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<Title>Fragments against Mpro of COVID19</Title>
<Description><![CDATA[https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem/Downloads.html]]></Description></Summary>
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<Cell id="4"><![CDATA[Z1275599911]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCCC2(C1)CCCCCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=4.1689,-0.6185;0,0,i2
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<Cell id="4"><![CDATA[Z818727262]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.3062,2.3930;0,0,i2
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C=0.3666,-0.6064;0,0,i2
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2-4=1,0
4-5=1,0
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<Cell id="3"><![CDATA[Mpro-x0039]]></Cell>
<Cell id="4"><![CDATA[Z1454840342]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCOC(CO)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.5669,0.0000;0,0,i0
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C=2.2678,0.9820;0,0,i1
C=3.6852,1.4730;0,0,i1
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C=4.5356,-0.9820;0,0,i1
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2-3=1,0
2-4=1,0
4-5=1,0
5-6=1,0
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<Cell id="4"><![CDATA[Z1563512128]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.0516,0.6207;0,0,i0
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<Cell id="4"><![CDATA[Z55671900]]></Cell>
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C=-1.8306,0.0000;0,0,i0
C=-1.0806,-1.2990;0,0,i1
C=0.4194,-1.2990;0,0,i1
C=1.1694,0.0000;0,0,i0
C=0.4194,1.2990;0,0,i1
C=-1.0806,1.2990;0,0,i1
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.5000,-0.0000;0,0,i0
C=2.2500,1.2990;0,0,i1
C=3.7500,1.2990;0,0,i1
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<Cell id="4"><![CDATA[Z1650868495]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CC(=CC1)N2CCN(CC2)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.0576,-0.8204;0,0,i1
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C=2.1303,0.7081;0,0,i0
O=2.1385,-0.7918;0,0,i0
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4-5=1,0
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6-7=1,0
6-8=1,0
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10-11=1,0
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11-13=1,0
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.0000,-0.7238;0,0,i1
C=1.2135,0.1579;0,0,i0
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C=2.6401,-0.3056;0,0,i0
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1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=2,0
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<Cell id="4"><![CDATA[Z2510259379]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.1832,-0.6337;0,0,i0
C=-1.6206,0.7568;0,0,i1
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C=0.7878,-0.2176;0,0,i0
C=0.2252,-1.6081;0,0,i1
C=-1.2603,-1.8161;0,0,i1
C=2.2733,-0.0096;0,0,i0
C=3.1962,-1.1920;0,0,i1
C=4.6817,-0.9840;0,0,i1
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C=4.3214,1.5890;0,0,i1
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1-2=1,0
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2-4=1,0
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<Cell id="4"><![CDATA[Z2856434779]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=0.5066,2.4030;0,0,i1
C=1.7712,1.5962;0,0,i1
C=1.7047,0.0977;0,0,i0
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C=2.9693,-0.7091;0,0,i0
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2-3=1,0
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3-5=1,0
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<Cell id="4"><![CDATA[Z1816233707]]></Cell>
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C=-2.5241,1.5511;0,0,i1
C=-1.4284,0.5267;0,0,i0
C=0.0066,0.9634;0,0,i2
C=1.1023,-0.0610;0,0,i2
C=2.5373,0.3757;0,0,i0
C=1.9530,1.7572;0,0,i3
N=3.8502,1.1012;0,0,i1
C=4.9459,0.0768;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
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6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
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11-12=1,0
12-13=2,0
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14-15=1,0
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17-18=2,0
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<Cell id="3"><![CDATA[Mpro-x0048]]></Cell>
<Cell id="4"><![CDATA[Z56772132]]></Cell>
<Cell id="5"><![CDATA[COC=1C=CC(CCC2(C)NC(=O)NC2=O)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.6197,-1.6143;0,0,i2
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C=1.1301,2.2361;0,0,i1
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<Cell id="3"><![CDATA[Mpro-x0049]]></Cell>
<Cell id="4"><![CDATA[Z2856434839]]></Cell>
<Cell id="5"><![CDATA[CCN1N=CC=C1CNC]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"/>
<Cell id="9"/>
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C=2.5512,-0.0158;0,0,i0
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C=0.8382,-1.9692;0,0,i1
C=-2.5451,0.9978;0,0,i0
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4-5=2,0
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10-11=2,0
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<Cell id="3"><![CDATA[Mpro-x0050]]></Cell>
<Cell id="4"><![CDATA[Z19739650]]></Cell>
<Cell id="5"><![CDATA[CC(OC=1C=CC(C#N)=CC1)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.5104,1.6344;0,0,i1
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C=2.6577,-0.6966;0,0,i1
C=1.3119,-1.3590;0,0,i0
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2-3=1,0
3-4=1,0
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5-6=1,0
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9-10=1,0
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<Cell id="3"><![CDATA[Mpro-x0051]]></Cell>
<Cell id="4"><![CDATA[Z1432018343]]></Cell>
<Cell id="5"><![CDATA[C[C@@H](CO)NC=1N=CC(Cl)=CC1F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.4881,1.2135;0,0,i1
C=0.0615,0.7500;0,0,i0
C=-1.1520,1.6317;0,0,i0
O=-2.5223,1.0216;0,0,i0
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C=0.0615,-0.7500;0,0,i0
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C=-1.1520,-1.6317;0,0,i1
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2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
5-7=1,0
4-8=1,0
8-9=2,0
8-10=1,0
10-11=1,0
10-12=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0052]]></Cell>
<Cell id="4"><![CDATA[Z1515654336]]></Cell>
<Cell id="5"><![CDATA[CN1C=C(C(=O)N)C(=N1)C(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.71]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.0559,0.2920;0,0,i0
N=1.2958,1.5851;0,0,i0
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C=-2.9121,-0.2514;0,0,i0
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C=-4.2052,-1.0115;0,0,i3
N=1.0610,-0.8305;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
8-10=1,0
6-11=2,0
11-3=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0053]]></Cell>
<Cell id="4"><![CDATA[Z26804467]]></Cell>
<Cell id="5"><![CDATA[CSC1=NSC(NC(=O)C)=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.7]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-4.6764,0.2244;0,0,i0
O=-4.1767,1.6388;0,0,i0
N=-3.7013,-0.9155;0,0,i1
C=-2.2267,-0.6410;0,0,i0
C=-1.7270,0.7733;0,0,i1
C=-0.2523,1.0478;0,0,i1
C=0.7227,-0.0921;0,0,i0
C=0.2230,-1.5064;0,0,i1
C=-1.2516,-1.7809;0,0,i1
C=2.1974,0.1823;0,0,i0
C=2.8421,1.5367;0,0,i1
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C=4.6039,-0.1327;0,0,i0
N=5.9583,-0.7774;0,0,i2
N=3.2862,-0.8494;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
8-11=1,0
11-12=2,0
12-13=1,0
13-14=1,0
14-15=1,0
14-16=2,0
5-10=1,0
16-11=1,0
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<Cell id="3"><![CDATA[Mpro-x0054]]></Cell>
<Cell id="4"><![CDATA[Z48847594]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC=1C=CC(=CC1)C2=CSC(N)=N2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.68]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.4019,-0.8107;0,0,i1
N=-1.9441,0.5879;0,0,i1
C=-3.4264,0.8176;0,0,i0
O=-4.3665,-0.3513;0,0,i0
C=-3.9687,2.2161;0,0,i3
C=0.0804,-1.0404;0,0,i0
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N=2.2466,-2.1350;0,0,i0
C=2.4763,-0.6527;0,0,i0
C=3.7316,0.1685;0,0,i1
C=3.6480,1.6662;0,0,i1
C=2.3093,2.3427;0,0,i1
C=1.0540,1.5215;0,0,i1
N=1.1375,0.0238;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
2-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-7=1,0
15-10=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0055]]></Cell>
<Cell id="4"><![CDATA[Z131516158]]></Cell>
<Cell id="5"><![CDATA[CC(NC(=O)C)C1=NN=C2C=CC=CN12]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.67]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=4.5000,-0.0000;0,0,i0
O=5.2500,1.2990;0,0,i0
N=3.0000,-0.0000;0,0,i0
C=2.2500,-1.2990;0,0,i2
C=0.7500,-1.2990;0,0,i2
N=0.0000,-0.0000;0,0,i0
C=0.7500,1.2990;0,0,i2
C=2.2500,1.2990;0,0,i2
C=-1.5000,-0.0000;0,0,i0
C=-2.2500,1.2990;0,0,i1
C=-3.7500,1.2990;0,0,i1
C=-4.5000,0.0000;0,0,i0
Cl=-6.0000,-0.0000;0,0,i0
C=-3.7500,-1.2990;0,0,i1
C=-2.2500,-1.2990;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
13-15=1,0
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9-4=1,0
10-16=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0056]]></Cell>
<Cell id="4"><![CDATA[Z275165822]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCN(CC1)C=2C=CC(Cl)=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.04]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-2.5981,-0.6250;0,0,i0
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C=-1.2990,1.6250;0,0,i2
C=0.0000,2.3750;0,0,i2
C=1.2990,1.6250;0,0,i2
C=1.2990,0.1250;0,0,i1
C=-0.0000,-0.6250;0,0,i2
C=2.5981,-0.6250;0,0,i0
O=3.8971,0.1250;0,0,i0
N=2.5981,-2.1250;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
8-10=1,0
10-11=2,0
10-12=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0057]]></Cell>
<Cell id="4"><![CDATA[Z220816104]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCCC(C1)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.87]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.6815,-0.4411;0,0,i1
C=1.9284,-1.2750;0,0,i2
C=3.1067,-0.3469;0,0,i2
C=2.5882,1.0606;0,0,i2
C=1.0893,1.0024;0,0,i2
1-2=1,0
2-3=2,0
2-4=2,0
2-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0058]]></Cell>
<Cell id="4"><![CDATA[Z53825479]]></Cell>
<Cell id="5"><![CDATA[CS(=O)(=O)NC1CCCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.5967,-0.9304;0,0,i0
C=1.4064,-2.1930;0,0,i1
C=2.9048,-2.1231;0,0,i1
C=3.5934,-0.7905;0,0,i0
N=5.0918,-0.7206;0,0,i0
C=5.7804,0.6120;0,0,i1
C=4.9706,1.8747;0,0,i1
C=3.4723,1.8047;0,0,i1
C=2.7836,0.4722;0,0,i0
C=1.2853,0.4022;0,0,i1
C=-3.2098,0.1924;0,0,i0
C=-4.0196,1.4551;0,0,i1
C=-5.5180,1.3851;0,0,i1
C=-6.2066,0.0525;0,0,i1
C=-5.3968,-1.2101;0,0,i1
C=-3.8984,-1.1402;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
2-14=1,0
14-15=2,0
15-16=1,0
16-17=2,0
17-18=1,0
18-19=2,0
4-13=1,0
7-12=1,0
14-19=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0059]]></Cell>
<Cell id="4"><![CDATA[Z453319206]]></Cell>
<Cell id="5"><![CDATA[O=C(NC=1C=CC=2N=CC=CC2C1)C=3C=CC=CC3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.6287,0.1545;0,0,i0
O=-2.7856,1.6462;0,0,i0
C=-3.8421,-0.7273;0,0,i3
C=-0.0448,0.4262;0,0,i0
C=-0.2017,1.9180;0,0,i1
C=1.0117,2.7998;0,0,i1
C=2.3821,2.1898;0,0,i1
C=2.5390,0.6980;0,0,i1
C=1.3255,-0.1838;0,0,i0
C=1.4824,-1.6756;0,0,i0
O=2.8528,-2.2856;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
3-5=1,0
2-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
12-14=1,0
6-11=1,0
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<Cell id="3"><![CDATA[Mpro-x0060]]></Cell>
<Cell id="4"><![CDATA[Z223688272]]></Cell>
<Cell id="5"><![CDATA[CN(C(=O)C)C=1C=CC=CC1C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.2817,-2.0168;0,0,i2
C=-0.7858,-2.1277;0,0,i2
N=-0.2181,-0.7393;0,0,i0
C=-1.3631,0.2297;0,0,i0
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C=1.2389,-0.3825;0,0,i0
C=2.2763,-1.4659;0,0,i1
C=3.7333,-1.1091;0,0,i1
C=4.1528,0.3310;0,0,i1
C=3.1153,1.4144;0,0,i1
C=1.6584,1.0576;0,0,i0
F=0.6209,2.1410;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=2,0
6-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
7-3=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0061]]></Cell>
<Cell id="4"><![CDATA[Z1186029914]]></Cell>
<Cell id="5"><![CDATA[CNC1CCN(C1=O)C=2C=CC=CC2F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.2954,1.2147;0,0,i2
C=-0.8336,0.8784;0,0,i2
C=-0.3940,-0.5558;0,0,i1
C=-1.4162,-1.6535;0,0,i2
C=-2.8780,-1.3172;0,0,i2
C=1.0678,-0.8922;0,0,i0
C=1.6549,-2.2725;0,0,i1
N=3.1491,-2.1407;0,0,i1
C=3.4854,-0.6789;0,0,i0
C=4.7968,0.0492;0,0,i1
C=4.8220,1.5490;0,0,i1
C=3.5356,2.3207;0,0,i1
C=2.2242,1.5925;0,0,i1
C=2.1991,0.0927;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
11-12=1,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
16-17=1,0
17-18=2,0
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18-10=1,0
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<Cell id="4"><![CDATA[Z223388508]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCC(CC1)C2=CNC=3C=CC=CC23]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.07]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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N=-2.7184,-0.1115;0,0,i0
C=-2.3710,1.3477;0,0,i2
C=-0.9335,1.7764;0,0,i2
N=0.1565,0.7459;0,0,i0
C=-0.1910,-0.7133;0,0,i2
C=-1.6284,-1.1420;0,0,i2
C=1.5939,1.1746;0,0,i0
O=1.9413,2.6338;0,0,i0
C=2.6839,0.1441;0,0,i0
C=4.1583,0.4203;0,0,i1
C=4.8765,-0.8966;0,0,i1
C=3.8460,-1.9866;0,0,i1
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2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
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14-15=2,0
15-16=1,0
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<Cell id="3"><![CDATA[Mpro-x0063]]></Cell>
<Cell id="4"><![CDATA[Z198194396]]></Cell>
<Cell id="5"><![CDATA[NC(=O)N1CCN(CC1)C(=O)C2=CC=CO2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"/>
<Cell id="9"/>
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C=-1.4570,-0.2165;0,0,i0
C=-2.5949,0.7608;0,0,i1
C=-2.3176,2.2349;0,0,i1
C=-0.9023,2.7318;0,0,i1
C=0.2357,1.7545;0,0,i1
C=-0.0417,0.2804;0,0,i0
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C=2.5116,-0.2000;0,0,i0
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2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
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11-13=1,0
11-14=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0064]]></Cell>
<Cell id="4"><![CDATA[Z2856434778]]></Cell>
<Cell id="5"><![CDATA[[O-]C(=O)C=1C=CC=CC1OC(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[2.19]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.7211,-0.3895;0,0,i0
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C=1.3152,0.1336;0,0,i0
C=0.9121,1.5784;0,0,i1
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C=-1.1097,0.2356;0,0,i0
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C=-2.5545,-0.1676;0,0,i1
C=-3.6041,-1.2391;0,0,i2
C=-4.0073,0.2057;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
10-11=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0065]]></Cell>
<Cell id="4"><![CDATA[Z1407672867]]></Cell>
<Cell id="5"><![CDATA[NC(=O)C1=CNC(=N1)C2CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.02]]></Cell>
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C=-1.2101,0.2149;0,0,i0
C=-2.5425,-0.4741;0,0,i0
O=-2.6120,-1.9725;0,0,i0
N=-3.8054,0.3353;0,0,i2
C=0.1305,-0.4580;0,0,i0
C=0.5274,-1.9045;0,0,i1
C=1.9786,-2.2840;0,0,i1
C=3.0329,-1.2170;0,0,i1
C=2.6359,0.2295;0,0,i1
C=1.1847,0.6090;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
5-7=1,0
4-8=1,0
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9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0066]]></Cell>
<Cell id="4"><![CDATA[Z2697514548]]></Cell>
<Cell id="5"><![CDATA[CN1N=C(C(=O)N)C=2C=CC=CC12]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.5]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.5029,-0.3904;0,0,i1
C=-2.9510,1.0411;0,0,i2
C=-1.9352,2.1449;0,0,i2
C=-0.4715,1.8171;0,0,i2
N=-0.0235,0.3856;0,0,i0
C=-1.0392,-0.7182;0,0,i2
C=1.4403,0.0578;0,0,i0
C=1.8883,-1.3737;0,0,i1
C=3.3521,-1.7015;0,0,i1
C=4.3678,-0.5977;0,0,i1
N=3.9198,0.8338;0,0,i0
N=2.4560,1.1616;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
7-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
8-3=1,0
9-14=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0067]]></Cell>
<Cell id="4"><![CDATA[Z1139246057]]></Cell>
<Cell id="5"><![CDATA[CNC1CCCN(C1)C=2C=CC=NN2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.5]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.7922,-0.0764;0,0,i0
C=2.9297,-1.3037;0,0,i1
C=1.4356,-1.1703;0,0,i1
C=0.8040,0.1902;0,0,i0
C=1.6665,1.4175;0,0,i1
C=3.1606,1.2841;0,0,i1
N=-0.6900,0.3235;0,0,i0
C=-1.6761,-0.8068;0,0,i2
C=-3.0558,-0.2184;0,0,i1
C=-2.9225,1.2757;0,0,i2
C=-1.4604,1.6106;0,0,i0
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C=-4.3429,-0.9887;0,0,i0
O=-4.3193,-2.4885;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
6-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=2,0
11-15=1,0
15-16=2,0
15-17=1,0
3-8=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0068]]></Cell>
<Cell id="4"><![CDATA[Z57324924]]></Cell>
<Cell id="5"><![CDATA[COC=1C=CC(=CC1)N2CC(CC2=O)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.81]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=1.6181,-0.2822;0,0,i0
C=2.6124,-1.4054;0,0,i1
C=4.0822,-1.1060;0,0,i1
N=4.5577,0.3167;0,0,i0
C=3.5635,1.4398;0,0,i1
C=2.0937,1.1404;0,0,i1
C=-2.3157,0.2421;0,0,i1
C=-2.9374,-1.1230;0,0,i2
C=-4.4278,-0.9536;0,0,i2
C=-4.7272,0.5162;0,0,i2
O=-3.4219,1.2552;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
