,0,2]=4 30 B4R0.2 NCCCCl SC-40009 [0,0,1,0,0,0|1,0,0]=2 31 B4R0.2 NCCCF SC-48630 [0,0,1,0,0,0|1,0,0]=2 32 B4R0.2 NCCCN SC-16220 [0,0,1,0,0,0|1,0,0]=2 33 B6R1.1 C1CNCCN1 SC-16373 [0,0,0,0,0,1|0,0,0]=1 34 B6R1.1 C1CSCCS1 SC-49306 [0,0,0,0,0,1|1,0,0]=2 35 B3R0.1 C#CCN SC-15923 [1,0,1,0,0,0|0,0,2]=4 36 B3R0.1 FCCF SC-58115 [1,0,1,0,0,0|2,0,0]=4 37 B3R0.1 ICCI SC-90216 [1,0,1,0,0,0|2,0,0]=4 38 B3R0.1 NCCBr SC-39967 [1,0,1,0,0,0|1,0,0]=3 39 B3R0.1 NCCI SC-40010 [1,0,1,0,0,0|1,0,0]=3 40 B3R0.1 OCCO SC-47188 [1,0,1,0,0,0|2,0,0]=4 41 B3R0.1 [Li]CCC SC-50170 [1,0,1,0,0,0|1,0,0]=3 42 B5R0.1 C=C(C)CCI SC-35692 [0,1,1,0,0,0|1,0,1]=4 43 B5R0.1 C=CCC(C)O SC-49226 [0,1,1,0,0,0|1,0,1]=4 44 B5R0.1 CC(=O)NCO SC-19774 [0,1,1,0,0,0|1,0,1]=4 45 B5R0.1 CC(Br)CCN SC-40141 [0,1,1,0,0,0|0,0,0]=2 46 B5R0.1 CC(N)CCN SC-66926 [0,1,1,0,0,0|0,0,0]=2 47 B5R0.1 CNCC(=O)[O-] SC-18610 [0,1,1,0,0,0|1,0,1]=4 48 B5R0.1 CNCC(C)N SC-66085 [0,1,1,0,0,0|0,0,0]=2 49 B5R0.1 COCC(C)=O SC-81373 [0,1,1,0,0,0|1,0,1]=4 50 B5R0.1 COCC(C)=S SC-42217 [0,1,1,0,0,0|1,0,1]=4 51 B5R0.1 COC[C@H](C)N SC-43750 [0,1,1,0,0,0|1,0,0]=3 52 B5R0.1 COC[C@H](C)N SC-51779 [0,1,1,0,0,0|1,0,0]=3 53 B5R0.1 CSCC(=N)N SC-59669 [0,1,1,0,0,0|1,0,1]=4 54 B5R0.1 CSCC(N)=O SC-27108 [0,1,1,0,0,0|1,0,1]=4 55 B5R0.1 N=C(N)CCBr SC-59651 [0,1,1,0,0,0|1,0,1]=4 56 B5R0.1 N=C(N)CCCl SC-54448 [0,1,1,0,0,0|1,0,1]=4 57 B5R0.1 N=C(N)CCCl SC-58529 [0,1,1,0,0,0|1,0,1]=4 58 B5R0.1 N=C(N)CCN SC-69825 [0,1,1,0,0,0|1,0,1]=4 59 B5R0.2 BrCCCCBr SC-00339 [0,1,1,0,0,0|1,0,0]=3 60 B5R0.2 C=COCCC SC-13613 [0,1,1,0,0,0|1,0,1]=4 61 B5R0.2 CCC#CCO SC-65673 [0,1,1,0,0,0|1,0,1]=4 62 B5R0.2 CCCCNN SC-40662 [0,1,1,0,0,0|0,0,0]=2 63 B5R0.2 CCCCNN SC-41028 [0,1,1,0,0,0|0,0,0]=2 64 B5R0.2 CCCN=C=S SC-74675 [0,1,1,0,0,0|0,0,2]=4 65 B5R0.2 CCCNCC SC-02236 [0,1,1,0,0,0|0,0,0]=2 66 B5R0.2 CCNCCN SC-50818 [0,1,1,0,0,0|0,0,0]=2 67 B5R0.2 CCOCCN SC-47824 [0,1,1,0,0,0|0,0,0]=2 68 B5R0.2 CCSCCBr SC-16797 [0,1,1,0,0,0|1,0,0]=3 69 B5R0.2 CCSCCN SC-65401 [0,1,1,0,0,0|0,0,0]=2 70 B5R0.2 COCCCO SC-01427 [0,1,1,0,0,0|1,0,0]=3 71 B5R0.2 CSCCCO SC-54096 [0,1,1,0,0,0|1,0,0]=3 72 B5R0.2 C\C=C/OCC SC-15783 [0,1,1,0,0,0|1,0,1]=4 73 B5R0.2 NCCCCBr SC-39791 [0,1,1,0,0,0|0,0,0]=2 74 B5R0.2 NCCCCF SC-25718 [0,1,1,0,0,0|0,0,0]=2 75 B5R0.2 NC\C=C\CO SC-22303 [0,1,1,0,0,0|0,0,2]=4 76 B5R0.2 OCCCCCl SC-17604 [0,1,1,0,0,0|1,0,0]=3 77 B5R0.3 CC(CCl)CBr SC-62287 [0,1,1,0,0,0|2,0,0]=4 78 B5R0.3 CC(CN)CCl SC-40011 [0,1,1,0,0,0|1,0,0]=3 79 B5R0.3 CC(CN)CN SC-50225 [0,1,1,0,0,0|1,0,0]=3 80 B5R0.3 CC(CO)CO SC-20510 [0,1,1,0,0,0|2,0,0]=4 81 B5R0.3 CCC(=N)NO SC-56228 [0,1,1,0,0,0|1,0,1]=4 82 B5R0.3 CCC(=O)CN SC-94912 [0,1,1,0,0,0|0,0,1]=3 83 B5R0.3 CCC(C)CBr SC-79299 [0,1,1,0,0,0|1,0,0]=3 84 B5R0.3 CCC(O)CN SC-40219 [0,1,1,0,0,0|0,0,0]=2 85 B5R0.3 CCC(O)OC SC-25588 [0,1,1,0,0,0|1,0,0]=3 86 B5R0.3 CNC(=O)CCl SC-27694 [0,1,1,0,0,0|1,0,1]=4 87 B5R0.3 CNC(=O)CO SC-48574 [0,1,1,0,0,0|1,0,1]=4 88 B5R0.3 CNC(=O)NC SC-15870 [0,1,1,0,0,0|1,0,1]=4 89 B5R0.3 COC(C)CO SC-97662 [0,1,1,0,0,0|2,0,0]=4 90 B5R0.3 NCC(Br)CBr SC-40146 [0,1,1,0,0,0|1,0,0]=3 91 B5R0.3 NCC(Cl)CCl SC-40268 [0,1,1,0,0,0|1,0,0]=3 92 B5R0.3 NCC(O)CN SC-80923 [0,1,1,0,0,0|1,0,0]=3 93 B5R0.3 NC[C@H](O)CO SC-45873 [0,1,1,0,0,0|1,0,0]=3 94 B5R0.3 OC[C@H](O)CCl SC-05684 [0,1,1,0,0,0|2,0,0]=4 95 B5R1.2 ClC1CNC1 SC-43920 [0,1,0,0,1,0|0,0,0]=2 96 B7R1.3 BrC1=CCOCC1 SC-50448 [0,1,0,0,0,1|1,0,1]=4 97 B7R1.3 BrC1CCCNC1 SC-24227 [0,1,0,0,0,1|0,0,0]=2 98 B7R1.3 CC1CNCCN1 SC-46321 [0,1,0,0,0,1|0,0,0]=2 99 B7R1.3 CC1OCCCO1 SC-49961 [0,1,0,0,0,1|1,0,0]=3 100 B7R1.3 CN1CC=CCC1 SC-20668 [0,1,0,0,0,1|0,0,1]=3 101 B7R1.3 CN1CC=CCC1 SC-43820 [0,1,0,0,0,1|0,0,1]=3 102 B7R1.3 CN1CCOCC1 SC-47177 [0,1,0,0,0,1|0,0,0]=2 103 B7R1.3 C[C@@H]1CCCCN1 SC-66098 [0,1,0,0,0,1|0,0,0]=2 104 B7R1.3 