0 B9R1.6 CC(=O)C1=CC=CC=C1 SC-32943 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 CC(=O)C1=NC=CC=C1 SC-19071 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.6 CC(=O)C1CCCCC1 SC-28527 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 NC(=O)C1CCCCN1 SC-13181 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 O=C(Cl)C1=CCCCC1 SC-61008 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 O=C(O)C1=CCCCC1 SC-44267 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 O=C(O)C1=CCCCO1 SC-26873 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 O=C(O)C1=CCCOC1 SC-35927 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.6 O=C(O)C1=CCCSC1 SC-51278 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 O=C(O)C1=CCNCC1 SC-49604 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 O=C(O)C1=CCNCC1 SC-49605 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 O=C(O)C1CNCCN1 SC-03270 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.2 O=CC1=CCCCC1 SC-49393 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.2 O=CC1CCCSC1 SC-57996 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.15 COC(=O)C1CCCCN1 SC-04400 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.15 COC(=O)[C@@H]1CNCCN1 SC-50371 [0,1,0,0,0,0|1,0,2]=4 16 B10R1.15 COC(=O)[C@H]1CCCCN1 SC-32893 [0,1,0,0,0,0|1,0,2]=4 17 B10R1.15 NNC(=O)C1=CCCCC1 SC-39715 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [0,0,1,0,0,0|2,0,1]=4 19 B8R1.7 CC(=O)C1=CC=CS1 SC-07143 [0,0,0,0,1,0|1,0,2]=4 20 B8R1.7 CC(=O)C1=CN=NS1 SC-20616 [0,0,0,0,1,0|3,0,0]=4 21 B8R1.7 CC(=O)C1=NC=CN1 SC-24067 [0,0,0,0,1,0|1,0,2]=4 22 B8R1.7 CC(=O)C1=NC=NN1 SC-49339 [0,0,0,0,1,0|2,0,1]=4 23 B8R1.7 CC(=O)C1=NN=NN1 SC-51488 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.7 CC(=O)C1CCCC1 SC-34558 [0,0,0,0,1,0|1,0,2]=4 25 B8R1.7 CC(=S)C1=CCCS1 SC-42218 [0,0,0,0,1,0|1,1,0]=3 26 B8R1.7 NC(=O)C1=CSC=C1 SC-34865 [0,0,0,0,1,0|1,0,2]=4 27 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [0,0,0,0,1,0|1,0,2]=4 28 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [0,0,0,0,1,0|2,0,0]=3 29 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [0,0,0,0,1,0|1,0,2]=4 30 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [0,0,0,0,1,0|1,0,2]=4 31 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [0,0,0,0,1,0|1,0,2]=4 32 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [0,0,0,0,1,0|1,0,2]=4 33 B7R0.4 CC(=O)NCCCN SC-51489 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.4 COC\C=C/C(C)=O SC-66315 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.13 CCO\C=C(/C#N)C(C)=O SC-34309 [0,1,1,0,0,0|0,1,1]=4 38 B9R1.11 COC(=O)C1=CSC=C1 SC-52594 [0,1,0,0,1,0|0,0,2]=4 39 B9R1.11 COC(=O)C1=CSC=N1 SC-52057 [0,1,0,0,1,0|0,0,2]=4 40 B9R1.11 COC(=O)C1C=CCN1 SC-51004 [0,1,0,0,1,0|0,0,2]=4 41 B9R1.11 NNC(=O)C1=CCCC1 SC-40083 [0,1,0,0,1,0|2,0,0]=4 42 B9R1.11 O=C(CBr)C1=CC=CN1 SC-24658 [0,1,0,0,1,0|0,0,2]=4 43 B9R1.35 CC(=O)C1=CSC(N)=N1 SC-28232 [0,1,0,0,1,0|0,0,2]=4 44 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,1,0,0,1,0|2,0,0]=4 45 B9R1.13 O=[N+]([O-])\C=C1\NCCS1 SC-48512 [0,0,1,1,0,0|2,0,0]=4 46 B7R1.1 CSC1=NCCS1 SC-21995 [1,0,0,0,1,0|1,0,1]=4 47 B7R1.18 O=C(O)C1CCN1 SC-53260 [0,0,0,0,2,0|1,0,1]=4