1-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
3-8=1,0
13-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0069]]></Cell>
<Cell id="4"><![CDATA[Z1267882044]]></Cell>
<Cell id="5"><![CDATA[C(NC=1C=CN=CC1)C2CCCO2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.26]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(13,13)
C=3.6346,1.2990;0,0,i3
N=2.8846,-0.0000;0,0,i0
C=3.6346,-1.2990;0,0,i3
S=1.3846,0.0000;0,0,i0
O=1.3846,1.5000;0,0,i0
O=1.3846,-1.5000;0,0,i0
N=-0.1154,-0.0000;0,0,i0
C=-0.8654,-1.2990;0,0,i2
C=-2.3654,-1.2990;0,0,i2
N=-3.1154,0.0000;0,0,i0
C=-4.6154,0.0000;0,0,i3
C=-2.3654,1.2990;0,0,i2
C=-0.8654,1.2990;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
4-6=2,0
4-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
10-12=1,0
12-13=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0070]]></Cell>
<Cell id="4"><![CDATA[Z2735592898]]></Cell>
<Cell id="5"><![CDATA[CN(C)S(=O)(=O)N1CCN(C)CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.83]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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N=-3.3943,-0.8627;0,0,i0
C=-4.3003,0.3328;0,0,i2
C=-3.7180,1.7152;0,0,i2
C=-2.2297,1.9021;0,0,i2
C=-1.3237,0.7066;0,0,i1
C=-1.9060,-0.6758;0,0,i2
O=0.1646,0.8935;0,0,i0
C=1.0706,-0.3020;0,0,i0
O=0.4883,-1.6843;0,0,i0
C=2.5590,-0.1151;0,0,i0
C=3.2826,1.1989;0,0,i1
C=4.7558,0.9167;0,0,i1
C=4.9427,-0.5716;0,0,i1
O=3.5850,-1.2093;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
6-8=1,1
8-9=1,0
9-10=2,0
9-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0071]]></Cell>
<Cell id="4"><![CDATA[Z2940170964]]></Cell>
<Cell id="5"><![CDATA[CN1CCC[C@H](C1)OC(=O)C2=CC=CO2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.85]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.6422,-0.8798;0,0,i2
C=-3.3007,-0.2087;0,0,i0
C=-1.9693,-0.8995;0,0,i1
N=-0.9008,0.1532;0,0,i0
N=-1.5719,1.4947;0,0,i0
N=-3.0551,1.2711;0,0,i0
C=0.5789,-0.0924;0,0,i0
C=1.1061,-1.4967;0,0,i1
C=2.5859,-1.7423;0,0,i1
C=3.5385,-0.5836;0,0,i0
Cl=5.0182,-0.8292;0,0,i0
C=3.0113,0.8207;0,0,i0
Cl=3.9638,1.9795;0,0,i0
C=1.5315,1.0663;0,0,i1
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=1,0
6-7=2,0
5-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
11-13=1,0
13-14=1,0
13-15=2,0
7-3=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0073]]></Cell>
<Cell id="4"><![CDATA[Z1891776064]]></Cell>
<Cell id="5"><![CDATA[OCC1=CN(N=N1)C=2C=CC(Cl)=C(Cl)C2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
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<Cell id="1"><![CDATA[SketchEl!(10,10)
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C=-2.7747,-1.1501;0,0,i2
N=-1.5752,-0.2496;0,0,i0
C=-0.1415,-0.6907;0,0,i1
C=0.7211,0.5365;0,0,i0
C=2.2209,0.5600;0,0,i2
C=2.9911,-0.7272;0,0,i2
O=4.4909,-0.7037;0,0,i1
C=-0.1795,1.7361;0,0,i1
N=-1.5987,1.2503;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
5-9=1,0
9-10=2,0
10-3=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0074]]></Cell>
<Cell id="4"><![CDATA[Z1674937530]]></Cell>
<Cell id="5"><![CDATA[CCN1C=C(CCO)C=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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<Cell id="1"><![CDATA[SketchEl!(10,10)
C=3.7908,-1.3638;0,0,i3
C=3.2676,0.0420;0,0,i2
N=1.7885,0.2918;0,0,i0
C=1.1212,1.6352;0,0,i1
C=-0.3626,1.4157;0,0,i1
C=-0.6124,-0.0633;0,0,i0
C=-1.9558,-0.7306;0,0,i2
N=-3.2054,0.0992;0,0,i1
C=-4.5488,-0.5681;0,0,i3
N=0.7171,-0.7580;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
6-10=2,0
10-3=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0075]]></Cell>
<Cell id="4"><![CDATA[Z2856434888]]></Cell>
<Cell id="5"><![CDATA[CCN1C=CC(CNC)=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.3775,-0.7500;0,0,i0
C=2.0785,-1.5000;0,0,i2
N=0.7794,-0.7500;0,0,i0
C=-0.5196,-1.5000;0,0,i2
C=-1.8187,-0.7500;0,0,i0
C=-1.8187,0.7500;0,0,i1
C=-3.1177,1.5000;0,0,i1
C=-4.4167,0.7500;0,0,i1
C=-4.4167,-0.7500;0,0,i1
C=-3.1177,-1.5000;0,0,i1
C=0.7794,0.7500;0,0,i2
C=2.0785,1.5000;0,0,i0
O=2.0785,3.0000;0,0,i0
N=3.3775,0.7500;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
4-12=1,0
12-13=1,0
13-14=2,0
13-15=1,0
15-2=1,0
6-11=1,0
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<Cell id="3"><![CDATA[Mpro-x0076]]></Cell>
<Cell id="4"><![CDATA[Z2856434910]]></Cell>
<Cell id="5"><![CDATA[O=C1CN(CC=2C=CC=CC2)CC(=O)N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.74]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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S=2.0455,0.0000;0,0,i0
O=2.0455,1.5000;0,0,i0
O=2.0455,-1.5000;0,0,i0
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C=-0.2045,-1.2990;0,0,i2
C=-1.7045,-1.2990;0,0,i2
C=-2.4545,0.0000;0,0,i1
O=-3.9545,0.0000;0,0,i1
C=-1.7045,1.2990;0,0,i2
C=-0.2045,1.2990;0,0,i2
1-2=1,0
2-3=2,0
2-4=2,0
2-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
8-10=1,0
10-11=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0077]]></Cell>
<Cell id="4"><![CDATA[Z1247413608]]></Cell>
<Cell id="5"><![CDATA[CS(=O)(=O)N1CCC(O)CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.5833,1.2990;0,0,i3
C=0.3333,-0.0000;0,0,i0
C=-0.4167,-1.2990;0,0,i1
C=-1.9167,-1.2990;0,0,i1
N=-2.6667,0.0000;0,0,i0
C=-1.9167,1.2990;0,0,i1
C=-0.4167,1.2990;0,0,i1
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
4-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0078]]></Cell>
<Cell id="4"><![CDATA[Z2856434762]]></Cell>
<Cell id="5"><![CDATA[CN(C)C=1C=CN=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="137">
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C=0.3645,-0.4899;0,0,i1
C=1.3770,0.6168;0,0,i2
S=2.8417,0.2933;0,0,i0
O=3.1653,1.7579;0,0,i0
O=2.5181,-1.1714;0,0,i0
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C=-1.1002,-0.1663;0,0,i0
C=-2.1128,-1.2730;0,0,i1
C=-3.5775,-0.9494;0,0,i1
C=-4.0296,0.4808;0,0,i1
C=-3.0171,1.5875;0,0,i1
C=-1.5524,1.2639;0,0,i1
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=2,0
4-7=1,0
2-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
8-13=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0079]]></Cell>
<Cell id="4"><![CDATA[Z1407673036]]></Cell>
<Cell id="5"><![CDATA[CC(CS(=O)(=O)N)C=1C=CC=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.43]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.0000,0.0000;0,0,i0
O=3.7500,1.2990;0,0,i0
N=1.5000,-0.0000;0,0,i0
C=0.7500,-1.2990;0,0,i2
C=-0.7500,-1.2990;0,0,i2
N=-1.5000,0.0000;0,0,i0
C=-0.7500,1.2990;0,0,i2
C=0.7500,1.2990;0,0,i2
C=-3.0000,0.0000;0,0,i0
O=-3.7500,-1.2990;0,0,i0
N=-3.7500,1.2990;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
10-12=1,0
9-4=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0080]]></Cell>
<Cell id="4"><![CDATA[Z90122368]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCN(CC1)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.85]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(12,12)
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C=-2.3797,0.3360;0,0,i0
O=-2.6841,-1.1328;0,0,i0
N=-0.9554,0.8067;0,0,i1
C=0.1643,-0.1913;0,0,i0
C=-0.8337,-1.3111;0,0,i3
C=1.1624,0.9284;0,0,i1
C=2.5866,1.3991;0,0,i2
C=1.4669,2.3972;0,0,i2
C=1.2841,-1.1894;0,0,i0
O=2.7083,-0.7187;0,0,i0
O=0.9796,-2.6582;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
5-7=1,0
7-8=1,0
8-9=1,0
5-10=1,0
10-11=2,0
10-12=1,0
9-7=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0081]]></Cell>
<Cell id="4"><![CDATA[Z1259162160]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC(C)(C1CC1)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.18]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="140">
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C=-3.7466,-1.2302;0,0,i3
C=-2.3762,-0.6202;0,0,i1
O=-1.1627,-1.5020;0,0,i0
C=0.2076,-0.8920;0,0,i0
C=0.3645,0.5998;0,0,i1
C=1.7349,1.2098;0,0,i1
C=2.9483,0.3280;0,0,i0
Cl=4.3187,0.9380;0,0,i0
C=2.7914,-1.1638;0,0,i1
C=1.4211,-1.7738;0,0,i1
C=-2.2193,0.8715;0,0,i0
O=-0.8489,1.4815;0,0,i0
N=-3.4328,1.7533;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
7-9=1,0
9-10=2,0
2-11=1,0
11-12=2,0
11-13=1,0
4-10=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0082]]></Cell>
<Cell id="4"><![CDATA[Z19727416]]></Cell>
<Cell id="5"><![CDATA[CC(OC=1C=CC(Cl)=CC1)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.78]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-3.6840,-0.4872;0,0,i1
N=-3.8308,-1.9800;0,0,i2
C=-2.3178,0.1320;0,0,i0
C=-1.0138,-0.6092;0,0,i1
N=0.0942,0.4019;0,0,i0
N=-0.5251,1.7681;0,0,i0
N=-2.0158,1.6013;0,0,i0
C=1.5635,0.0999;0,0,i0
C=2.0365,-1.3236;0,0,i1
C=3.5058,-1.6256;0,0,i1
C=4.5020,-0.5042;0,0,i1
C=4.0290,0.9192;0,0,i1
C=2.5597,1.2213;0,0,i1
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
6-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
8-4=1,0
9-14=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0083]]></Cell>
<Cell id="4"><![CDATA[Z2527301677]]></Cell>
<Cell id="5"><![CDATA[CC(N)C1=CN(N=N1)C=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.72]]></Cell>
<Cell id="9"/>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(13,13)
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C=-2.8417,0.2933;0,0,i0
F=-3.1653,1.7579;0,0,i0
F=-2.5181,-1.1714;0,0,i0
C=-1.3770,0.6168;0,0,i2
C=-0.3645,-0.4899;0,0,i0
O=-0.8166,-1.9201;0,0,i0
N=1.1002,-0.1663;0,0,i0
C=1.5524,1.2639;0,0,i2
C=3.0171,1.5875;0,0,i2
N=4.0296,0.4808;0,0,i1
C=3.5775,-0.9494;0,0,i2
C=2.1128,-1.2730;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
2-5=1,0
5-6=1,0
6-7=2,0
6-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-8=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0085]]></Cell>
<Cell id="4"><![CDATA[Z1262246195]]></Cell>
<Cell id="5"><![CDATA[FC(F)(F)CC(=O)N1CCNCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[4]]></Cell>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="143">
<Cell id="1"><![CDATA[SketchEl!(12,12)
C=3.1490,-1.7885;0,0,i3
C=2.8562,-0.3173;0,0,i1
C=3.9839,0.6718;0,0,i3
N=1.4358,0.1647;0,0,i0
C=0.9909,1.5972;0,0,i1
N=-0.5090,1.6167;0,0,i0
C=-0.9910,0.1963;0,0,i0
C=0.2109,-0.7011;0,0,i1
S=-2.4235,-0.2487;0,0,i0
O=-2.8685,1.1838;0,0,i0
O=-1.9786,-1.6812;0,0,i0
N=-3.8560,-0.6936;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=2,0
9-11=2,0
9-12=1,0
8-4=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0086]]></Cell>
<Cell id="4"><![CDATA[Z1509882419]]></Cell>
<Cell id="5"><![CDATA[CC(C)N1C=NC(=C1)S(=O)(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.03]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(14,14)
C=-5.3860,-0.4910;0,0,i3
C=-3.9686,0.0000;0,0,i0
O=-3.6852,1.4730;0,0,i0
N=-2.8347,-0.9820;0,0,i1
C=-1.4174,-0.4910;0,0,i0
C=-1.1339,0.9820;0,0,i1
C=0.2835,1.4730;0,0,i1
C=1.4174,0.4910;0,0,i0
C=2.8347,0.9820;0,0,i2
C=3.9686,-0.0000;0,0,i0
O=3.6852,-1.4730;0,0,i0
N=5.3860,0.4910;0,0,i2
C=1.1339,-0.9820;0,0,i1
C=-0.2835,-1.4730;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=1,0
10-11=2,0
10-12=1,0
8-13=1,0
13-14=2,0
5-14=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0087]]></Cell>
<Cell id="4"><![CDATA[Z87615031]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC=1C=CC(CC(=O)N)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.22]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(15,16)
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C=-2.2504,-2.5190;0,0,i2
O=-1.1159,-1.5378;0,0,i0
C=-1.3985,-0.0646;0,0,i0
C=-2.8156,0.4273;0,0,i1
C=-3.0981,1.9004;0,0,i1
C=-1.9636,2.8817;0,0,i1
C=-0.5466,2.3898;0,0,i1
C=-0.2640,0.9167;0,0,i0
N=1.1531,0.4248;0,0,i0
C=1.4356,-1.0483;0,0,i2
C=2.8527,-1.5402;0,0,i2
N=3.9872,-0.5589;0,0,i1
C=3.7046,0.9142;0,0,i2
C=2.2875,1.4061;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
14-15=1,0
4-9=1,0
15-10=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0088]]></Cell>
<Cell id="4"><![CDATA[Z425387594]]></Cell>
<Cell id="5"><![CDATA[CCOC=1C=CC=CC1N2CCNCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.87]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(15,16)
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C=-3.4503,0.3245;0,0,i0
O=-3.6338,-1.1643;0,0,i0
N=-2.0693,0.9100;0,0,i1
C=-0.8718,0.0067;0,0,i0
C=-1.0552,-1.4821;0,0,i1
C=0.1423,-2.3853;0,0,i1
C=1.5233,-1.7999;0,0,i0
C=2.7209,-2.7031;0,0,i3
C=1.7068,-0.3111;0,0,i0
N=3.0878,0.2744;0,0,i1
C=3.2713,1.7631;0,0,i2
C=2.0738,2.6664;0,0,i2
C=0.6928,2.0809;0,0,i2
C=0.5093,0.5922;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
8-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
14-15=1,0
5-15=1,0
15-10=2,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0089]]></Cell>
<Cell id="4"><![CDATA[Z1650168321]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC=1C=CC(C)=C2NCCCC12]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.67]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(18,20)
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C=-0.3154,-0.0813;0,0,i0
C=-1.5094,-0.9892;0,0,i2
C=-2.8927,-0.4091;0,0,i0
C=-3.0819,1.0790;0,0,i1
C=-4.4652,1.6591;0,0,i1
C=-5.6592,0.7512;0,0,i1
C=-5.4700,-0.7368;0,0,i1
C=-4.0867,-1.3169;0,0,i1
N=1.0679,-0.6615;0,0,i0
C=1.4116,-2.1216;0,0,i2
C=2.9065,-2.2459;0,0,i2
C=3.4866,-0.8626;0,0,i0
C=4.9028,-0.3682;0,0,i1
C=5.1827,1.1055;0,0,i1
C=4.0464,2.0847;0,0,i1
C=2.6302,1.5903;0,0,i1
C=2.3503,0.1166;0,0,i0
1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
2-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
16-17=1,0
17-18=2,0
4-9=1,0
18-10=1,0
13-18=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0090]]></Cell>
<Cell id="4"><![CDATA[Z30624464]]></Cell>
<Cell id="5"><![CDATA[O=C(CC=1C=CC=CC1)N2CCC=3C=CC=CC23]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.54]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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4-5=2,0
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<Cell id="4"><![CDATA[Z94597856]]></Cell>
<Cell id="5"><![CDATA[CN(C)S(=O)(=O)C=1C(C)=NNC1C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.6000,-0.0000;0,0,i0
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C=0.3500,1.2990;0,0,i1
C=1.8500,1.2990;0,0,i1
C=-1.9000,-0.0000;0,0,i0
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2-3=1,0
2-4=1,0
4-5=2,0
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<Cell id="4"><![CDATA[Z1696822287]]></Cell>
<Cell id="5"><![CDATA[CC(N)C=1C=CC(=CC1)C=2C=NC=NC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.6130,-0.2151;0,0,i0
C=1.3001,-1.5485;0,0,i1
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C=3.6096,-0.3584;0,0,i1
C=2.9225,0.9750;0,0,i1
C=1.4242,1.0466;0,0,i0
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1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
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5-7=2,0
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10-11=2,0
11-12=1,0
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<Cell id="3"><![CDATA[Mpro-x0093]]></Cell>
<Cell id="4"><![CDATA[Z1270312110]]></Cell>
<Cell id="5"><![CDATA[CC1=NNC(C)=C1C=2C=CC=CC2N]]></Cell>
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<Cell id="9"/>
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C=0.7077,1.1415;0,0,i2
C=2.1662,1.4916;0,0,i2
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C=2.7726,-1.0347;0,0,i2
C=1.3141,-1.3849;0,0,i2
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2-3=2,0
2-4=1,0
4-5=1,0
4-6=1,0
6-7=1,0
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8-9=1,0
9-10=1,0
10-11=1,0
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<Cell id="3"><![CDATA[Mpro-x0094]]></Cell>
<Cell id="4"><![CDATA[Z1312590981]]></Cell>
<Cell id="5"><![CDATA[NC(=O)C(O)C1CCOCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.68]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.5363,-0.5646;0,0,i0
C=-4.4319,0.9318;0,0,i1
C=-3.0839,1.5896;0,0,i1
C=-1.8401,0.7511;0,0,i0
C=-0.4921,1.4089;0,0,i2
C=0.7516,0.5703;0,0,i0
O=0.6473,-0.9260;0,0,i0
N=2.0997,1.2282;0,0,i1
C=3.3434,0.3896;0,0,i0
N=4.7529,0.9029;0,0,i0
C=5.6766,-0.2789;0,0,i1
C=4.8380,-1.5226;0,0,i1
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C=-1.9445,-0.7453;0,0,i1
C=-3.2925,-1.4031;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
5-15=1,0
15-16=2,0
2-16=1,0
14-10=1,0
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<Cell id="3"><![CDATA[Mpro-x0095]]></Cell>
<Cell id="4"><![CDATA[Z90713255]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CC(CC(=O)NC2=NC=CS2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.14]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.8768,-0.1878;0,0,i0
O=-3.1719,-1.6585;0,0,i0
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C=-0.3295,-0.6988;0,0,i2
C=1.0917,-0.2190;0,0,i0
C=1.3868,1.2517;0,0,i0
F=0.2606,2.2425;0,0,i0
C=2.8080,1.7315;0,0,i1
C=3.9341,0.7406;0,0,i1
C=3.6390,-0.7301;0,0,i1
C=2.2178,-1.2099;0,0,i0
Cl=1.9228,-2.6806;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
3-5=1,0
5-6=1,0
6-7=1,0
7-8=2,0
8-9=1,0
8-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0096]]></Cell>
<Cell id="4"><![CDATA[Z933840894]]></Cell>
<Cell id="5"><![CDATA[CNC(=O)NCC=1C(F)=CC=CC1Cl]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.16]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.1653,-0.5736;0,0,i0
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C=-1.4851,-3.1519;0,0,i3
C=0.9077,-2.1397;0,0,i2
C=1.8119,-0.9429;0,0,i0
C=3.3116,-0.9709;0,0,i1
N=3.8017,0.4468;0,0,i0
N=2.6049,1.3510;0,0,i0
C=2.6329,2.8507;0,0,i3
C=1.3751,0.4921;0,0,i1
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=2,0
5-7=1,0
7-8=1,0
7-9=1,0
9-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=1,0
13-15=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0097]]></Cell>
<Cell id="4"><![CDATA[Z183344018]]></Cell>
<Cell id="5"><![CDATA[CC(C)NC(=O)N(C)CC=1C=NN(C)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[3.04]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=1.5404,0.0000;0,0,i0
C=1.5404,1.5000;0,0,i3
C=3.0404,-0.0000;0,0,i3
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C=-1.0202,-1.0607;0,0,i2