C[C@@H]1CNCCN1 SC-16922 [0,1,0,0,0,1|0,0,0]=2 105 B7R1.3 C[C@@H]1COCCN1 SC-53986 [0,1,0,0,0,1|0,0,0]=2 106 B7R1.3 ClC1CCNCC1 SC-24517 [0,1,0,0,0,1|0,0,0]=2 107 B7R1.3 FC1CCNCC1 SC-43923 [0,1,0,0,0,1|0,0,0]=2 108 B7R1.3 NN1CCCCC1 SC-17998 [0,1,0,0,0,1|0,0,0]=2 109 B7R1.3 OC1CCCNC1 SC-06015 [0,1,0,0,0,1|0,0,0]=2 110 B7R1.3 OC1CCNCC1 SC-45566 [0,1,0,0,0,1|0,0,0]=2 111 B7R1.1 BrCC1OCCO1 SC-18609 [0,2,0,0,0,0|2,0,0]=4 112 B7R1.1 CNC1CCOC1 SC-14941 [0,2,0,0,0,0|1,0,0]=3 113 B7R1.1 CN[C@H]1CCNC1 SC-08954 [0,2,0,0,0,0|0,0,0]=2 114 B7R1.1 COC1CCCC1 SC-82890 [0,2,0,0,0,0|1,0,0]=3 115 B7R1.1 CO[C@H]1CCNC1 SC-51991 [0,2,0,0,0,0|0,0,0]=2 116 B7R1.1 ClCC1=NCCN1 SC-26809 [0,2,0,0,0,0|1,0,1]=4 117 B7R1.1 ClCC1CCCC1 SC-52756 [0,2,0,0,0,0|1,0,0]=3 118 B7R1.1 ClCC1OCCO1 SC-27068 [0,2,0,0,0,0|2,0,0]=4 119 B7R1.1 ICC1CCCC1 SC-19498 [0,2,0,0,0,0|1,0,0]=3 120 B7R1.1 N#CC1=CCCC1 SC-50518 [0,2,0,0,0,0|1,0,1]=4 121 B7R1.1 NCC1CCOC1 SC-35383 [0,2,0,0,0,0|1,0,0]=3 122 B7R1.1 NNC1CCSC1 SC-59920 [0,2,0,0,0,0|1,0,0]=3 123 B7R1.1 OCC1CCNC1 SC-19805 [0,2,0,0,0,0|0,0,0]=2 124 B7R1.1 OCC1OCCO1 SC-87636 [0,2,0,0,0,0|2,0,0]=4 125 B7R1.1 OC[C@@H]1CCCO1 SC-68774 [0,2,0,0,0,0|1,0,0]=3 126 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,2,0,0,0,0|0,0,1]=3 127 B7R1.2 CC1CCC(N)C1 SC-50487 [0,2,0,0,0,0|1,0,0]=3 128 B7R1.2 CC1CNC(=O)N1 SC-65644 [0,2,0,0,0,0|1,0,1]=4 129 B7R1.2 CC1CNC(=O)N1 SC-67475 [0,2,0,0,0,0|1,0,1]=4 130 B7R1.2 CC1CNC(C)C1 SC-69891 [0,2,0,0,0,0|0,0,0]=2 131 B7R1.2 CN1CC[C@H](N)C1 SC-66196 [0,2,0,0,0,0|0,0,0]=2 132 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,2,0,0,0,0|1,0,1]=4 133 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,2,0,0,0,0|1,0,1]=4 134 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,2,0,0,0,0|1,0,1]=4 135 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,2,0,0,0,0|1,0,1]=4 136 B7R1.2 C[C@@H]1CSC(=S)N1 SC-49654 [0,2,0,0,0,0|1,0,1]=4 137 B7R1.2 C[C@@H]1C[C@H](O)CN1 SC-51782 [0,2,0,0,0,0|0,0,0]=2 138 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,2,0,0,0,0|1,0,1]=4 139 B7R1.2 NC1CCC(O)C1 SC-45420 [0,2,0,0,0,0|1,0,0]=3 140 B7R1.2 NC1CNC(=O)C1 SC-68325 [0,2,0,0,0,0|0,0,1]=3 141 B7R1.2 NN1CCC(O)C1 SC-29741 [0,2,0,0,0,0|0,0,0]=2 142 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [0,2,0,0,0,0|0,0,1]=3 143 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,2,0,0,0,0|1,0,1]=4 144 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [0,2,0,0,0,0|1,0,1]=4 145 B7R1.2 OC1CCC(O)C1 SC-66165 [0,2,0,0,0,0|1,0,0]=3 146 B7R1.4 BrC1=C(Br)CCC1 SC-19501 [0,2,0,0,0,0|1,0,1]=4 147 B7R1.4 CC1CCCC1=S SC-42934 [0,2,0,0,0,0|1,0,0]=3 148 B7R1.4 CC1CCCC1N SC-71052 [0,2,0,0,0,0|1,0,0]=3 149 B7R1.4 CC1OCCC1=O SC-03396 [0,2,0,0,0,0|1,0,1]=4 150 B7R1.4 CC1SCCC1=S SC-42506 [0,2,0,0,0,0|1,0,1]=4 151 B7R1.4 ClC1CCOC1Cl SC-62355 [0,2,0,0,0,0|1,0,0]=3 152 B7R1.4 NC1CCCC1N SC-66238 [0,2,0,0,0,0|1,0,0]=3 153 B7R1.4 NC1CCNC1=O SC-48795 [0,2,0,0,0,0|0,0,1]=3 154 B7R1.4 NC1CCNC1=O SC-51089 [0,2,0,0,0,0|0,0,1]=3 155 B7R1.4 NC1CONC1=O SC-11124 [0,2,0,0,0,0|1,0,1]=4 156 B7R1.4 N[C@@H]1CCC[C@@H]1O SC-27358 [0,2,0,0,0,0|1,0,0]=3 157 B7R1.4 N[C@H]1CCOC1=O SC-51606 [0,2,0,0,0,0|1,0,1]=4 158 B7R1.4 O=C1NCC[C@@H]1O SC-21960 [0,2,0,0,0,0|0,0,1]=3 159 B7R1.4 O=C1OCC[C@H]1O SC-08904 [0,2,0,0,0,0|1,0,1]=4 160 B7R1.4 O[C@H]1COC[C@H]1O SC-49236 [0,2,0,0,0,0|1,0,0]=3 161 B7R1.4 S=C1CCCC1Cl SC-42320 [0,2,0,0,0,0|1,0,0]=3 162 B7R1.4 [C@H]1(N)CCC[C@@H]1O SC-20046 [0,2,0,0,0,0|1,0,0]=3 163 B7R1.14 CC1(N)CCCC1 SC-38076 [0,2,0,0,0,0|1,0,0]=3 164 B7R1.14 CC1(O)CCCC1 SC-26720 [0,2,0,0,0,0|1,0,0]=3 165 B5R1.3 CC[C@H]1CO1 SC-21973 [0,0,1,1,0,0|1,0,0]=3 166 B5R1.3 OCC1CS1 SC-70773 [0,0,1,1,0,0|2,0,0]=4 167 B5R1.4 CC1CC1N SC-88485 [0,0,1,1,0,0|0,0,0]=2 168 B7R1.24 C1CNCCOC1 SC-72124 [0,0,0,0,0,2|0,0,0]=2