C=-2.0809,0.0000;0,0,i1
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C=-1.0202,1.0607;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
2-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
7-9=1,0
9-5=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0098]]></Cell>
<Cell id="4"><![CDATA[Z2856434900]]></Cell>
<Cell id="5"><![CDATA[CC(C)(C)N1CC(O)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[3.25]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.6862,1.4503;0,0,i2
C=2.4141,0.6555;0,0,i0
O=2.4664,-0.8436;0,0,i0
N=1.0897,1.3597;0,0,i1
C=-0.1824,0.5649;0,0,i0
C=-1.5731,1.1269;0,0,i0
O=-2.5374,-0.0222;0,0,i0
C=-1.7425,-1.2943;0,0,i0
C=-2.1561,-2.7361;0,0,i1
C=-1.1141,-3.8152;0,0,i1
C=0.3413,-3.4524;0,0,i1
C=0.7549,-2.0105;0,0,i1
C=-0.2871,-0.9314;0,0,i0
C=-1.9359,2.5823;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
3-5=1,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
7-15=1,0
15-16=2,0
15-17=1,0
14-6=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0099]]></Cell>
<Cell id="4"><![CDATA[Z108545814]]></Cell>
<Cell id="5"><![CDATA[CCC(=O)NC1=C(OC=2C=CC=CC12)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.63]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.6883,-1.9781;0,0,i2
C=-1.4812,-0.4925;0,0,i0
C=-2.6642,0.4297;0,0,i1
C=-2.4571,1.9153;0,0,i1
C=-1.0669,2.4788;0,0,i1
C=0.1161,1.5566;0,0,i1
C=-0.0910,0.0709;0,0,i0
O=1.0920,-0.8513;0,0,i0
C=2.4822,-0.2878;0,0,i0
F=3.8723,0.2756;0,0,i0
F=3.0456,-1.6780;0,0,i0
F=1.9187,1.1023;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=1,0
10-11=1,0
10-12=1,0
10-13=1,0
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<Cell id="3"><![CDATA[Mpro-x0100]]></Cell>
<Cell id="4"><![CDATA[Z2856434776]]></Cell>
<Cell id="5"><![CDATA[NCC=1C=CC=CC1OC(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.29]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.2363,-0.1451;0,0,i0
C=-3.0988,1.3486;0,0,i1
C=-1.7365,1.9763;0,0,i1
C=-0.5117,1.1104;0,0,i0
C=0.8507,1.7382;0,0,i2
N=2.0755,0.8722;0,0,i0
C=1.9379,-0.6215;0,0,i2
C=3.1628,-1.4874;0,0,i2
C=4.5251,-0.8597;0,0,i1
O=5.7499,-1.7256;0,0,i1
C=4.6626,0.6340;0,0,i2
C=3.4378,1.5000;0,0,i2
C=-0.6492,-0.3833;0,0,i1
C=-2.0115,-1.0110;0,0,i1
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
12-14=1,0
14-15=1,0
7-16=1,0
16-17=2,0
4-17=1,0
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<Cell id="3"><![CDATA[Mpro-x0101]]></Cell>
<Cell id="4"><![CDATA[Z2856434874]]></Cell>
<Cell id="5"><![CDATA[CC(C)C=1C=CC(CN2CCC(O)CC2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
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C=3.0146,0.4469;0,0,i0
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C=0.4561,-0.0050;0,0,i0
C=0.7171,-1.4821;0,0,i1
C=-0.4317,-2.4466;0,0,i1
C=-1.8414,-1.9340;0,0,i1
C=-2.1023,-0.4569;0,0,i0
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N=-1.5159,1.8983;0,0,i0
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1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=1,0
12-13=2,0
13-5=1,0
13-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0102]]></Cell>
<Cell id="4"><![CDATA[Z2027158783]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC1=CC=CC2=NON=C12]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.08]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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<Cell id="1"><![CDATA[SketchEl!(13,13)
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C=-3.0091,1.1744;0,0,i2
C=-1.9954,0.0688;0,0,i1
C=-2.4461,-1.3619;0,0,i2
C=-3.9104,-1.6870;0,0,i3
C=-0.5311,0.3939;0,0,i0
O=-0.0804,1.8246;0,0,i0
N=0.4826,-0.7117;0,0,i1
C=1.9470,-0.3866;0,0,i0
N=3.0707,-1.3802;0,0,i0
C=4.3629,-0.6186;0,0,i1
C=4.0379,0.8458;0,0,i1
S=2.5447,0.9891;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
3-6=1,0
6-7=2,0
6-8=1,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0103]]></Cell>
<Cell id="4"><![CDATA[Z28173817]]></Cell>
<Cell id="5"><![CDATA[CCC(CC)C(=O)NC1=NC=CS1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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1-2=1,0
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1-2=1,0
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C=-2.8738,1.2734;0,0,i1
C=-2.0965,2.5563;0,0,i1
C=-0.5968,2.5246;0,0,i1
C=0.1256,1.2101;0,0,i0
C=1.6252,1.1784;0,0,i0
O=2.4025,2.4613;0,0,i0
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C=3.8473,-0.1679;0,0,i3
C=1.5704,-1.4191;0,0,i3
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2-3=1,0
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<Cell id="4"><![CDATA[Z1273312142]]></Cell>
<Cell id="5"><![CDATA[CCOC=1C(F)=CC=CC1C(=O)N(C)C]]></Cell>
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C=-0.9820,-0.0000;0,0,i0
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C=0.9820,2.2678;0,0,i1
C=1.4730,0.8504;0,0,i0
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<Cell id="4"><![CDATA[Z198195770]]></Cell>
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C=-0.1440,-0.0419;0,0,i0
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C=1.6535,1.8339;0,0,i1
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3-4=1,0
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<Cell id="4"><![CDATA[Z1992316287]]></Cell>
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C=1.1088,-0.2543;0,0,i0
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C=3.1612,1.0413;0,0,i1
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6-7=2,0
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<Cell id="4"><![CDATA[Z1667545918]]></Cell>
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<Cell id="6"><![CDATA[OK: Clear:Cracked]]></Cell>
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C=-4.4201,0.0196;0,0,i0
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C=-2.4085,1.6638;0,0,i1
C=-1.4593,0.5024;0,0,i0
N=0.0212,0.7438;0,0,i1
C=0.9705,-0.4176;0,0,i2
C=2.4509,-0.1762;0,0,i0
C=3.4002,-1.3376;0,0,i1
C=4.8807,-1.0962;0,0,i1
C=5.4118,0.3066;0,0,i1
C=4.4625,1.4680;0,0,i1
C=2.9821,1.2266;0,0,i1
C=-1.9904,-0.9004;0,0,i0
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1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
5-14=1,0
14-15=2,0
14-16=1,0
16-2=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0239]]></Cell>
<Cell id="4"><![CDATA[Z111666026]]></Cell>
<Cell id="5"><![CDATA[O=C1NC=C(NCC=2C=CC=CC2)C(=O)N1]]></Cell>
<Cell id="6"><![CDATA[OK: Clear:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
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O=-4.1689,-1.0752;0,0,i0
N=-1.8197,0.0344;0,0,i0
C=-1.0408,-1.2475;0,0,i2
C=0.4191,-0.9029;0,0,i0
C=1.6520,-1.7572;0,0,i1
C=3.0083,-1.1166;0,0,i1
C=3.1317,0.3783;0,0,i0
N=4.4880,1.0189;0,0,i2
C=1.8988,1.2326;0,0,i1
C=0.5424,0.5920;0,0,i0
C=-0.8412,1.1713;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
9-11=1,0
11-12=2,0
12-13=1,0
13-4=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0240]]></Cell>
<Cell id="4"><![CDATA[Z1354416068]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CC=2C=CC(N)=CC2C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.36]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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N=-2.6099,0.7054;0,0,i0
C=-2.1266,2.1254;0,0,i3
C=-1.6218,-0.4231;0,0,i0
O=-2.1050,-1.8432;0,0,i0
C=-0.1504,-0.1317;0,0,i0
C=0.3329,1.2884;0,0,i1
C=1.8043,1.5799;0,0,i1
C=2.7925,0.4513;0,0,i0
F=4.2639,0.7428;0,0,i0
C=2.3092,-0.9687;0,0,i1
C=0.8378,-1.2602;0,0,i0
Br=0.3545,-2.6802;0,0,i0
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
4-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
9-11=1,0
11-12=2,0
12-13=1,0
6-12=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0241]]></Cell>
<Cell id="4"><![CDATA[Z100642432]]></Cell>
<Cell id="5"><![CDATA[CN(C)C(=O)C=1C=CC(F)=CC1Br]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.76]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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O=-3.2517,-1.7927;0,0,i0
C=-2.4394,-0.5316;0,0,i0
C=-3.1254,0.8023;0,0,i1
C=-2.3132,2.0634;0,0,i1
C=-0.8150,1.9905;0,0,i1
C=-0.1290,0.6566;0,0,i0
C=-0.9412,-0.6045;0,0,i1
C=1.3693,0.5837;0,0,i1
N=2.1815,1.8447;0,0,i2
C=2.0553,-0.7503;0,0,i2
C=3.5535,-0.8231;0,0,i0
O=4.3657,0.4379;0,0,i0
O=4.2395,-2.1571;0,0,i1
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
9-11=1,0
11-12=1,0
12-13=2,0
12-14=1,0
3-8=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0242]]></Cell>
<Cell id="4"><![CDATA[Z335451386]]></Cell>
<Cell id="5"><![CDATA[COC=1C=CC=C(C1)C(N)CC(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.49]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-5.1084,1.2359;0,0,i3
C=-4.2738,-0.0105;0,0,i1
N=-4.9359,-1.3565;0,0,i2
C=-2.7771,0.0891;0,0,i0
N=-1.8168,-1.0632;0,0,i0
C=-0.4242,-0.5059;0,0,i0
C=0.8452,-1.3051;0,0,i2
C=2.1720,-0.6053;0,0,i0
C=3.4414,-1.4044;0,0,i1
C=4.7682,-0.7047;0,0,i1
C=4.8256,0.7942;0,0,i1
C=3.5562,1.5934;0,0,i1
C=2.2294,0.8936;0,0,i1
N=-0.5238,0.9908;0,0,i0
O=-1.9780,1.3585;0,0,i0
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
6-14=2,0
14-15=1,0
15-4=1,0
8-13=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0243]]></Cell>
<Cell id="4"><![CDATA[Z2442288995]]></Cell>
<Cell id="5"><![CDATA[CC(N)C1=NC(CC=2C=CC=CC2)=NO1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.8]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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N=-0.3364,-1.3190;0,0,i1
C=-1.6127,-0.5310;0,0,i0
N=-3.0004,-1.1005;0,0,i0
N=-3.9708,0.0433;0,0,i0
C=-3.1829,1.3197;0,0,i1
S=-1.7255,0.9647;0,0,i0
C=0.9842,-0.6076;0,0,i0
C=2.2606,-1.3956;0,0,i1
C=3.5812,-0.6842;0,0,i1
C=3.6254,0.8152;0,0,i1
C=2.3490,1.6031;0,0,i1
C=1.0284,0.8917;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
1-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
6-2=1,0
7-12=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0244]]></Cell>
<Cell id="4"><![CDATA[Z56347187]]></Cell>
<Cell id="5"><![CDATA[N(C1=NN=CS1)C=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.38]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.6156,-0.3077;0,0,i0
O=-3.6321,1.1922;0,0,i0
N=-2.3083,-1.0434;0,0,i1
C=-1.0177,-0.2791;0,0,i0
C=-1.0342,1.2208;0,0,i1
C=0.2565,1.9851;0,0,i1
C=1.5637,1.2495;0,0,i0
F=2.8544,2.0137;0,0,i0
C=1.5803,-0.2505;0,0,i0
C=0.2896,-1.0147;0,0,i1
C=2.8875,-0.9861;0,0,i0
O=4.1782,-0.2218;0,0,i0
O=2.9040,-2.4860;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
8-10=1,0
10-11=2,0
10-12=1,0
12-13=2,0
12-14=1,0
5-11=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0245]]></Cell>
<Cell id="4"><![CDATA[Z364321922]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC=1C=CC(F)=C(C1)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
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<Cell id="1"><![CDATA[SketchEl!(11,11)
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C=-3.4211,-0.7468;0,0,i2
C=-2.0561,-0.1249;0,0,i0
O=-1.9122,1.3682;0,0,i0
N=-0.8350,-0.9961;0,0,i1
C=0.5300,-0.3742;0,0,i0
N=1.8354,-1.1129;0,0,i0
C=2.9414,-0.0997;0,0,i0
C=4.4113,-0.3989;0,0,i3
C=2.3195,1.2653;0,0,i1
S=0.8291,1.0957;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
3-5=1,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
8-10=2,0
10-11=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0246]]></Cell>
<Cell id="4"><![CDATA[Z30820160]]></Cell>
<Cell id="5"><![CDATA[CCC(=O)NC1=NC(C)=CS1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.08]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.3179,0.1694;0,0,i2
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O=-1.3128,0.8621;0,0,i0
O=-2.6252,-1.8356;0,0,i0
N=-0.6201,-1.1429;0,0,i1
C=0.6226,-0.3028;0,0,i0
C=0.5164,1.1934;0,0,i1
C=1.7591,2.0335;0,0,i1
C=3.1079,1.3773;0,0,i1
C=3.2141,-0.1189;0,0,i1
C=1.9714,-0.9590;0,0,i0
F=2.0776,-2.4553;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
3-5=2,0
3-6=1,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
7-12=1,0
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<Cell id="3"><![CDATA[Mpro-x0247]]></Cell>
<Cell id="4"><![CDATA[Z53825177]]></Cell>
<Cell id="5"><![CDATA[CCS(=O)(=O)NC=1C=CC=CC1F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.8585,-1.0504;0,0,i0
N=-3.3576,-0.9991;0,0,i0
C=-4.0627,0.3249;0,0,i1
N=-3.2687,1.5975;0,0,i0
C=-1.7695,1.5461;0,0,i1
C=-1.0644,0.2222;0,0,i0
C=0.4347,0.1708;0,0,i0
C=1.1398,-1.1532;0,0,i1
C=2.6389,-1.2045;0,0,i1
C=3.4329,0.0681;0,0,i0
Cl=4.9320,0.0167;0,0,i0
C=2.7278,1.3920;0,0,i1
C=1.2287,1.4434;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
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7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
11-13=1,0
13-14=2,0
2-7=1,0
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!End
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<Cell id="3"><![CDATA[Mpro-x0248]]></Cell>
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C=2.5153,-0.6969;0,0,i0
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C=-0.3268,-0.7094;0,0,i0
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C=0.6070,1.7151;0,0,i1
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-4.4343,-1.6192;0,0,i2
C=-2.9346,-1.5882;0,0,i2
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<Cell id="4"><![CDATA[Z1349163663]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.3641,3.1160;0,0,i1
C=-1.0360,2.4187;0,0,i1
C=-0.9759,0.9199;0,0,i0
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C=1.6201,1.0241;0,0,i2
C=2.9482,0.3268;0,0,i0
C=3.0083,-1.1719;0,0,i1
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C=5.5442,0.4311;0,0,i1
C=4.2161,1.1283;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=1,0
12-13=1,0
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14-15=1,0
15-16=2,0
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<Cell id="3"><![CDATA[Mpro-x0307]]></Cell>
<Cell id="4"><![CDATA[Z26365442]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC=1C=CC=CC1OCC=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: Phase Separation:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.5446,1.3708;0,0,i2
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C=-1.7855,-1.3606;0,0,i2
C=1.8208,0.2961;0,0,i0
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C=2.6933,-0.9240;0,0,i2
O=4.1862,-0.7785;0,0,i1
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
5-8=1,0
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8-10=1,0
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<Cell id="3"><![CDATA[Mpro-x0308]]></Cell>
<Cell id="4"><![CDATA[Z228585842]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.1575,0.5366;0,0,i0
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C=1.7819,1.0168;0,0,i2
C=3.0263,0.1792;0,0,i1
C=4.4354,0.6936;0,0,i2
C=5.3600,-0.4875;0,0,i2
O=4.5224,-1.7319;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=1,0
4-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
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12-13=1,0
13-14=1,0
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<Cell id="3"><![CDATA[Mpro-x0309]]></Cell>
<Cell id="4"><![CDATA[Z384361454]]></Cell>
<Cell id="5"><![CDATA[CC=1C=C(ON1)C(=O)NCC2CCOC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=1.3047,1.4594;0,0,i1
C=2.3221,0.3572;0,0,i1
C=1.8762,-1.0750;0,0,i1
N=0.4129,-1.4050;0,0,i0
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
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<Cell id="3"><![CDATA[Mpro-x0310]]></Cell>
<Cell id="4"><![CDATA[Z54628578]]></Cell>
<Cell id="5"><![CDATA[CNC=1N=CC=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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C=2.7913,0.2693;0,0,i0
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C=0.8988,-1.5107;0,0,i1
C=-0.5613,-1.8544;0,0,i1
C=-1.5890,-0.7618;0,0,i0
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C=-3.5831,0.6218;0,0,i2
C=-2.3890,1.5296;0,0,i2
C=-1.1566,0.6746;0,0,i0
C=0.3035,1.0182;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
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<Cell id="3"><![CDATA[Mpro-x0311]]></Cell>
<Cell id="4"><![CDATA[Z2434225559]]></Cell>
<Cell id="5"><![CDATA[NC(=O)C=1C=CC=2NCCC2C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-3.0910,1.3175;0,0,i0
O=-4.3564,0.5120;0,0,i0
O=-3.1559,2.8161;0,0,i1
C=-0.3655,-1.5673;0,0,i0
O=-0.3006,-3.0659;0,0,i0
C=0.8998,-0.7618;0,0,i0
C=0.8349,0.7368;0,0,i1
C=2.1003,1.5423;0,0,i1
C=3.4306,0.8492;0,0,i0
F=4.6959,1.6547;0,0,i0
C=3.4955,-0.6494;0,0,i1
C=2.2301,-1.4549;0,0,i1
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
2-7=1,0
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7-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
12-14=1,0
14-15=2,0
9-15=1,0
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<Cell id="3"><![CDATA[Mpro-x0312]]></Cell>
<Cell id="4"><![CDATA[Z85895198]]></Cell>
<Cell id="5"><![CDATA[CN(CC(=O)O)C(=O)C=1C=CC(F)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.39]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.2870,0.3898;0,0,i0
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C=-5.2624,1.5294;0,0,i3
N=-3.3117,-0.7498;0,0,i1
C=-1.8371,-0.4749;0,0,i0
O=-1.3378,0.9396;0,0,i0
C=-0.8617,-1.6144;0,0,i2
N=0.6129,-1.3395;0,0,i0
C=1.7021,-2.3709;0,0,i1
C=3.0195,-1.6538;0,0,i1
C=2.7446,-0.1792;0,0,i0
N=1.2572,0.0150;0,0,i0
C=3.7760,0.9100;0,0,i0
F=4.8074,1.9991;0,0,i0
F=4.8652,-0.1214;0,0,i0
F=2.6868,1.9413;0,0,i0
1-2=1,0
2-3=1,0
2-4=1,0
2-5=1,0
5-6=1,0
6-7=2,0
6-8=1,0
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12-14=1,0
14-15=1,0
14-16=1,0
14-17=1,0
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<Cell id="3"><![CDATA[Mpro-x0313]]></Cell>
<Cell id="4"><![CDATA[Z55009317]]></Cell>
<Cell id="5"><![CDATA[CC(C)(C)NC(=O)CN1C=CC(=N1)C(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: Precipitated:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.59]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.1627,-1.5020;0,0,i2
C=0.2076,-0.8920;0,0,i0
C=0.3645,0.5998;0,0,i1
C=1.7349,1.2098;0,0,i1
C=2.9483,0.3280;0,0,i0
Br=4.3187,0.9380;0,0,i0
C=2.7914,-1.1638;0,0,i1
C=1.4211,-1.7738;0,0,i1
C=-2.2193,0.8715;0,0,i0
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1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
7-9=1,0
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<Cell id="3"><![CDATA[Mpro-x0314]]></Cell>
<Cell id="4"><![CDATA[Z1551999220]]></Cell>
<Cell id="5"><![CDATA[CC(CC=1C=CC(Br)=CC1)C(=O)N]]></Cell>
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N=-1.3121,-0.9665;0,0,i1
C=0.0610,-0.3626;0,0,i0
C=1.3566,-1.1185;0,0,i1
C=2.4758,-0.1199;0,0,i0
C=3.9416,-0.4384;0,0,i3
N=1.8720,1.2532;0,0,i0
N=0.3795,1.1032;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=1,0
7-9=2,0
9-10=1,0
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<Cell id="3"><![CDATA[Mpro-x0315]]></Cell>
<Cell id="4"><![CDATA[Z239136710]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC1=CC(C)=NN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-2.5285,1.6063;0,0,i1
C=-1.5598,0.4611;0,0,i0
N=-0.0836,0.7274;0,0,i1
C=0.8851,-0.4178;0,0,i0
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C=3.3300,-1.2967;0,0,i2
C=4.8062,-1.0303;0,0,i2
O=5.3136,0.3812;0,0,i0
C=4.3449,1.5264;0,0,i2
C=2.8687,1.2601;0,0,i2
C=-2.0672,-0.9505;0,0,i1
C=-3.5434,-1.2168;0,0,i1
1-2=1,0
2-3=2,0
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<Cell id="4"><![CDATA[Z287484230]]></Cell>
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C=-2.2243,-0.6688;0,0,i0
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"/>
<Cell id="9"/>
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C=2.0030,-0.7575;0,0,i1
C=2.5909,0.6225;0,0,i0
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C=6.4702,-0.2150;0,0,i3
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<Cell id="4"><![CDATA[Z2856434903]]></Cell>
<Cell id="5"><![CDATA[CN1CCN(CC1)C=2C=CC(NC(=O)C)=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="4"><![CDATA[Z1429867185]]></Cell>
<Cell id="5"><![CDATA[COC=1C=CC=C2NC=CC12]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-2.1447,0.8970;0,0,i1
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C=0.2198,-0.1795;0,0,i0
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C=1.7129,-0.0352;0,0,i1
C=2.7072,-1.1583;0,0,i2
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C=3.9383,0.9334;0,0,i2
C=2.4737,1.2575;0,0,i2
C=-2.7662,-0.4681;0,0,i0
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<Cell id="4"><![CDATA[Z1238477790]]></Cell>
<Cell id="5"><![CDATA[CC(NC(=O)C1CCCC1)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.46]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.4404,-0.2144;0,0,i2
C=-1.9302,-0.0394;0,0,i0
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C=-4.3102,-0.5150;0,0,i1
C=-4.1352,0.9747;0,0,i0
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C=2.5391,-0.5644;0,0,i0
C=4.0289,-0.7394;0,0,i1
C=4.9253,0.4632;0,0,i1
C=4.3320,1.8409;0,0,i1
C=2.8422,2.0159;0,0,i1
C=1.9458,0.8132;0,0,i1
1-2=1,0
2-3=1,0
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4-5=2,0
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<Cell id="3"><![CDATA[Mpro-x0348]]></Cell>
<Cell id="4"><![CDATA[Z2856434896]]></Cell>
<Cell id="5"><![CDATA[CN(CC1=CC=C(C)O1)CC=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.98]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.5679,1.1195;0,0,i1
C=-3.2081,1.7528;0,0,i1
C=-1.9798,0.8919;0,0,i0
N=-0.6200,1.5252;0,0,i1
C=0.6083,0.6643;0,0,i0
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C=1.9680,1.2976;0,0,i2
N=3.1964,0.4367;0,0,i0
C=4.6149,0.9244;0,0,i2
C=5.5171,-0.2740;0,0,i2
C=4.6562,-1.5023;0,0,i2
C=3.2219,-1.0631;0,0,i2
C=-2.1112,-0.6024;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
8-10=1,0
10-11=1,0
11-12=1,0
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13-14=1,0
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<Cell id="4"><![CDATA[Z2735692823]]></Cell>
<Cell id="5"><![CDATA[ClC=1C=CC=C(NC(=O)CN2CCCC2)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.42]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-5.2788,-0.2203;0,0,i0
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C=-2.3917,0.5950;0,0,i0
C=-0.9482,1.0027;0,0,i2
C=0.1266,-0.0436;0,0,i0
O=-0.2421,-1.4976;0,0,i0
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C=2.6450,-0.6823;0,0,i2
C=4.0885,-0.2747;0,0,i1
C=4.6072,1.1328;0,0,i2
C=6.1061,1.0744;0,0,i2
C=6.5137,-0.3691;0,0,i2
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<Cell id="3"><![CDATA[Mpro-x0351]]></Cell>
<Cell id="4"><![CDATA[Z2064898339]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CC(CC(=O)NC[C@@H]2CCCO2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[1.4]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-5.3394,1.5403;0,0,i1
C=-3.8807,1.8899;0,0,i1
C=-2.8486,0.8015;0,0,i0
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C=-0.3578,0.0627;0,0,i0
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C=1.1009,0.4123;0,0,i2
O=2.1330,-0.6762;0,0,i0
C=3.5917,-0.3265;0,0,i0
C=4.6238,-1.4150;0,0,i1
C=6.0825,-1.0654;0,0,i1
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1-2=1,0
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11-12=1,0
12-13=2,0
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<Cell id="4"><![CDATA[Z19735192]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC=C(NC(=O)COC=2C=CC=CC2)C1]]></Cell>
<Cell id="6"><![CDATA[OK: Crystalline:No comment]]></Cell>
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C=-1.5305,-0.5261;0,0,i1
C=-0.7712,0.7675;0,0,i0
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C=1.5946,-0.3061;0,0,i0
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C=4.2465,-1.1122;0,0,i2
C=5.1987,0.0468;0,0,i2
C=4.0398,0.9990;0,0,i2
C=-1.7670,1.8894;0,0,i1
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[1.66]]></Cell>
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C=-2.5377,1.1926;0,0,i1
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C=-0.3819,-0.2575;0,0,i0
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C=1.1146,-0.3602;0,0,i0
C=1.7738,-1.7075;0,0,i1
C=3.2703,-1.8102;0,0,i1
C=4.1075,-0.5656;0,0,i1
C=3.4482,0.7817;0,0,i0
C=4.2854,2.0264;0,0,i3
N=1.9517,0.8845;0,0,i0
C=-3.3749,-0.0520;0,0,i1
C=-3.4776,-1.5485;0,0,i2
C=-4.7222,-0.7113;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
6-7=2,0
7-8=1,0
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9-10=1,0
10-11=1,0
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<Cell id="4"><![CDATA[Z287256168]]></Cell>
<Cell id="5"><![CDATA[CC(NC(=O)C=1C=CC=C(C)N1)C2CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
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C=4.6338,0.1948;0,0,i0
C=3.9152,1.5115;0,0,i1
S=2.4409,1.2350;0,0,i0
C=2.2483,-0.2526;0,0,i0
C=0.9317,-0.9712;0,0,i2
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C=-1.6657,-0.9088;0,0,i0
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C=-4.3309,-0.7048;0,0,i1
C=-5.3075,0.4337;0,0,i1
N=-4.5265,1.7144;0,0,i1
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1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
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<Cell id="4"><![CDATA[Z466628048]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.5236,-1.3537;0,0,i0
C=-2.6203,-2.5513;0,0,i3
C=-3.0858,0.0809;0,0,i0
C=-1.6677,0.5700;0,0,i0
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C=0.8829,0.0754;0,0,i2
C=2.0154,-0.9081;0,0,i2
C=3.4335,-0.4191;0,0,i0
C=4.5660,-1.4026;0,0,i1
C=5.9840,-0.9136;0,0,i2
C=6.2695,0.5590;0,0,i2
C=5.1370,1.5425;0,0,i2
C=3.7190,1.0535;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
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8-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
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14-15=1,0
15-16=1,0
16-17=1,0
17-18=1,0
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<Cell id="4"><![CDATA[Z69092635]]></Cell>
<Cell id="5"><![CDATA[CC1=NOC(C)=C1C(=O)NCCC2=CCCCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=2.8115,-0.8064;0,0,i0
C=4.2120,-1.3436;0,0,i1
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C=3.0544,0.4263;0,0,i0
C=4.5207,0.7427;0,0,i1
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C=4.2744,-1.6718;0,0,i1
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C=0.2041,-0.5095;0,0,i2
C=-1.2210,-0.9774;0,0,i2
O=-1.5000,5.5570;0,0,i1
C=-0.7500,4.2580;0,0,i0
O=-1.5000,2.9589;0,0,i0
C=0.7500,4.2580;0,0,i0
O=1.5000,5.5570;0,0,i0
O=1.5000,2.9589;0,0,i1
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2-3=2,0
2-4=2,0
2-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
8-15=1,0
15-16=1,0
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18-20=1,0
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<Cell id="4"><![CDATA[Z2241115980]]></Cell>
<Cell id="5"><![CDATA[CS(=O)(=O)N1CCN(CC2=CC=CO2)CC1.OC(=O)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.3037,0.6514;0,0,i0
C=-0.9282,1.2498;0,0,i2
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C=1.6532,0.9562;0,0,i0
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C=2.8592,0.0643;0,0,i0
C=4.2897,0.5156;0,0,i1
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4-5=1,0
5-6=1,0
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7-8=2,0
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9-10=2,0
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12-13=1,0
4-14=1,0
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<Cell id="4"><![CDATA[Z275179758]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-3.4665,1.6413;0,0,i1
C=-2.3917,0.5950;0,0,i0
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C=0.1266,-0.0436;0,0,i0
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C=2.6450,-0.6823;0,0,i2
C=4.0885,-0.2747;0,0,i0
C=4.6072,1.1328;0,0,i1
C=6.1061,1.0744;0,0,i1
C=6.5137,-0.3691;0,0,i1
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<Cell id="5"><![CDATA[FC=1C=CC(NC(=O)NCC2=CC=CO2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
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<Cell id="9"/>
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C=-2.9774,1.1784;0,0,i1
C=-1.5709,1.6996;0,0,i1
C=-0.4162,0.7422;0,0,i0
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C=2.1450,0.3060;0,0,i0
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C=4.7062,-0.1303;0,0,i0
C=5.6637,1.0244;0,0,i3
C=3.7487,-1.2849;0,0,i3
C=5.8609,-1.0877;0,0,i3
C=-0.6680,-0.7365;0,0,i1
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2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
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9-10=2,0
9-11=1,0
11-12=1,0
12-13=1,0
12-14=1,0
12-15=1,0
7-16=1,0
16-17=2,0
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<Cell id="3"><![CDATA[Mpro-x0454]]></Cell>
<Cell id="4"><![CDATA[Z44586802]]></Cell>
<Cell id="5"><![CDATA[CCOC=1C=CC(NC(=O)NC(C)(C)C)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
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C=-5.9011,-1.2540;0,0,i2
C=-4.5432,-0.6169;0,0,i0
C=-4.4159,0.8777;0,0,i1
C=-3.0580,1.5148;0,0,i1
C=-1.8272,0.6573;0,0,i0
O=-0.4692,1.2945;0,0,i0
C=0.7615,0.4370;0,0,i2
C=2.1195,1.0741;0,0,i0
O=2.2467,2.5687;0,0,i0
N=3.3502,0.2166;0,0,i0
C=3.2230,-1.2780;0,0,i2
C=4.4537,-2.1354;0,0,i2
C=5.8117,-1.4983;0,0,i2
C=5.9389,-0.0037;0,0,i2
C=4.7082,0.8537;0,0,i2
C=-1.9544,-0.8372;0,0,i1
C=-3.3124,-1.4744;0,0,i1
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=2,0
9-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
14-15=1,0
15-16=1,0
6-17=1,0
17-18=2,0
3-18=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0455]]></Cell>
<Cell id="4"><![CDATA[Z18839017]]></Cell>
<Cell id="5"><![CDATA[CCC=1C=CC(OCC(=O)N2CCCCC2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.76]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.3479,-0.5651;0,0,i0
C=-4.1413,0.9206;0,0,i1
C=-2.7514,1.4845;0,0,i1
C=-1.5680,0.5627;0,0,i0
C=-0.1781,1.1267;0,0,i2
N=1.0053,0.2049;0,0,i1
C=2.3952,0.7688;0,0,i0
O=2.6018,2.2546;0,0,i0
C=3.5786,-0.1529;0,0,i1
C=3.7636,-1.6415;0,0,i2
C=5.2521,-1.4565;0,0,i2
C=5.0672,0.0321;0,0,i2
C=-1.7746,-0.9230;0,0,i1
N=-3.1646,-1.4869;0,0,i0
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2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
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<Cell id="3"><![CDATA[Mpro-x0456]]></Cell>
<Cell id="4"><![CDATA[Z437516460]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CC(CNC(=O)C2CCC2)=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.78]]></Cell>
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C=-4.0000,-0.4131;0,0,i0
O=-4.5335,-1.8150;0,0,i0
C=-2.5191,-0.1742;0,0,i1
C=-1.9856,1.2277;0,0,i2
C=-0.5047,1.4666;0,0,i2
N=0.4426,0.3036;0,0,i0
C=-0.0909,-1.0983;0,0,i2
C=-1.5718,-1.3372;0,0,i2
C=1.9234,0.5425;0,0,i0
O=2.4570,1.9444;0,0,i0
N=2.8708,-0.6205;0,0,i1
C=4.3516,-0.3816;0,0,i0
C=4.5905,-1.8625;0,0,i3
C=4.1127,1.0992;0,0,i3
C=5.8325,-0.1427;0,0,i3
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2-3=1,0
3-4=2,0
3-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
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9-10=1,0
8-11=1,0
11-12=2,0
11-13=1,0
13-14=1,0
14-15=1,0
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14-17=1,0
10-5=1,0
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<Cell id="3"><![CDATA[Mpro-x0457]]></Cell>
<Cell id="4"><![CDATA[Z44567722]]></Cell>
<Cell id="5"><![CDATA[COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.91]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.5736,-0.6640;0,0,i0
C=-4.0506,-0.4020;0,0,i3
C=-1.1834,-1.2274;0,0,i2
N=-0.2180,-0.0794;0,0,i0
C=-1.0116,1.1935;0,0,i2
C=-2.4674,0.8322;0,0,i1
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C=1.2782,-0.1856;0,0,i0
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C=3.4306,-1.6407;0,0,i1
C=4.2707,-0.3980;0,0,i1
C=3.6145,0.9508;0,0,i1
C=2.1183,1.0571;0,0,i0
F=1.4622,2.4060;0,0,i0
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
5-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
7-2=1,0
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<Cell id="4"><![CDATA[Z1929757385]]></Cell>
<Cell id="5"><![CDATA[CC1(C)CN(CC1O)C=2N=CC=CC2F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.28]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=5.0842,0.8696;0,0,i0
C=3.5914,1.0161;0,0,i1
C=2.9907,-0.3583;0,0,i0
N=4.1122,-1.3544;0,0,i0
O=5.4061,-0.5955;0,0,i0
C=1.5256,-0.6802;0,0,i0
O=1.0719,-2.1100;0,0,i0
N=0.5143,0.4276;0,0,i1
C=-0.9508,0.1057;0,0,i0
C=-1.4045,-1.3241;0,0,i1
C=-2.8695,-1.6460;0,0,i1
C=-3.8809,-0.5382;0,0,i0
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C=-5.8541,0.8749;0,0,i1
C=-4.6467,1.7649;0,0,i1
C=-3.4271,0.8916;0,0,i0
C=-1.9621,1.2135;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
4-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
14-15=1,0
15-16=2,0
16-17=1,0
17-18=2,0
6-2=1,0
10-18=1,0
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<Cell id="3"><![CDATA[Mpro-x0459]]></Cell>
<Cell id="4"><![CDATA[Z1190787729]]></Cell>
<Cell id="5"><![CDATA[CC1=CC(=NO1)C(=O)NC=2C=CC=3NC=CC3C2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[1.95]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.6566,-0.1126;0,0,i0
C=0.7830,0.3088;0,0,i2
O=1.8678,-0.7272;0,0,i0
C=3.3073,-0.3057;0,0,i0
C=4.3921,-1.3417;0,0,i1
C=5.8317,-0.9203;0,0,i1
C=6.1865,0.5371;0,0,i1
C=5.1017,1.5731;0,0,i1
C=3.6622,1.1517;0,0,i1
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C=-3.1809,0.5020;0,0,i1
C=-4.2657,1.5380;0,0,i2
C=-5.7053,1.1165;0,0,i2
C=-6.0601,-0.3409;0,0,i2
C=-4.9753,-1.3769;0,0,i2
C=-3.5357,-0.9555;0,0,i2
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
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2-11=1,0
11-12=1,0
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13-14=1,0
14-15=1,0
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<Cell id="3"><![CDATA[Mpro-x0460]]></Cell>
<Cell id="4"><![CDATA[Z19735904]]></Cell>
<Cell id="5"><![CDATA[O=C(COC=1C=CC=CC1)NC2CCCCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.3465,0.2230;0,0,i0
N=-3.4644,-0.9903;0,0,i0
C=-2.0380,-0.5263;0,0,i0
C=-0.8242,-1.4076;0,0,i2
N=0.5460,-0.7971;0,0,i0
C=1.7597,-1.6784;0,0,i2
C=3.1299,-1.0679;0,0,i2
C=3.2862,0.4239;0,0,i1
C=4.6564,1.0344;0,0,i2
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C=2.0724,1.3052;0,0,i2
C=0.7023,0.6947;0,0,i2
C=-2.0384,0.9737;0,0,i1
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1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
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12-13=1,0
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14-15=1,0
15-2=1,0
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<Cell id="3"><![CDATA[Mpro-x0461]]></Cell>
<Cell id="4"><![CDATA[Z1259335913]]></Cell>
<Cell id="5"><![CDATA[CC1=NC(CN2CCC(CN)CC2)=CS1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.6966,0.4949;0,0,i2
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C=-2.1639,-0.0841;0,0,i0
O=-1.8296,1.3782;0,0,i0
C=-1.0647,-1.1047;0,0,i2
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C=0.7031,0.7992;0,0,i2
C=2.1367,1.2408;0,0,i2
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O=4.0501,1.4799;0,0,i0
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C=2.9016,-1.2421;0,0,i2
C=1.4681,-1.6837;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=2,0
10-12=2,0
10-13=1,0
13-14=1,0
14-7=1,0
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<Cell id="3"><![CDATA[Mpro-x0462]]></Cell>
<Cell id="4"><![CDATA[Z2856434920]]></Cell>
<Cell id="5"><![CDATA[CCOC(=O)CN1CCS(=O)(=O)CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.6]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.8501,1.9401;0,0,i1
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C=-6.3727,-0.1650;0,0,i1
C=-5.1574,-1.0441;0,0,i1
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C=1.3805,-0.9633;0,0,i0
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C=3.7937,-0.7045;0,0,i0
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C=6.1649,0.3572;0,0,i1
C=5.5519,1.7262;0,0,i1
C=4.0598,1.8799;0,0,i1
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<Cell id="4"><![CDATA[Z57299529]]></Cell>
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<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.8978,1.6232;0,0,i1
C=-1.9508,0.4599;0,0,i0
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C=0.4770,-0.4650;0,0,i0
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C=1.9580,-0.2266;0,0,i0
C=2.9049,-1.3899;0,0,i1
C=4.3858,-1.1515;0,0,i1
C=4.9198,0.2503;0,0,i0
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C=2.4920,1.1752;0,0,i1
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<Cell id="4"><![CDATA[Z56346825]]></Cell>
<Cell id="5"><![CDATA[OC=1C=CC(NC(=O)C=2C=CC(Cl)=CC2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.4497,0.1842;0,0,i0
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C=-2.2017,-0.6479;0,0,i2
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C=0.3910,-0.8153;0,0,i0
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C=1.7356,-0.1505;0,0,i0
C=3.0638,-0.8476;0,0,i1
C=4.1372,0.2001;0,0,i0
C=5.6158,-0.0525;0,0,i3
O=3.4725,1.5448;0,0,i0
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<Cell id="3"><![CDATA[Mpro-x0466]]></Cell>
<Cell id="4"><![CDATA[Z375990520]]></Cell>
<Cell id="5"><![CDATA[COC(=O)CNC(=O)C=1C=C(C)ON1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.63]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-3.5949,-0.1930;0,0,i1
C=-4.1687,-1.5789;0,0,i3
N=-2.1077,0.0030;0,0,i0
C=-1.5339,1.3889;0,0,i2
C=-0.0468,1.5849;0,0,i2
N=0.8665,0.3950;0,0,i0
C=0.2927,-0.9909;0,0,i2
C=-1.1945,-1.1869;0,0,i2
C=2.3537,0.5909;0,0,i0
O=2.9275,1.9768;0,0,i0
C=3.2670,-0.5990;0,0,i1
C=4.7541,-0.4030;0,0,i3
C=2.6931,-1.9849;0,0,i3
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
10-12=1,0
12-13=1,0
12-14=1,0
9-4=1,0
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<Cell id="3"><![CDATA[Mpro-x0467]]></Cell>
<Cell id="4"><![CDATA[Z106307058]]></Cell>
<Cell id="5"><![CDATA[CC(C)N1CCN(CC1)C(=O)C(C)C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.02]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-4.1209,0.1547;0,0,i0
O=-3.9168,1.6407;0,0,i0
N=-2.9361,-0.7652;0,0,i1
C=-1.5470,-0.1990;0,0,i2
C=-0.3622,-1.1188;0,0,i2
N=1.0269,-0.5526;0,0,i0
C=2.1397,-1.5584;0,0,i2
C=3.6199,-1.3155;0,0,i2
C=4.3528,-0.0068;0,0,i2
C=3.7866,1.3822;0,0,i2
C=2.3476,1.8056;0,0,i2
C=1.1194,0.9445;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0468]]></Cell>
<Cell id="4"><![CDATA[Z169226638]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NCCN1CCCCCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.04]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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N=-4.8233,-0.2470;0,0,i0
C=-5.3677,-1.6447;0,0,i3
C=-3.3406,-0.0196;0,0,i0
C=-2.7963,1.3782;0,0,i1
C=-1.3136,1.6056;0,0,i1
C=-0.3753,0.4353;0,0,i0
C=1.1073,0.6627;0,0,i2
N=2.0456,-0.5076;0,0,i1
N=3.5283,-0.2802;0,0,i0
C=4.2158,1.0530;0,0,i1
N=5.6961,0.8111;0,0,i0
N=5.9236,-0.6716;0,0,i0
C=4.5837,-1.3460;0,0,i1
C=-0.9197,-0.9625;0,0,i1
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1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
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7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
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15-16=2,0
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<Cell id="3"><![CDATA[Mpro-x0469]]></Cell>
<Cell id="4"><![CDATA[Z57258487]]></Cell>
<Cell id="5"><![CDATA[CN(C)C=1C=CC(CNN2C=NN=C2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[3.27]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-3.1639,-0.4122;0,0,i0
N=-1.6711,-0.2661;0,0,i0
C=-1.3486,1.1988;0,0,i0
C=0.0261,1.7990;0,0,i2
N=1.2332,0.9086;0,0,i0
C=2.6631,1.3618;0,0,i2
C=3.5360,0.1420;0,0,i1
F=5.0359,0.1312;0,0,i0
C=2.6456,-1.0652;0,0,i2
C=1.2224,-0.5914;0,0,i1
C=0.0025,-1.4643;0,0,i2
N=0.1486,-2.9571;0,0,i2
C=-2.6422,1.9581;0,0,i1
S=-3.7641,0.9625;0,0,i0
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,1
8-10=1,0
10-11=1,0
11-12=1,1
12-13=1,0
4-14=2,0
14-15=1,0
15-2=1,0
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<Cell id="3"><![CDATA[Mpro-x0470]]></Cell>
<Cell id="4"><![CDATA[Z2444997446]]></Cell>
<Cell id="5"><![CDATA[CC1=NC(CN2C[C@@H](F)C[C@H]2CN)=CS1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.85]]></Cell>
<Cell id="9"/>
<Cell id="10"/></Row>
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C=-0.0000,1.3000;0,0,i1
N=1.2990,0.5500;0,0,i0
C=1.2990,-0.9500;0,0,i2
C=2.5981,-1.7000;0,0,i2
N=3.8971,-0.9500;0,0,i1
C=3.8971,0.5500;0,0,i2
C=2.5981,1.3000;0,0,i2
C=-1.2990,0.5500;0,0,i0
C=-2.5981,1.3000;0,0,i1
C=-3.8971,0.5500;0,0,i1
C=-3.8971,-0.9500;0,0,i1
C=-2.5981,-1.7000;0,0,i1
C=-1.2990,-0.9500;0,0,i0
F=-0.0000,-1.7000;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
2-9=1,0
9-10=2,0
10-11=1,0
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12-13=1,0
13-14=2,0
14-15=1,0
8-3=1,0
9-14=1,0
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<Cell id="3"><![CDATA[Mpro-x0471]]></Cell>
<Cell id="4"><![CDATA[Z2466069494]]></Cell>
<Cell id="5"><![CDATA[CC(N1CCNCC1)C=2C=CC=CC2F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
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C=-2.4378,-2.0211;0,0,i0
O=-1.0313,-2.5425;0,0,i0
C=-2.6895,-0.5424;0,0,i0
C=-4.0960,-0.0210;0,0,i1
C=-4.3477,1.4577;0,0,i1
C=-3.1930,2.4151;0,0,i1
C=-1.7865,1.8937;0,0,i1
C=-1.5348,0.4150;0,0,i0
N=-0.1283,-0.1064;0,0,i1
C=1.0264,0.8510;0,0,i0
O=0.7747,2.3297;0,0,i0
C=2.4329,0.3296;0,0,i0
C=2.6846,-1.1491;0,0,i1
C=4.0911,-1.6705;0,0,i1
N=5.2459,-0.7131;0,0,i0
C=4.9942,0.7656;0,0,i1
C=3.5877,1.2870;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=1,0
11-12=2,0
11-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
16-17=1,0
17-18=2,0
4-9=1,0
13-18=1,0
!End
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<Cell id="3"><![CDATA[Mpro-x0472]]></Cell>
<Cell id="4"><![CDATA[Z91797745]]></Cell>
<Cell id="5"><![CDATA[NC(=O)C=1C=CC=CC1NC(=O)C=2C=CN=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.62]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-2.8693,-0.9351;0,0,i0
N=-1.3729,-0.8316;0,0,i0
N=-1.0089,0.6236;0,0,i0
C=0.3823,1.1845;0,0,i2
C=1.5636,0.2601;0,0,i0
C=3.0058,0.6725;0,0,i0
C=3.5199,2.0816;0,0,i3
N=3.8437,-0.5717;0,0,i0
O=2.9193,-1.7530;0,0,i0
C=1.5101,-1.2389;0,0,i0
C=0.2660,-2.0768;0,0,i3
C=-2.2804,1.4194;0,0,i0
O=-2.3839,2.9159;0,0,i0
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1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
7-9=2,0
9-10=1,0
10-11=1,0
11-12=1,0
4-13=1,0
13-14=2,0
13-15=1,0
15-2=1,0
6-11=2,0
!End
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<Cell id="3"><![CDATA[Mpro-x0473]]></Cell>
<Cell id="4"><![CDATA[Z1899842917]]></Cell>
<Cell id="5"><![CDATA[CC1=NN(CC=2C(C)=NOC2C)C(=O)S1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.71]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-5.1962,0.7500;0,0,i1
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C=-2.5981,0.7500;0,0,i0
C=-1.2990,1.5000;0,0,i2
C=-0.0000,0.7500;0,0,i0
O=-0.0000,-0.7500;0,0,i0
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C=2.5981,0.7500;0,0,i0
C=2.5981,-0.7500;0,0,i1
C=3.8971,-1.5000;0,0,i1
C=5.1962,-0.7500;0,0,i0
F=6.4952,-1.5000;0,0,i0
C=5.1962,0.7500;0,0,i1
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C=-2.5981,-0.7500;0,0,i1
C=-3.8971,-1.5000;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
13-15=1,0
15-16=2,0
5-17=1,0
17-18=2,0
2-18=1,0
10-16=1,0
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<Cell id="3"><![CDATA[Mpro-x0474]]></Cell>
<Cell id="4"><![CDATA[Z27805986]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC(CC(=O)NC=2C=CC(F)=CC2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.74]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.2147,0.3687;0,0,i1
C=-2.8382,1.8206;0,0,i3
N=-2.1455,-0.6834;0,0,i0
C=-2.5219,-2.1354;0,0,i3
S=-0.6998,-0.2834;0,0,i0
O=-1.0997,1.1623;0,0,i0
O=-0.2998,-1.7291;0,0,i0
N=0.7459,0.1165;0,0,i0
C=1.1224,1.5685;0,0,i2
C=2.5681,1.9684;0,0,i2
N=3.6373,0.9164;0,0,i1
C=3.2608,-0.5356;0,0,i0
O=4.3301,-1.5876;0,0,i0
C=1.8151,-0.9355;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
4-6=1,0
6-7=2,0
6-8=2,0
6-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=2,0
13-15=1,0
15-9=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0475]]></Cell>
<Cell id="4"><![CDATA[Z431807512]]></Cell>
<Cell id="5"><![CDATA[CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="5"><![CDATA[CCNC(=O)C=1C=CC(NS(=O)(=O)C)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=3.2223,1.6034;0,0,i1
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<Cell id="4"><![CDATA[Z1593306637]]></Cell>
<Cell id="5"><![CDATA[CC[C@H](CO)NC(=O)NC=1C=CC(Cl)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.3236,0.7570;0,0,i0
C=0.1286,1.1326;0,0,i2
N=1.1800,0.0627;0,0,i0
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C=3.3328,-1.0580;0,0,i0
C=4.8300,-1.1496;0,0,i1
C=5.6579,0.1012;0,0,i1
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C=3.4914,1.5352;0,0,i1
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.7321,-1.6857;0,0,i1
C=3.2115,-1.4380;0,0,i1
C=3.7367,-0.0330;0,0,i0
C=5.2161,0.2147;0,0,i0
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C=2.7825,1.1244;0,0,i1
C=1.3031,0.8767;0,0,i1
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C=2.5917,-1.7908;0,0,i1
C=4.0854,-1.6533;0,0,i1
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=2.4062,-1.2365;0,0,i1
C=3.9022,-1.1277;0,0,i1
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<Cell id="4"><![CDATA[Z2443429438]]></Cell>
<Cell id="5"><![CDATA[N[C@H]1CCN(C1)S(=O)(=O)C=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=4.8402,-2.0202;0,0,i2
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2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
5-8=1,0
8-9=1,0
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10-11=1,0
11-12=1,0
12-13=1,0
11-14=1,0
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16-17=1,0
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<Cell id="3"><![CDATA[Mpro-x0490]]></Cell>
<Cell id="4"><![CDATA[Z30620520]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC(=CC1)N2CCN(CC2)C(=O)C3CC3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
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C=-5.4511,0.4243;0,0,i1
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C=2.0558,-0.6749;0,0,i0
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C=4.7640,0.6159;0,0,i0
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C=3.5280,1.4658;0,0,i1
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<Cell id="4"><![CDATA[Z28429425]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CSC1C(=O)NCC=2C=CC(C)=CC2]]></Cell>
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C=1.7706,-0.3164;0,0,i0
C=2.0345,1.1603;0,0,i1
C=3.4452,1.6701;0,0,i1
C=4.5920,0.7033;0,0,i1
C=4.3282,-0.7733;0,0,i1
C=2.9175,-1.2831;0,0,i1
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2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
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7-8=1,0
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9-10=1,0
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<Cell id="3"><![CDATA[Mpro-x0492]]></Cell>
<Cell id="4"><![CDATA[Z31478129]]></Cell>
<Cell id="5"><![CDATA[CCOC(=O)NCC=1C=CC=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[2.64]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.0900,1.0550;0,0,i1,m1
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C=-2.8562,-1.3608;0,0,i2
C=-1.4809,-0.7620;0,0,i1,m1
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C=-0.1881,-1.5228;0,0,i0
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C=2.4099,-1.5442;0,0,i2
C=3.7151,-0.8050;0,0,i2
C=3.7275,0.6949;0,0,i1
C=2.4347,1.4557;0,0,i0
F=2.4471,2.9556;0,0,i0
C=1.1295,0.7164;0,0,i2
2-1=1,1
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
5-7=1,1
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7-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=2,0
13-14=1,0
13-15=1,0
6-2=1,0
15-9=1,0
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<Cell id="3"><![CDATA[Mpro-x0493]]></Cell>
<Cell id="4"><![CDATA[Z2272040604]]></Cell>
<Cell id="5"><![CDATA[C[1C@@H]1CC[1C@@H](O1)C(=O)N2CCC=C(F)C2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.8]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.9217,1.2838;0,0,i2
C=-2.5464,1.8825;0,0,i2
C=-1.3402,0.9908;0,0,i1
C=-1.5093,-0.4996;0,0,i2
C=-2.8847,-1.0984;0,0,i2
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C=1.2413,0.6978;0,0,i2
C=2.6166,1.2965;0,0,i2
C=3.8228,0.4048;0,0,i0
C=3.6537,-1.0856;0,0,i1
C=4.8598,-1.9773;0,0,i1
C=6.2352,-1.3786;0,0,i1
C=6.4043,0.1118;0,0,i1
C=5.1981,1.0036;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
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7-8=1,0
8-9=1,0
7-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
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14-15=1,0
15-16=2,0
16-17=1,0
17-18=2,0
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<Cell id="3"><![CDATA[Mpro-x0494]]></Cell>
<Cell id="4"><![CDATA[Z2856434883]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCC(CC1)NCCC=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.38]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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N=-3.6553,-1.1229;0,0,i0
C=-3.0094,0.2310;0,0,i0
N=-1.5345,0.5042;0,0,i1
C=-0.5604,-0.6364;0,0,i0
O=-1.0612,-2.0503;0,0,i0
C=0.9145,-0.3631;0,0,i0
C=2.0025,-1.3957;0,0,i1
C=3.3208,-0.6800;0,0,i0
C=4.7347,-1.1808;0,0,i1
C=5.8754,-0.2067;0,0,i1
C=5.6021,1.2682;0,0,i1
C=4.1881,1.7690;0,0,i1
C=3.0475,0.7948;0,0,i0
O=1.5603,0.9907;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
16-17=1,0
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18-2=1,0
17-9=1,0
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<Cell id="3"><![CDATA[Mpro-x0495]]></Cell>
<Cell id="4"><![CDATA[Z57292378]]></Cell>
<Cell id="5"><![CDATA[CN1N=NC(NC(=O)C2=CC=3C=CC=CC3O2)=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.75]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.8038,-1.2458;0,0,i0
C=-2.0480,-2.0838;0,0,i1
C=-3.3957,-1.4253;0,0,i1
C=-3.4993,0.0711;0,0,i1
C=-2.2552,0.9091;0,0,i0
F=-2.3588,2.4055;0,0,i0
C=-0.9074,0.2506;0,0,i0
C=0.3367,1.0885;0,0,i0
O=0.2331,2.5849;0,0,i0
N=1.6844,0.4300;0,0,i0
C=3.0093,1.1333;0,0,i2
C=4.0876,0.0906;0,0,i2
C=3.4292,-1.2571;0,0,i2
C=1.9439,-1.0474;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
6-8=2,0
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9-10=2,0
9-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
14-15=1,0
2-8=1,0
15-11=1,0
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<Cell id="3"><![CDATA[Mpro-x0496]]></Cell>
<Cell id="4"><![CDATA[Z54226006]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC=C(F)C1C(=O)N2CCCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.89]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.4135,-0.7866;0,0,i0
C=-4.8601,-1.1834;0,0,i1
C=-5.9270,-0.1290;0,0,i1
C=-5.5473,1.3221;0,0,i1
C=-4.1008,1.7189;0,0,i1
C=-3.0338,0.6645;0,0,i0
N=-1.5873,1.0613;0,0,i1
C=-0.5204,0.0069;0,0,i0
O=-0.9000,-1.4442;0,0,i0
C=0.9262,0.4037;0,0,i2
O=1.9931,-0.6507;0,0,i0
C=3.4397,-0.2539;0,0,i0
C=4.5066,-1.3083;0,0,i1
C=5.9532,-0.9115;0,0,i1
C=6.3328,0.5397;0,0,i1
C=5.2659,1.5940;0,0,i1
C=3.8193,1.1973;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
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11-12=1,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
16-17=1,0
17-18=2,0
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<Cell id="3"><![CDATA[Mpro-x0497]]></Cell>
<Cell id="4"><![CDATA[Z68195082]]></Cell>
<Cell id="5"><![CDATA[OC=1C=CC=CC1NC(=O)COC=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.92]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-5.7719,-0.3602;0,0,i0
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C=-3.9376,1.4797;0,0,i1
C=-2.8753,0.4207;0,0,i0
C=-1.4270,0.8112;0,0,i2
N=-0.3647,-0.2478;0,0,i1
C=1.0836,0.1426;0,0,i0
O=1.4695,1.5921;0,0,i0
N=2.1459,-0.9164;0,0,i1
C=3.5941,-0.5259;0,0,i0
C=4.6565,-1.5849;0,0,i1
C=6.1047,-1.1944;0,0,i1
C=6.4907,0.2551;0,0,i1
C=5.4284,1.3141;0,0,i1
C=3.9801,0.9236;0,0,i1
C=-3.2613,-1.0288;0,0,i1
C=-4.7096,-1.4193;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
8-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
5-17=1,0
17-18=2,0
2-18=1,0
11-16=1,0
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<Cell id="3"><![CDATA[Mpro-x0498]]></Cell>
<Cell id="4"><![CDATA[Z44609285]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC(CNC(=O)NC=2C=CC=CC2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.57]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.0341,-0.9388;0,0,i0
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C=-4.4814,-0.0667;0,0,i1
C=-3.9779,1.3462;0,0,i1
C=-2.5025,1.6167;0,0,i1
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C=0.9168,-0.3980;0,0,i2
C=2.3922,-0.1275;0,0,i0
C=3.0406,1.2251;0,0,i1
C=4.5274,1.0263;0,0,i1
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N=3.4782,-1.1622;0,0,i0
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
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<Cell id="3"><![CDATA[Mpro-x0500]]></Cell>
<Cell id="4"><![CDATA[Z1545196403]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC=CC1NCC=2C=CNN2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.9217,1.2838;0,0,i2
C=-2.5464,1.8825;0,0,i2
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C=0.0351,1.5895;0,0,i2
C=1.2413,0.6978;0,0,i2
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C=3.8228,0.4048;0,0,i0
C=3.6537,-1.0856;0,0,i1
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C=5.1981,1.0036;0,0,i1
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C=-2.8847,-1.0984;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
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17-18=1,0
18-4=1,0
11-16=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0501]]></Cell>
<Cell id="4"><![CDATA[Z2856434884]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCN(CCCC=2C=CC=CC2)CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.7737,-0.0965;0,0,i0
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C=-1.3639,-1.0676;0,0,i1
C=-2.8491,-1.2777;0,0,i1
C=0.6820,0.5338;0,0,i0
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C=6.0622,-0.0172;0,0,i1
C=5.1376,1.1640;0,0,i1
N=3.6524,0.9540;0,0,i0
1-2=1,0
2-3=1,0
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C=4.4500,-1.2990;0,0,i3
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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<Cell id="3"><![CDATA[Mpro-x0519]]></Cell>
<Cell id="4"><![CDATA[Z263785508]]></Cell>
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<Cell id="4"><![CDATA[Z2856434791]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC=C(CN2CCOCC2)C1]]></Cell>
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C=3.0778,1.4604;0,0,i1
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<Cell id="4"><![CDATA[Z33297786]]></Cell>
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<Cell id="4"><![CDATA[Z2856434821]]></Cell>
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<Cell id="4"><![CDATA[Z1245580425]]></Cell>
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C=4.3151,1.4171;0,0,i1
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C=-0.0559,0.6057;0,0,i2
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C=4.8266,-1.1721;0,0,i2
C=5.3398,0.2373;0,0,i2
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C=2.8985,1.1262;0,0,i2
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<Cell id="4"><![CDATA[Z2241127906]]></Cell>
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C=1.7736,-2.2555;0,0,i2
C=2.6623,-1.0471;0,0,i0
C=4.1550,-0.8989;0,0,i1
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C=3.8983,1.6864;0,0,i1
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<Cell id="4"><![CDATA[Z89307993]]></Cell>
<Cell id="5"><![CDATA[CC=1OC=CC1C(=O)N2CCC=3C=CC=CC23]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[3.25]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.5666,1.8873;0,0,i2
C=0.3759,0.9751;0,0,i2
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<Cell id="3"><![CDATA[Mpro-x0534]]></Cell>
<Cell id="4"><![CDATA[Z1101755952]]></Cell>
<Cell id="5"><![CDATA[CC1CCCN(CC1)C(=O)C2=CSC=N2]]></Cell>
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C=3.7265,-1.2260;0,0,i1
C=5.1500,-0.7532;0,0,i1
C=5.4523,0.7161;0,0,i1
C=4.3310,1.7124;0,0,i1
C=2.9075,1.2396;0,0,i1
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C=-2.4843,0.8174;0,0,i2
C=-3.6056,1.8137;0,0,i2
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C=-4.2101,-1.1247;0,0,i2
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5-6=1,0
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12-13=1,0
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<Cell id="3"><![CDATA[Mpro-x0535]]></Cell>
<Cell id="4"><![CDATA[Z57257264]]></Cell>
<Cell id="5"><![CDATA[C(C#CC=1C=CC=CC1)N2CCCCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=2.2428,-0.6089;0,0,i1
C=3.5091,-1.4129;0,0,i2
C=4.8386,-0.7181;0,0,i2
N=4.9016,0.7806;0,0,i1
C=3.6352,1.5845;0,0,i2
C=2.3058,0.8898;0,0,i2
C=-0.3530,-0.4997;0,0,i0
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C=-4.2008,0.0103;0,0,i1
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4-5=1,0
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13-14=1,0
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<Cell id="3"><![CDATA[Mpro-x0536]]></Cell>
<Cell id="4"><![CDATA[Z2442270563]]></Cell>
<Cell id="5"><![CDATA[C(C1CCNCC1)C2=NC(=NO2)C3CC3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=1.5000,1.6702;0,0,i2
C=3.0000,1.6702;0,0,i2
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C=-0.7500,0.3712;0,0,i0
C=-1.5000,1.6702;0,0,i1
C=-3.0000,1.6702;0,0,i1
C=-3.7500,0.3712;0,0,i1
C=-3.0000,-0.9279;0,0,i0
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1-2=1,0
2-3=1,0
3-4=1,0
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4-8=1,0
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<Cell id="3"><![CDATA[Mpro-x0537]]></Cell>
<Cell id="4"><![CDATA[Z1267885772]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.9911,-0.5775;0,0,i0
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C=2.5060,-0.7411;0,0,i0
C=4.0050,-0.7956;0,0,i1
C=4.8017,0.4753;0,0,i1
C=4.0994,1.8007;0,0,i1
C=2.6004,1.8552;0,0,i1
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1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=2,0
5-7=1,0
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8-9=1,0
9-10=2,0
10-11=1,0
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12-13=1,0
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<Cell id="4"><![CDATA[Z31385861]]></Cell>
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C=-2.6352,0.0161;0,0,i0
C=-2.3750,1.4934;0,0,i1
C=-0.9656,2.0067;0,0,i1
C=0.1837,1.0428;0,0,i0
C=1.5931,1.5561;0,0,i2
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C=2.4822,-0.8851;0,0,i2
C=3.6314,-1.8491;0,0,i2
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C=5.3010,0.1415;0,0,i2
C=4.1518,1.1054;0,0,i2
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2-4=1,0
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<Cell id="4"><![CDATA[Z2856434871]]></Cell>
<Cell id="5"><![CDATA[FC(F)(F)C=1C=CC(CN2CCOCC2)=CC1]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.8154,-0.1881;0,0,i0
C=1.0582,1.2922;0,0,i1
C=2.4616,1.8220;0,0,i1
C=3.6220,0.8716;0,0,i1
C=3.3792,-0.6086;0,0,i0
Cl=4.5397,-1.5590;0,0,i0
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1-2=1,0
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C=2.3320,0.4681;0,0,i2
C=1.7017,1.8293;0,0,i2
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C=2.5116,1.8790;0,0,i1
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C=3.3021,-1.6670;0,0,i2
C=1.8542,-1.2753;0,0,i2
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C=4.1342,0.3087;0,0,i1
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C=4.7829,-0.2999;0,0,i2
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C=3.5014,1.9601;0,0,i2
C=2.1966,1.2203;0,0,i2
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2-3=1,0
3-4=1,0
5-4=1,1
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C=-4.8786,-0.6355;0,0,i2
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<Cell id="4"><![CDATA[Z755044716]]></Cell>
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C=1.9487,1.7221;0,0,i1
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C=0.8036,0.0909;0,0,i2
C=1.9068,-0.9254;0,0,i2
C=3.3386,-0.4781;0,0,i0
C=4.4418,-1.4944;0,0,i1
C=5.8736,-1.0471;0,0,i2
C=6.2021,0.4165;0,0,i2
C=5.0988,1.4328;0,0,i2
C=3.6671,0.9855;0,0,i2
C=-3.1632,0.2126;0,0,i0
C=-4.2664,1.2289;0,0,i1
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C=-3.3528,1.6440;0,0,i1
C=-2.0972,0.8232;0,0,i0
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C=0.4969,0.6794;0,0,i2
C=1.8354,1.3564;0,0,i2
C=3.0910,0.5356;0,0,i0
C=3.0079,-0.9621;0,0,i1
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C=5.6020,-1.1059;0,0,i1
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<Cell id="3"><![CDATA[Mpro-x0559]]></Cell>
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O=-2.7360,-2.0111;0,0,i0
C=-0.8123,-0.2648;0,0,i0
C=-0.3547,1.1637;0,0,i1
C=1.1113,1.4816;0,0,i1
C=2.1195,0.3710;0,0,i0
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C=4.5937,-0.4218;0,0,i3
C=4.0431,2.1173;0,0,i3
C=1.6618,-1.0575;0,0,i0
F=2.6701,-2.1681;0,0,i0
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<Cell id="3"><![CDATA[Mpro-x0560]]></Cell>
<Cell id="4"><![CDATA[Z907784200]]></Cell>
<Cell id="5"><![CDATA[CCNC(=O)C=1C=CC(N(C)C)=C(F)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.8504,-0.7395;0,0,i0
C=-0.4257,0.6991;0,0,i1
C=1.0325,1.0507;0,0,i1
C=2.0661,-0.0364;0,0,i0
C=1.6414,-1.4750;0,0,i1
C=0.1832,-1.8266;0,0,i1
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3-5=1,0
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6-7=2,0
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<Cell id="3"><![CDATA[Mpro-x0561]]></Cell>
<Cell id="4"><![CDATA[Z27682767]]></Cell>
<Cell id="5"><![CDATA[CCC(=O)NC=1C=CC(=CC1)S(=O)(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: Crystalline:No comment]]></Cell>
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C=-1.9689,0.2470;0,0,i1
C=-2.5800,-1.1229;0,0,i2
C=-4.0717,-0.9650;0,0,i2
C=-4.3824,0.5025;0,0,i2
C=-3.0828,1.2515;0,0,i2
C=1.9689,-0.2470;0,0,i1
C=2.5800,1.1229;0,0,i2
C=4.0717,0.9650;0,0,i2
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2-3=1,0
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<Cell id="3"><![CDATA[Mpro-x0562]]></Cell>
<Cell id="4"><![CDATA[Z90504169]]></Cell>
<Cell id="5"><![CDATA[C(NC1CCCC1)C2CCCO2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-0.5427,-0.3646;0,0,i0
C=-0.0416,1.0492;0,0,i1
C=1.4334,1.3221;0,0,i1
C=2.4072,0.1811;0,0,i0
C=3.8822,0.4540;0,0,i3
N=1.9061,-1.2327;0,0,i0
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1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
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6-7=2,0
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<Cell id="3"><![CDATA[Mpro-x0563]]></Cell>
<Cell id="4"><![CDATA[Z1267773786]]></Cell>
<Cell id="5"><![CDATA[CCNC=1C=CC(C)=NN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-2.7488,0.6294;0,0,i2
C=-4.2275,0.3773;0,0,i1
C=-4.8926,-0.9672;0,0,i2
C=-6.3768,-0.7500;0,0,i2
C=-6.6290,0.7286;0,0,i2
C=-5.3006,1.4253;0,0,i2
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C=2.1239,-1.1753;0,0,i0
C=3.0816,-2.3297;0,0,i1
C=4.5602,-2.0776;0,0,i1
C=5.0812,-0.6710;0,0,i1
C=4.1235,0.4835;0,0,i0
C=4.6445,1.8901;0,0,i0
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2-3=1,0
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<Cell id="3"><![CDATA[Mpro-x0564]]></Cell>
<Cell id="4"><![CDATA[Z26548228]]></Cell>
<Cell id="5"><![CDATA[O=C(CCC1CCCC1)NC=2C=CC=C(C#N)C2]]></Cell>
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C=1.3595,-1.1042;0,0,i2
C=2.6725,-0.3790;0,0,i1
C=3.9571,-1.1536;0,0,i2
C=5.2701,-0.4284;0,0,i2
C=5.2987,1.0713;0,0,i2
C=4.0141,1.8459;0,0,i2
C=2.7011,1.1207;0,0,i2
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<Cell id="3"><![CDATA[Mpro-x0565]]></Cell>
<Cell id="4"><![CDATA[Z31721798]]></Cell>
<Cell id="5"><![CDATA[O=C(CCC1CCCCC1)N2CCOCC2]]></Cell>
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C=-4.2963,1.3645;0,0,i1
C=-2.8183,1.6208;0,0,i1
C=-1.8574,0.4690;0,0,i0
C=-0.3795,0.7253;0,0,i2
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C=2.0594,-0.1703;0,0,i1
C=3.0203,-1.3221;0,0,i2
C=4.4982,-1.0658;0,0,i2
O=5.0153,0.3422;0,0,i0
C=4.0544,1.4940;0,0,i2
C=2.5764,1.2378;0,0,i2
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2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
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7-8=1,0
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<Cell id="3"><![CDATA[Mpro-x0566]]></Cell>
<Cell id="4"><![CDATA[Z823455846]]></Cell>
<Cell id="5"><![CDATA[FC=1C=CC=CC1CNC2CCOCC2]]></Cell>
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C=2.1603,-0.7618;0,0,i2
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C=5.1546,-0.5776;0,0,i0
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<Cell id="4"><![CDATA[Z1259341037]]></Cell>
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C=-2.2638,1.0744;0,0,i2
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<Cell id="3"><![CDATA[Mpro-x0575]]></Cell>
<Cell id="4"><![CDATA[Z645232558]]></Cell>
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C=2.4163,-1.8970;0,0,i2
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C=3.4293,0.5291;0,0,i0
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C=4.3946,-1.1560;0,0,i2
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C=2.5739,1.2283;0,0,i2
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<Cell id="4"><![CDATA[Z2856434881]]></Cell>
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<Cell id="6"><![CDATA[OK: Precipitated:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.86]]></Cell>
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<Cell id="4"><![CDATA[Z31190928]]></Cell>
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C=3.0321,2.4814;0,0,i3
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C=3.3309,-1.4760;0,0,i1
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2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
6-7=1,0
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9-10=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0584]]></Cell>
<Cell id="4"><![CDATA[Z927746322]]></Cell>
<Cell id="5"><![CDATA[CNCC(=O)NC=1C=C(C)C=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.7103,0.6837;0,0,i0
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C=1.8619,0.3181;0,0,i0
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C=4.4342,-0.0474;0,0,i0
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3-4=1,0
4-5=2,0
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<Cell id="3"><![CDATA[Mpro-x0585]]></Cell>
<Cell id="4"><![CDATA[Z56837087]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-4.0010,0.3646;0,0,i2
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C=-1.4398,-0.0717;0,0,i0
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C=-0.2852,-1.0292;0,0,i2
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C=1.3733,0.9706;0,0,i2
C=2.7799,1.4918;0,0,i2
C=3.9345,0.5343;0,0,i2
C=3.6826,-0.9444;0,0,i2
C=2.2760,-1.4656;0,0,i2
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3-4=1,0
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<Cell id="4"><![CDATA[Z2856434773]]></Cell>
<Cell id="5"><![CDATA[CCOC(=O)CN1CCCCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=2.5004,-1.4061;0,0,i1
C=1.0893,-0.8974;0,0,i2
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C=-0.5870,1.0876;0,0,i2
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C=1.9702,1.5467;0,0,i1
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C=3.3813,1.0381;0,0,i2
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4-5=1,0
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6-7=1,0
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12-13=1,0
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C=1.8811,-0.0620;0,0,i2
C=0.6131,0.7394;0,0,i0
O=0.6732,2.2382;0,0,i0
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C=-3.3710,-1.3526;0,0,i2
C=-3.3109,0.1462;0,0,i0
C=-4.8097,0.2063;0,0,i2
C=-4.0083,1.4742;0,0,i2
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2-4=1,0
4-5=1,0
5-6=1,0
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6-8=1,0
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9-10=1,0
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11-12=1,0
12-13=1,0
13-14=1,0
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<Cell id="3"><![CDATA[Mpro-x0588]]></Cell>
<Cell id="4"><![CDATA[Z2074076908]]></Cell>
<Cell id="5"><![CDATA[FC(F)OCC(=O)N1CCCC2(CC2)C1]]></Cell>
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C=-2.7229,0.0405;0,0,i0
C=-2.2136,1.4513;0,0,i1
C=-0.7370,1.7156;0,0,i1
C=0.2301,0.5691;0,0,i0
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C=2.6738,-0.3132;0,0,i0
O=2.1644,-1.7241;0,0,i0
C=4.1503,-0.0489;0,0,i1
C=5.2969,0.9182;0,0,i2
C=5.5612,-0.5583;0,0,i2
C=-0.2793,-0.8418;0,0,i1
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1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
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12-13=1,0
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<Cell id="3"><![CDATA[Mpro-x0589]]></Cell>
<Cell id="4"><![CDATA[Z1891773393]]></Cell>
<Cell id="5"><![CDATA[CC(N)C=1C=CC(NC(=O)C2CC2)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.9987,-0.0412;0,0,i1
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C=-2.7442,-0.8637;0,0,i2
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C=-0.1503,-1.0110;0,0,i2
C=1.1891,-0.3358;0,0,i0
C=1.2742,1.1618;0,0,i0
Cl=0.0197,1.9842;0,0,i0
C=2.6136,1.8369;0,0,i1
C=3.8681,1.0145;0,0,i1
C=3.7830,-0.4831;0,0,i1
C=2.4436,-1.1582;0,0,i0
Cl=2.3585,-2.6558;0,0,i0
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2-3=1,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=2,0
8-9=1,0
8-10=1,0
10-11=2,0
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<Cell id="3"><![CDATA[Mpro-x0590]]></Cell>
<Cell id="4"><![CDATA[Z2856434909]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.9004,0.1668;0,0,i0
C=-4.4004,0.1635;0,0,i0
N=-5.9004,0.1601;0,0,i0
C=-2.1533,1.4675;0,0,i1
C=-0.6533,1.4708;0,0,i1
C=0.0996,0.1734;0,0,i0
N=1.5996,0.1767;0,0,i0
C=2.3525,-1.1206;0,0,i2
C=3.8525,-1.1173;0,0,i2
N=4.5996,0.1834;0,0,i1
C=3.8467,1.4808;0,0,i2
C=2.3467,1.4774;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=3,0
4-7=2,0
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<Cell id="3"><![CDATA[Mpro-x0591]]></Cell>
<Cell id="4"><![CDATA[Z939944666]]></Cell>
<Cell id="5"><![CDATA[FC=1C=C(C#N)C=CC1N2CCNCC2]]></Cell>
<Cell id="6"><![CDATA[OK: Phase Separation:No comment]]></Cell>
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C=-1.4939,-0.1351;0,0,i0
C=-0.8639,1.2262;0,0,i1
C=0.6300,1.3613;0,0,i1
C=1.4939,0.1351;0,0,i0
C=0.8639,-1.2262;0,0,i1
C=-0.6300,-1.3613;0,0,i0
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1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
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<Cell id="3"><![CDATA[Mpro-x0592]]></Cell>
<Cell id="4"><![CDATA[Z2142244288]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
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C=-0.9033,-1.0029;0,0,i2
C=0.5441,-0.6093;0,0,i0
N=1.7134,-1.5489;0,0,i0
C=2.9683,-0.7272;0,0,i0
C=4.4186,-1.1101;0,0,i1
C=5.4753,-0.0455;0,0,i1
C=5.0817,1.4020;0,0,i1
C=3.6314,1.7848;0,0,i1
C=2.5747,0.7202;0,0,i0
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1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
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12-13=2,0
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<Cell id="3"><![CDATA[Mpro-x0593]]></Cell>
<Cell id="4"><![CDATA[Z26781952]]></Cell>
<Cell id="5"><![CDATA[CCCC(=O)NCC1=NC=2C=CC=CC2N1]]></Cell>
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C=3.1047,1.7908;0,0,i1
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C=-4.6811,-0.5158;0,0,i2
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C=3.6077,1.6634;0,0,i2
C=2.2935,0.9403;0,0,i2
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C=4.5520,-0.8480;0,0,i2
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C=2.4663,1.3083;0,0,i2
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C=4.9658,-0.2279;0,0,i1
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<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.2187,-2.4472;0,0,i0
C=-0.5670,-1.1694;0,0,i1
C=0.0050,0.2173;0,0,i1
C=1.4630,0.5696;0,0,i0
C=2.4972,-0.5169;0,0,i1
C=3.9552,-0.1645;0,0,i1
C=4.3790,1.2744;0,0,i1
C=3.3449,2.3609;0,0,i1
C=1.8868,2.0085;0,0,i1
C=-1.1371,1.1897;0,0,i2
N=-2.4149,0.4040;0,0,i0
C=-3.8016,0.9759;0,0,i0
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O=-4.9902,0.0610;0,0,i0
C=-2.0625,-1.0540;0,0,i2
O=-0.4950,-3.7665;0,0,i1
1-2=2,0
3-2=1,1
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4-5=1,2
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
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4-11=1,0
11-12=1,0
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13-14=1,0
13-15=2,0
12-16=1,0
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16-3=1,0
10-5=1,0
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C=-2.7821,1.1476;0,0,i1
C=-1.2898,1.2995;0,0,i1
C=-2.5189,-1.4372;0,0,i1
C=-1.0266,-1.2852;0,0,i1
C=-0.4120,0.0831;0,0,i0
C=1.0802,0.2351;0,0,i0
C=0.6715,1.6783;0,0,i2
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C=0.9707,-1.2609;0,0,i2
N=2.2116,-2.1038;0,0,i1
C=3.5619,-1.4506;0,0,i2
C=3.6714,0.0454;0,0,i2
C=2.4306,0.8882;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
2-5=1,0
5-6=2,0
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12-13=1,0
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C=-2.7824,-0.2690;0,0,i0
N=-1.3313,0.1109;0,0,i0
C=-0.9347,1.5575;0,0,i1
C=0.5164,1.9374;0,0,i2
C=1.5709,0.8706;0,0,i0
C=1.1744,-0.5760;0,0,i0
C=2.2289,-1.6428;0,0,i1
C=3.6800,-1.2629;0,0,i1
C=4.0766,0.1837;0,0,i1
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C=-0.2767,-0.9559;0,0,i1
C=-1.7742,-0.8687;0,0,i2
C=-2.1541,0.5824;0,0,i2
C=-3.8369,0.7978;0,0,i3
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,2
5-6=1,0
6-7=2,0
7-8=1,0
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9-10=1,0
10-11=2,0
7-12=1,0
12-13=1,2
13-14=1,0
2-15=1,0
12-3=1,0
14-4=1,0
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<Cell id="4"><![CDATA[POB0103]]></Cell>
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<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.4325,-0.1310;0,0,i0
C=2.4165,-1.2345;0,0,i1
C=0.9529,-0.9063;0,0,i1
C=2.9849,1.3007;0,0,i1
C=1.5212,1.6288;0,0,i1
C=0.5052,0.5253;0,0,i0
C=-0.9584,0.8535;0,0,i1
C=-2.0842,-0.1378;0,0,i1
C=-1.9440,-1.6312;0,0,i0
O=-3.1673,-2.4993;0,0,i1
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C=-3.3749,0.6266;0,0,i2
O=-3.0467,2.0903;0,0,i0
C=-1.5533,2.2305;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
2-5=1,0
5-6=2,0
6-7=1,0
8-7=1,1
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9-10=1,1
10-11=1,0
10-12=2,0
9-13=1,0
13-14=1,0
14-15=1,0
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15-8=1,0
!End
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<Cell id="4"><![CDATA[POB0125]]></Cell>
<Cell id="5"><![CDATA[FC(C=C1)=CC=C1[C@H]2[C@@H](C(O)=O)COC2]]></Cell>
<Cell id="6"><![CDATA[OK: Clear:Normal]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.25]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.5417,0.0548;0,0,i0
C=-1.8653,-0.6510;0,0,i0
O=-3.1383,0.1422;0,0,i1
O=-1.9157,-2.1502;0,0,i0
N=0.8996,0.4701;0,0,i0
C=2.0828,-0.4519;0,0,i0
C=3.4729,0.1118;0,0,i3
O=1.8759,-1.9376;0,0,i0
C=0.9501,1.9692;0,0,i2
C=-0.4601,2.4805;0,0,i2
C=-1.3821,1.2973;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
3-5=2,0
2-6=1,0
6-7=1,0
7-8=1,0
7-9=2,0
6-10=1,0
10-11=1,0
11-12=1,0
12-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0848]]></Cell>
<Cell id="4"><![CDATA[POB0003]]></Cell>
<Cell id="5"><![CDATA[CC1(C(O)=O)N(C(C)=O)CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: Clear:Normal]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.14]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=0.2102,-1.2065;0,0,i3
C=-0.5531,0.0848;0,0,i1
N=-2.0530,0.0693;0,0,i0
S=-2.7896,-1.2373;0,0,i0
O=-1.4830,-1.9739;0,0,i0
C=-3.5262,-2.5440;0,0,i3
O=-4.0963,-0.5007;0,0,i0
C=-2.8164,1.3606;0,0,i2
C=-2.0798,2.6673;0,0,i2
C=-0.5798,2.6827;0,0,i2
C=0.1835,1.3914;0,0,i1
C=1.6834,1.4069;0,0,i0
N=2.4467,0.1156;0,0,i0
C=3.9400,-0.0258;0,0,i2
C=4.2670,-1.4898;0,0,i2
C=2.9757,-2.2531;0,0,i2
C=1.8507,-1.2609;0,0,i2
O=2.4200,2.7135;0,0,i0
2-1=1,1
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
4-7=2,0
3-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,1
12-13=1,0
13-14=1,0
14-15=1,0
15-16=1,0
16-17=1,0
12-18=2,0
11-2=1,0
17-13=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0849]]></Cell>
<Cell id="4"><![CDATA[POB0015]]></Cell>
<Cell id="5"><![CDATA[C[C@H]1N(S(=O)(C)=O)CCC[C@H]1C(N2CCCC2)=O]]></Cell>
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<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.34]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.4652,-0.5238;0,0,i0
C=-1.9181,-0.1512;0,0,i2
O=-2.3219,1.2935;0,0,i1
C=-0.3505,0.9718;0,0,i2
N=1.0021,1.6202;0,0,i1
C=2.2400,0.7731;0,0,i2
C=2.1253,-0.7225;0,0,i2
C=0.7727,-1.3710;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
2-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0850]]></Cell>
<Cell id="4"><![CDATA[POB0035]]></Cell>
<Cell id="5"><![CDATA[CC1(CO)CNCCC1]]></Cell>
<Cell id="6"><![CDATA[OK: Clear:Normal]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.5688,-1.6344;0,0,i0
O=0.8438,-2.1392;0,0,i0
N=-0.8378,-0.1587;0,0,i0
C=0.1978,0.9263;0,0,i1
C=-0.5141,2.2466;0,0,i2
C=-1.9897,1.9775;0,0,i2
C=-2.1898,0.4909;0,0,i1
C=-3.5101,-0.2210;0,0,i3
C=1.6844,0.7262;0,0,i0
O=2.6010,1.9136;0,0,i0
O=2.2544,-0.6613;0,0,i0
C=3.7410,-0.8613;0,0,i3
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,1
5-10=1,1
10-11=2,0
10-12=1,0
12-13=1,0
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!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0851]]></Cell>
<Cell id="4"><![CDATA[POB0050]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1[C@@H](CC[C@@H]1C)C(=O)OC]]></Cell>
<Cell id="6"><![CDATA[OK: Clear:Normal]]></Cell>
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<Cell id="1"><![CDATA[SketchEl!(10,10)
C=0.4166,-2.3203;0,0,i3
C=-0.3975,-1.0604;0,0,i1
N=-1.8956,-1.1355;0,0,i1
C=-2.7096,0.1244;0,0,i2
C=-2.0255,1.4594;0,0,i2
C=-0.5274,1.5344;0,0,i2
C=0.2866,0.2745;0,0,i1
C=1.7848,0.3495;0,0,i0
N=2.5988,-0.9104;0,0,i2
O=2.4688,1.6844;0,0,i0
2-1=1,1
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,1
8-9=1,0
8-10=2,0
7-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0852]]></Cell>
<Cell id="4"><![CDATA[POB0067]]></Cell>
<Cell id="5"><![CDATA[C[C@H]1NCCC[C@H]1C(N)=O]]></Cell>
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<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.04]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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<Cell id="1"><![CDATA[SketchEl!(16,17)
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C=-0.6846,-1.5666;0,0,i0
N=-1.7050,-2.6660;0,0,i2
C=-1.1264,-0.1331;0,0,i0
C=0.3620,0.0531;0,0,i0
C=1.2675,-1.1428;0,0,i1
C=2.7559,-0.9566;0,0,i1
C=3.3388,0.4255;0,0,i0
F=4.8272,0.6117;0,0,i0
C=2.4333,1.6214;0,0,i1
C=0.9449,1.4352;0,0,i1
C=-1.0513,1.3650;0,0,i2
N=-2.3112,2.1791;0,0,i1
C=-3.6462,1.4950;0,0,i2
C=-3.7212,-0.0031;0,0,i2
C=-2.4613,-0.8172;0,0,i2
1-2=2,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
8-10=1,0
10-11=2,0
4-12=1,0
12-13=1,0
13-14=1,0
14-15=1,0
15-16=1,0
16-4=1,0
11-5=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0853]]></Cell>
<Cell id="4"><![CDATA[POB0087]]></Cell>
<Cell id="5"><![CDATA[O=C(N)C1(C2=CC=C(F)C=C2)CNCCC1]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.9908,-0.1333;0,0,i0
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C=-1.9816,-1.7804;0,0,i1
C=-3.0398,1.0267;0,0,i1
C=-1.5597,0.7832;0,0,i1
C=-1.0306,-0.6204;0,0,i0
C=0.4495,-0.8640;0,0,i2
C=1.4005,0.2960;0,0,i0
C=2.4547,-0.7710;0,0,i0
O=3.9059,-0.3915;0,0,i0
C=4.9602,-1.4585;0,0,i3
O=2.0578,-2.2175;0,0,i0
O=2.5719,1.2330;0,0,i0
C=2.0427,2.6366;0,0,i2
C=0.5444,2.5671;0,0,i2
C=0.1474,1.1206;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
2-5=1,0
5-6=2,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
10-13=2,0
9-14=1,0
14-15=1,0
15-16=1,0
16-17=1,0
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17-9=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0854]]></Cell>
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<Cell id="5"><![CDATA[FC(C=C1)=CC=C1CC2(C(OC)=O)OCCC2]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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<Cell id="1"><![CDATA[SketchEl!(13,14)
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C=-1.9513,-1.7027;0,0,i2
C=-1.8914,-0.2039;0,0,i1
C=-0.6437,0.6286;0,0,i1
C=0.7633,0.1085;0,0,i0
C=2.0110,0.9410;0,0,i1
N=3.1884,0.0116;0,0,i0
C=4.6324,0.4178;0,0,i3
N=2.6683,-1.3954;0,0,i0
C=1.1695,-1.3355;0,0,i1
C=-1.0498,2.0725;0,0,i2
C=-2.5487,2.1324;0,0,i2
C=-3.0688,0.7255;0,0,i2
1-2=1,0
3-2=1,1
3-4=1,0
4-5=1,1
5-6=2,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0855]]></Cell>
<Cell id="4"><![CDATA[POB0126]]></Cell>
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C=-0.7049,0.0620;0,0,i0
C=-1.9998,-0.6953;0,0,i0
N=-3.3030,0.0475;0,0,i2
O=-1.9914,-2.1952;0,0,i0
N=0.7190,0.5335;0,0,i0
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C=3.1559,-1.2163;0,0,i3
O=2.8124,0.8770;0,0,i0
C=0.7107,2.0334;0,0,i2
C=-0.7185,2.4890;0,0,i2
C=-1.5934,1.2706;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
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2-6=1,0
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7-10=2,0
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12-13=1,0
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!End
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C=2.2773,0.3473;0,0,i0
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C=3.5450,0.1783;0,0,i1
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O=0.7844,2.3868;0,0,i0
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C=0.9037,-2.2029;0,0,i2
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2-3=2,0
3-4=1,0
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9-10=1,1
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<Cell id="5"><![CDATA[CC(C=CC=C1)=C1[C@H]2[C@@H](C(O)=O)COC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[3.73]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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O=-3.5595,0.4768;0,0,i0
C=-1.6923,1.7482;0,0,i2
C=-0.5325,2.6993;0,0,i2
C=0.8712,2.1705;0,0,i2
C=1.1150,0.6904;0,0,i1
C=2.5187,0.1616;0,0,i0
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C=-1.0511,-0.2995;0,0,i1
C=-0.4968,1.0944;0,0,i2
N=0.9874,1.3113;0,0,i1
C=1.9174,0.1343;0,0,i1
C=3.4016,0.3512;0,0,i3
C=1.3631,-1.2595;0,0,i2
C=-0.1211,-1.4764;0,0,i2
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3-2=1,1
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<Cell id="3"><![CDATA[Mpro-x0900]]></Cell>
<Cell id="4"><![CDATA[POB0024]]></Cell>
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C=0.1434,1.4459;0,0,i2
C=0.6007,0.0173;0,0,i1
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<Cell id="3"><![CDATA[Mpro-x0901]]></Cell>
<Cell id="4"><![CDATA[POB0042]]></Cell>
<Cell id="5"><![CDATA[C[C@H]1CNCC[C@H]1CO]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.63]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.6947,-1.1976;0,0,i1
C=3.1786,-0.9785;0,0,i1
C=3.7308,0.4161;0,0,i1
C=2.7991,1.5917;0,0,i1
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C=-1.9566,2.0442;0,0,i2
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2-3=1,0
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<Cell id="3"><![CDATA[Mpro-x0902]]></Cell>
<Cell id="4"><![CDATA[POB0089]]></Cell>
<Cell id="5"><![CDATA[OCC1(C2=CC=CC=N2)CCOCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.2508,1.0241;0,0,i1
C=-2.6721,-1.6178;0,0,i1
C=-1.1727,-1.5728;0,0,i1
C=-0.4621,-0.2518;0,0,i0
C=1.0372,-0.2067;0,0,i0
C=0.7325,1.2620;0,0,i0
O=1.8521,2.2603;0,0,i0
C=1.5473,3.7290;0,0,i3
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C=0.8213,-1.6911;0,0,i2
C=1.9988,-2.6203;0,0,i2
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2-3=2,0
3-4=1,0
2-5=1,0
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<Cell id="3"><![CDATA[Mpro-x0903]]></Cell>
<Cell id="4"><![CDATA[POB0081]]></Cell>
<Cell id="5"><![CDATA[CC(C=C1)=CC=C1C2(C(OC)=O)CCNCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.9097,2.1239;0,0,i2
C=-3.3957,1.9197;0,0,i2
C=-3.6607,0.4433;0,0,i1
C=-2.3385,-0.2650;0,0,i0
C=-1.4186,-1.4498;0,0,i0
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O=-1.9848,-2.8389;0,0,i0
C=-3.6130,-1.0560;0,0,i2
C=1.6965,0.2437;0,0,i0
C=2.2053,-1.1674;0,0,i1
C=3.6817,-1.4324;0,0,i1
C=4.6494,-0.2863;0,0,i1
C=4.1406,1.1248;0,0,i1
C=2.6642,1.3898;0,0,i1
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1-2=2,0
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3-4=1,0
4-5=1,0
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2-18=2,0
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11-6=1,0
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<Cell id="3"><![CDATA[Mpro-x0904]]></Cell>
<Cell id="4"><![CDATA[POB0098]]></Cell>
<Cell id="5"><![CDATA[O=S(N1CCC2C1(C(N)=O)C2)(C3=CC=CC=C3)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.0587,-0.8255;0,0,i2
C=-0.5607,-0.9035;0,0,i1
C=0.2567,-2.1612;0,0,i0
O=-0.4239,-3.4980;0,0,i0
C=0.3935,-4.7557;0,0,i3
O=1.7546,-2.0822;0,0,i0
C=-0.0236,0.4971;0,0,i1
C=1.4251,0.8858;0,0,i0
C=2.4862,-0.1745;0,0,i1
C=3.9349,0.2142;0,0,i1
C=4.3227,1.6632;0,0,i1
C=3.2616,2.7235;0,0,i1
C=1.8129,2.3348;0,0,i1
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C=-4.0831,2.6418;0,0,i3
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,1
6-7=1,0
7-8=1,0
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12-13=1,0
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<Cell id="3"><![CDATA[Mpro-x0905]]></Cell>
<Cell id="4"><![CDATA[POB0121]]></Cell>
<Cell id="5"><![CDATA[O=C(N1C[C@H](C(OC)=O)[C@H](C2=CC=CC=C2)C1)C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.94]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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O=4.3422,-0.7444;0,0,i0
C=3.0577,0.0301;0,0,i0
C=1.7446,-0.6950;0,0,i1
C=0.4601,0.0795;0,0,i0
C=-0.8530,-0.6457;0,0,i1
C=-2.1375,0.1289;0,0,i1
C=-2.1090,1.6286;0,0,i0
O=-3.3936,2.4032;0,0,i1
O=-0.7960,2.3538;0,0,i0
C=-3.4506,-0.5963;0,0,i2
O=-3.4791,-2.0960;0,0,i0
C=-2.1945,-2.8706;0,0,i2
C=-0.8815,-2.1454;0,0,i2
C=0.4886,1.5792;0,0,i1
C=1.8016,2.3044;0,0,i1
C=3.0862,1.5299;0,0,i1
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
6-5=1,2
6-7=1,0
7-8=1,2
8-9=1,0
8-10=2,0
7-11=1,0
11-12=1,0
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15-16=1,0
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17-3=1,0
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<Cell id="3"><![CDATA[Mpro-x0906]]></Cell>
<Cell id="4"><![CDATA[POB0136]]></Cell>
<Cell id="5"><![CDATA[COC1=CC([C@H]2[C@@H](C(O)=O)COCC2)=CC=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.18]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=0.1749,-0.4330;0,0,i1
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O=-1.7048,-1.6858;0,0,i0
C=-3.7396,-1.0861;0,0,i3
O=-3.1399,0.9487;0,0,i0
C=-1.0679,1.8485;0,0,i2
C=0.2493,2.5660;0,0,i2
C=1.5293,1.7840;0,0,i2
C=1.4921,0.2845;0,0,i1
C=2.7722,-0.4975;0,0,i0
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O=4.0894,0.2200;0,0,i0
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2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
4-7=2,0
3-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0907]]></Cell>
<Cell id="4"><![CDATA[POB0011]]></Cell>
<Cell id="5"><![CDATA[C[C@H]1N(S(=O)(C)=O)CCC[C@H]1C(O)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.02]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.0813,-0.4844;0,0,i1
C=0.5895,-0.6413;0,0,i1
C=-0.0205,-2.0117;0,0,i2
O=-1.5122,-2.1686;0,0,i1
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S=-1.7840,0.4152;0,0,i0
C=-3.2758,0.2583;0,0,i3
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C=0.3178,1.9425;0,0,i2
C=1.8096,2.0994;0,0,i2
C=2.6913,0.8859;0,0,i2
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2-3=1,0
3-4=1,1
4-5=1,0
3-6=1,0
6-7=1,0
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7-10=2,0
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11-12=1,0
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<Cell id="3"><![CDATA[Mpro-x0908]]></Cell>
<Cell id="4"><![CDATA[POB0026]]></Cell>
<Cell id="5"><![CDATA[C[C@@H]1[C@@H](CO)N(S(C)(=O)=O)CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.7]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.5070,0.3784;0,0,i3
C=-1.1710,1.5154;0,0,i2
C=0.3253,1.4095;0,0,i2
C=0.9817,0.0608;0,0,i1
C=2.4780,-0.0451;0,0,i2
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2-3=1,0
3-4=1,0
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<Cell id="3"><![CDATA[Mpro-x0909]]></Cell>
<Cell id="4"><![CDATA[POB0043]]></Cell>
<Cell id="5"><![CDATA[C[C@H]1CN(C)CC[C@H]1CO]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.0768,0.3313;0,0,i0
C=1.3420,-0.9763;0,0,i2
O=2.1070,-2.2666;0,0,i0
C=1.3722,-3.5742;0,0,i3
C=3.0675,1.4576;0,0,i2
C=2.3025,2.7479;0,0,i2
C=0.8390,2.4190;0,0,i2
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C=-0.5907,0.1604;0,0,i0
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C=-3.1886,0.1302;0,0,i0
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C=-2.4236,-1.1600;0,0,i3
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<Cell id="3"><![CDATA[Mpro-x0910]]></Cell>
<Cell id="4"><![CDATA[POB0062]]></Cell>
<Cell id="5"><![CDATA[CC1(COC)CCCN1C(OC(C)(C)C)=O]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.2508,1.0241;0,0,i1
C=-2.6721,-1.6178;0,0,i1
C=-1.1727,-1.5728;0,0,i1
C=-0.4621,-0.2518;0,0,i0
C=1.0372,-0.2067;0,0,i0
C=0.7325,1.2620;0,0,i0
O=1.8521,2.2603;0,0,i0
C=1.5473,3.7290;0,0,i3
O=-0.6918,1.7325;0,0,i0
C=0.8213,-1.6911;0,0,i2
N=1.9988,-2.6203;0,0,i1
C=3.3923,-2.0652;0,0,i2
C=3.6082,-0.5808;0,0,i2
C=2.4307,0.3484;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
2-5=1,0
5-6=2,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
9-12=2,0
8-13=1,0
13-14=1,0
14-15=1,0
15-16=1,0
16-17=1,0
7-4=2,0
17-8=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0911]]></Cell>
<Cell id="4"><![CDATA[POB0082]]></Cell>
<Cell id="5"><![CDATA[CC(C=C1)=CC=C1C2(C(OC)=O)CNCCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.1]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="811">
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O=-1.1233,2.4433;0,0,i0
C=-2.3534,1.5848;0,0,i0
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C=-3.3585,-0.8920;0,0,i2
C=-2.7746,-2.2737;0,0,i2
C=-1.2801,-2.1453;0,0,i1
C=-0.9404,-0.6842;0,0,i0
S=-0.0358,0.5123;0,0,i0
C=1.4527,0.3272;0,0,i0
C=2.0367,-1.0544;0,0,i1
C=3.5252,-1.2396;0,0,i1
C=4.4298,-0.0430;0,0,i1
C=3.8458,1.3387;0,0,i1
C=2.3573,1.5238;0,0,i1
C=0.1551,-1.7089;0,0,i2
C=-3.7118,2.2208;0,0,i3
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
7-15=1,0
2-16=1,0
7-3=1,0
15-6=1,0
14-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0912]]></Cell>
<Cell id="4"><![CDATA[POB0099]]></Cell>
<Cell id="5"><![CDATA[O=C(N1CCC2C1(SC3=CC=CC=C3)C2)C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="812">
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O=-0.5952,-3.8907;0,0,i1
C=0.1877,-2.6112;0,0,i2
C=-0.5290,-1.2935;0,0,i1
C=0.1157,0.0608;0,0,i1
C=1.5904,0.3353;0,0,i0
C=2.5654,-0.8046;0,0,i1
C=4.0401,-0.5302;0,0,i1
C=4.5398,0.8841;0,0,i1
C=3.5648,2.0240;0,0,i1
C=2.0901,1.7496;0,0,i1
C=-0.9731,1.0926;0,0,i2
N=-2.2908,0.3759;0,0,i0
C=-3.6451,1.0207;0,0,i0
C=-3.7639,2.5160;0,0,i3
O=-4.8807,0.1702;0,0,i0
C=-2.0163,-1.0988;0,0,i2
1-2=1,0
3-2=1,1
3-4=1,0
4-5=1,1
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
4-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
13-15=2,0
12-16=1,0
16-3=1,0
10-5=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0913]]></Cell>
<Cell id="4"><![CDATA[POB0122]]></Cell>
<Cell id="5"><![CDATA[OC[C@@H]1[C@H](C2=CC=CC=C2)CN(C(C)=O)C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.89]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="813">
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O=-3.3089,-2.4797;0,0,i1
C=-1.9777,-1.7884;0,0,i2
C=-1.9108,-0.2899;0,0,i1
C=-0.6592,0.5368;0,0,i1
C=0.7453,0.0102;0,0,i0
C=0.9915,-1.4695;0,0,i1
C=2.3960,-1.9961;0,0,i1
C=3.5543,-1.0431;0,0,i1
C=3.3082,0.4365;0,0,i1
C=1.9036,0.9632;0,0,i0
F=1.6575,2.4429;0,0,i0
C=-1.0587,1.9827;0,0,i2
O=-2.5572,2.0495;0,0,i0
C=-3.0838,0.6450;0,0,i2
1-2=1,0
3-2=1,1
3-4=1,0
4-5=1,1
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
4-12=1,0
12-13=1,0
13-14=1,0
14-3=1,0
10-5=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0914]]></Cell>
<Cell id="4"><![CDATA[POB0138]]></Cell>
<Cell id="5"><![CDATA[OC[C@@H]1[C@H](C2=CC=CC=C2F)COC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="814">
<Cell id="1"><![CDATA[SketchEl!(14,14)
C=0.1377,-1.9326;0,0,i3
C=0.1749,-0.4330;0,0,i1
N=-1.1051,0.3490;0,0,i0
S=-2.4224,-0.3686;0,0,i0
O=-1.7048,-1.6858;0,0,i0
C=-3.7396,-1.0861;0,0,i3
O=-3.1399,0.9487;0,0,i0
C=-1.0679,1.8485;0,0,i2
C=0.2493,2.5660;0,0,i2
C=1.5293,1.7840;0,0,i2
C=1.4921,0.2845;0,0,i1
C=2.7722,-0.4975;0,0,i0
N=2.7349,-1.9970;0,0,i2
O=4.0894,0.2200;0,0,i0
2-1=1,1
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
4-7=2,0
3-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,1
12-13=1,0
12-14=2,0
11-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0915]]></Cell>
<Cell id="4"><![CDATA[POB0012]]></Cell>
<Cell id="5"><![CDATA[C[C@H]1N(S(=O)(C)=O)CCC[C@H]1C(N)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.62]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="815">
<Cell id="1"><![CDATA[SketchEl!(12,12)
C=2.7326,-1.7945;0,0,i3
C=1.9092,-0.5407;0,0,i1
C=0.4117,-0.6269;0,0,i1
C=-0.2624,-1.9669;0,0,i2
O=-1.7600,-2.0531;0,0,i1
N=-0.4117,0.6269;0,0,i0
C=-1.9092,0.5407;0,0,i0
C=-2.7326,1.7945;0,0,i3
O=-2.5834,-0.7992;0,0,i0
C=0.2624,1.9669;0,0,i2
C=1.7600,2.0531;0,0,i2
C=2.5834,0.7992;0,0,i2
2-1=1,2
2-3=1,0
3-4=1,1
4-5=1,0
3-6=1,0
6-7=1,0
7-8=1,0
7-9=2,0
6-10=1,0
10-11=1,0
11-12=1,0
12-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0916]]></Cell>
<Cell id="4"><![CDATA[POB0027]]></Cell>
<Cell id="5"><![CDATA[C[C@@H]1[C@@H](CO)N(C(C)=O)CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.68]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=0.0493,-2.5216;0,0,i3
C=-0.4079,-1.0930;0,0,i1
C=-1.8737,-0.7747;0,0,i2
C=-2.3310,0.6539;0,0,i2
N=-1.3224,1.7642;0,0,i1
C=0.1434,1.4459;0,0,i2
C=0.6007,0.0173;0,0,i1
C=2.0665,-0.3011;0,0,i2
O=3.0751,0.8092;0,0,i1
2-1=1,2
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,2
8-9=1,0
7-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0917]]></Cell>
<Cell id="4"><![CDATA[POB0044]]></Cell>
<Cell id="5"><![CDATA[C[C@@H]1CCNC[C@@H]1CO]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.71]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="817">
<Cell id="1"><![CDATA[SketchEl!(16,16)
C=3.3177,-0.9594;0,0,i3
C=2.1605,-0.0051;0,0,i0
C=1.3323,-1.2558;0,0,i0
N=2.0014,-2.5983;0,0,i2
O=0.2408,-1.3224;0,0,i0
C=3.2305,1.0461;0,0,i2
C=2.5615,2.3886;0,0,i2
C=1.0779,2.1672;0,0,i2
N=0.8301,0.6878;0,0,i0
C=-0.5125,0.0187;0,0,i0
O=-1.7631,0.8469;0,0,i0
C=-3.1057,0.1778;0,0,i0
C=-3.7747,1.5203;0,0,i3
C=-2.4366,-1.1647;0,0,i3
C=-4.4482,-0.4912;0,0,i3
O=-0.7120,-1.0564;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
3-5=2,0
2-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
12-14=1,0
12-15=1,0
10-16=2,0
9-2=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0918]]></Cell>
<Cell id="4"><![CDATA[POB0063]]></Cell>
<Cell id="5"><![CDATA[CC1(C(N)=O)CCCN1C(OC(C)(C)C)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.82]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="818">
<Cell id="1"><![CDATA[SketchEl!(19,20)
O=0.2415,-3.5831;0,0,i1
C=0.6758,-2.1473;0,0,i0
C=-0.3504,-1.0533;0,0,i0
C=0.9051,-0.2327;0,0,i0
C=2.2437,-0.9097;0,0,i1
C=3.4992,-0.0890;0,0,i1
C=3.4163,1.4087;0,0,i0
C=4.6718,2.2294;0,0,i3
C=2.0777,2.0857;0,0,i1
C=0.8222,1.2651;0,0,i1
C=-0.9407,0.3257;0,0,i2
N=-2.4300,0.5040;0,0,i0
C=-3.0202,1.8830;0,0,i0
C=-2.1211,3.0837;0,0,i3
O=-4.5096,2.0614;0,0,i0
C=-3.3292,-0.6966;0,0,i2
C=-2.7390,-2.0756;0,0,i2
C=-1.2496,-2.2540;0,0,i2
O=2.1364,-1.8056;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
7-9=1,0
9-10=2,0
3-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
13-15=2,0
12-16=1,0
16-17=1,0
17-18=1,0
2-19=2,0
18-3=1,0
10-4=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0919]]></Cell>
<Cell id="4"><![CDATA[POB0083]]></Cell>
<Cell id="5"><![CDATA[OC(C1(C2=CC=C(C)C=C2)CN(C(C)=O)CCC1)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.32]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="819">
<Cell id="1"><![CDATA[SketchEl!(18,20)
O=-0.1731,-2.0646;0,0,i0
S=0.0643,-0.5836;0,0,i0
C=1.5454,-0.8210;0,0,i0
N=1.9364,0.6271;0,0,i0
C=0.9947,1.7946;0,0,i0
C=1.5349,3.1940;0,0,i3
O=-0.4873,1.5628;0,0,i0
C=3.4345,0.7028;0,0,i2
C=3.9694,-0.6986;0,0,i2
C=2.8019,-1.6404;0,0,i1
C=1.4641,-2.3188;0,0,i2
C=-1.4167,-0.3461;0,0,i0
C=-1.9516,1.0553;0,0,i1
C=-3.4327,1.2928;0,0,i1
C=-4.3789,0.1289;0,0,i1
C=-3.8440,-1.2725;0,0,i1
C=-2.3629,-1.5100;0,0,i1
O=0.3018,0.8975;0,0,i0
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
5-7=2,0
4-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
2-12=1,0
12-13=2,0
13-14=1,0
14-15=2,0
15-16=1,0
16-17=2,0
2-18=2,0
10-3=1,0
11-3=1,0
17-12=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0920]]></Cell>
<Cell id="4"><![CDATA[POB0101]]></Cell>
<Cell id="5"><![CDATA[O=S(C12N(C(C)=O)CCC1C2)(C3=CC=CC=C3)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.63]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="820">
<Cell id="1"><![CDATA[SketchEl!(15,16)
C=3.8278,-2.0437;0,0,i3
N=3.0055,-0.7891;0,0,i0
N=3.5372,0.6135;0,0,i0
C=2.3675,1.5525;0,0,i1
C=1.5072,-0.7169;0,0,i1
C=1.1129,0.7303;0,0,i0
C=-0.2897,1.2619;0,0,i1
C=-1.5443,0.4397;0,0,i1
C=-1.6164,-1.0586;0,0,i0
O=-2.9501,-1.7452;0,0,i0
C=-3.0223,-3.2435;0,0,i3
O=-0.3550,-1.8702;0,0,i0
C=-2.7139,1.3787;0,0,i2
C=-2.1823,2.7814;0,0,i2
C=-0.6840,2.7092;0,0,i2
1-2=1,0
2-3=1,0
3-4=2,0
2-5=1,0
5-6=2,0
7-6=1,1
7-8=1,0
8-9=1,1
9-10=1,0
10-11=1,0
9-12=2,0
8-13=1,0
13-14=1,0
14-15=1,0
6-4=1,0
15-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0921]]></Cell>
<Cell id="4"><![CDATA[POB0123]]></Cell>
<Cell id="5"><![CDATA[CN(N=C1)C=C1[C@H]2[C@@H](C(OC)=O)CCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.09]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="821">
<Cell id="1"><![CDATA[SketchEl!(14,15)
O=-3.3089,-2.4797;0,0,i1
C=-1.9777,-1.7884;0,0,i2
C=-1.9108,-0.2899;0,0,i1
C=-0.6592,0.5368;0,0,i1
C=0.7453,0.0102;0,0,i0
C=0.9915,-1.4695;0,0,i1
C=2.3960,-1.9961;0,0,i1
C=3.5543,-1.0431;0,0,i1
C=3.3082,0.4365;0,0,i1
C=1.9036,0.9632;0,0,i0
F=1.6575,2.4429;0,0,i0
C=-1.0587,1.9827;0,0,i2
N=-2.5572,2.0495;0,0,i1
C=-3.0838,0.6450;0,0,i2
1-2=1,0
3-2=1,1
3-4=1,0
4-5=1,1
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
4-12=1,0
12-13=1,0
13-14=1,0
14-3=1,0
10-5=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0922]]></Cell>
<Cell id="4"><![CDATA[POB0139]]></Cell>
<Cell id="5"><![CDATA[OC[C@@H]1[C@H](C2=CC=CC=C2F)CNC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.09]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="822">
<Cell id="1"><![CDATA[SketchEl!(15,16)
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C=-2.3712,-0.8645;0,0,i1
C=-3.8156,-0.4597;0,0,i2
O=-4.1872,0.9935;0,0,i0
C=-3.1145,2.0420;0,0,i2
C=-1.6702,1.6372;0,0,i2
C=-1.2985,0.1840;0,0,i1
C=0.1458,-0.2207;0,0,i0
C=0.5175,-1.6740;0,0,i1
C=1.9619,-2.0787;0,0,i1
C=3.0346,-1.0302;0,0,i1
C=2.6629,0.4230;0,0,i0
O=3.7356,1.4715;0,0,i0
C=5.1800,1.0667;0,0,i3
C=1.2185,0.8277;0,0,i1
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2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
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7-8=1,1
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9-10=1,0
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<Cell id="3"><![CDATA[Mpro-x0923]]></Cell>
<Cell id="4"><![CDATA[POB0140]]></Cell>
<Cell id="5"><![CDATA[N[C@H]1COCC[C@H]1C2=CC=CC(OC)=C2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.11]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.9777,-1.7884;0,0,i2
C=-1.9108,-0.2899;0,0,i1
C=-0.6592,0.5368;0,0,i1
C=0.7453,0.0102;0,0,i0
C=0.9915,-1.4695;0,0,i1
C=2.3960,-1.9961;0,0,i1
C=3.5543,-1.0431;0,0,i1
C=3.3082,0.4365;0,0,i1
C=1.9036,0.9632;0,0,i0
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C=-1.0587,1.9827;0,0,i2
O=-2.5572,2.0495;0,0,i0
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3-2=1,1
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<Cell id="3"><![CDATA[Mpro-x0924]]></Cell>
<Cell id="4"><![CDATA[POB0141]]></Cell>
<Cell id="5"><![CDATA[NC[C@@H]1[C@H](C2=CC=CC=C2F)COC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.36]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.2912,-0.0350;0,0,i2
C=2.0111,0.7469;0,0,i0
N=0.6939,0.0293;0,0,i0
C=-0.5862,0.8112;0,0,i0
C=-1.9034,0.0936;0,0,i0
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C=0.1317,-1.6395;0,0,i3
C=-2.4666,-2.2672;0,0,i2
C=-3.7467,-1.4852;0,0,i2
C=-3.3986,-0.0262;0,0,i1
C=-2.7547,1.3286;0,0,i2
C=-0.5490,2.3108;0,0,i1
C=0.7682,3.0284;0,0,i1
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2-3=1,0
3-4=1,0
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<Cell id="3"><![CDATA[Mpro-x0925]]></Cell>
<Cell id="4"><![CDATA[POB0156]]></Cell>
<Cell id="5"><![CDATA[COCC1=NC(C23N(C)CCC2C3)=CC=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
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<Cell id="8"><![CDATA[3.51]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.8253,0.5127;0,0,i0
N=2.0012,-0.7406;0,0,i0
C=0.5037,-0.6536;0,0,i1
N=2.1519,1.8531;0,0,i0
C=0.6544,1.9401;0,0,i1
C=-0.1697,0.6867;0,0,i0
C=-1.6671,0.7737;0,0,i0
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C=-0.8556,-1.7731;0,0,i0
C=0.5955,-1.3931;0,0,i3
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C=-4.0664,0.4077;0,0,i2
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C=-1.7371,2.2721;0,0,i2
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
3-6=1,0
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7-8=1,0
8-9=1,0
9-10=1,0
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11-12=1,0
11-13=2,0
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14-15=1,0
15-16=1,0
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16-9=1,0
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<Cell id="3"><![CDATA[Mpro-x0926]]></Cell>
<Cell id="4"><![CDATA[POB0157]]></Cell>
<Cell id="5"><![CDATA[COC(N=C1)=NC=C1C23N(C(C)=O)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[3.49]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-1.8336,-0.2870;0,0,i0
N=-2.8776,0.7901;0,0,i0
C=-2.4669,2.2327;0,0,i1
C=-1.0122,2.5984;0,0,i1
C=0.0319,1.5214;0,0,i1
C=-0.3789,0.0787;0,0,i0
C=0.6652,-0.9983;0,0,i0
N=1.8454,-0.0726;0,0,i0
C=1.7902,1.4264;0,0,i0
C=0.4645,2.1281;0,0,i3
O=3.0608,2.2237;0,0,i0
C=3.0906,-0.9090;0,0,i2
C=2.6799,-2.3517;0,0,i2
C=1.1809,-2.4069;0,0,i1
C=-0.2968,-2.1492;0,0,i2
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
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8-9=1,0
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11-12=1,0
11-13=2,0
10-14=1,0
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15-16=1,0
16-17=1,0
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16-9=1,0
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<Cell id="3"><![CDATA[Mpro-x0927]]></Cell>
<Cell id="4"><![CDATA[POB0158]]></Cell>
<Cell id="5"><![CDATA[COC1=NC=CC=C1C23N(C(C)=O)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.72]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=3.8186,0.3842;0,0,i2
C=2.3566,0.7197;0,0,i0
N=1.3350,-0.3787;0,0,i0
C=-0.1270,-0.0432;0,0,i0
C=-1.1485,-1.1416;0,0,i0
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C=-2.3235,1.2593;0,0,i0
C=-3.6103,2.0302;0,0,i3
O=-1.2279,2.2839;0,0,i0
C=-3.5753,-1.1024;0,0,i2
C=-3.1348,-2.5363;0,0,i2
C=-1.6350,-2.5605;0,0,i1
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C=-0.5674,1.3907;0,0,i1
C=0.4541,2.4890;0,0,i1
C=1.9161,2.1535;0,0,i1
1-2=1,0
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8-9=1,0
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13-14=1,0
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16-17=1,0
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18-4=1,0
14-7=1,0
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<Cell id="3"><![CDATA[Mpro-x0928]]></Cell>
<Cell id="4"><![CDATA[POB0159]]></Cell>
<Cell id="5"><![CDATA[COCC1=NC(C23N(C(C)=O)CCC2C3)=CC=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[3.21]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-1.1673,-1.5727;0,0,i0
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C=-3.1278,0.1321;0,0,i0
F=-4.6002,0.4185;0,0,i0
C=-2.1436,1.2640;0,0,i1
N=-0.6712,0.9776;0,0,i0
C=-0.1830,-0.4408;0,0,i0
C=1.2894,-0.7272;0,0,i0
N=1.7281,0.7072;0,0,i0
C=0.8256,1.9053;0,0,i0
C=-0.6632,2.0884;0,0,i3
O=1.4119,3.2860;0,0,i0
C=3.2279,0.7332;0,0,i2
C=3.7160,-0.6852;0,0,i2
C=2.5180,-1.5877;0,0,i1
C=1.1584,-2.2215;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
4-6=2,0
6-7=1,0
2-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
11-13=2,0
10-14=1,0
14-15=1,0
15-16=1,0
16-17=1,0
8-7=2,0
16-9=1,0
17-9=1,0
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<Cell id="3"><![CDATA[Mpro-x0929]]></Cell>
<Cell id="4"><![CDATA[POB0160]]></Cell>
<Cell id="5"><![CDATA[CC(C=C(F)C=N1)=C1C23N(C(C)=O)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="8"><![CDATA[3.73]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-1.9973,-0.0915;0,0,i0
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C=-2.2581,2.4934;0,0,i1
C=-0.7656,2.6440;0,0,i1
C=0.1110,1.4268;0,0,i1
C=-0.5049,0.0591;0,0,i0
C=0.3717,-1.1581;0,0,i0
N=1.6739,-0.4136;0,0,i0
S=1.8369,1.0775;0,0,i0
C=1.9999,2.5687;0,0,i3
O=0.9136,1.4180;0,0,i0
O=3.3280,0.9145;0,0,i0
C=2.7844,-1.4219;0,0,i2
C=2.1686,-2.7897;0,0,i2
C=0.6775,-2.6267;0,0,i1
C=-0.7472,-2.1572;0,0,i2
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
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8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
11-13=2,0
11-14=2,0
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15-16=1,0
16-17=1,0
17-18=1,0
8-3=1,0
17-9=1,0
18-9=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0930]]></Cell>
<Cell id="4"><![CDATA[POB0161]]></Cell>
<Cell id="5"><![CDATA[COC1=NC=CC=C1C23N(S(C)(=O)=O)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.75]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-1.3357,-1.6157;0,0,i0
C=-2.7888,-1.2437;0,0,i1
C=-3.1932,0.2008;0,0,i0
F=-4.6463,0.5728;0,0,i0
C=-2.1445,1.2732;0,0,i1
N=-0.6913,0.9012;0,0,i0
C=-0.2870,-0.5433;0,0,i0
C=1.1662,-0.9153;0,0,i0
N=1.6881,0.4910;0,0,i0
S=0.8571,1.7398;0,0,i0
C=0.0262,2.9886;0,0,i3
O=2.1059,2.5707;0,0,i0
O=0.1063,1.4719;0,0,i0
C=3.1868,0.4292;0,0,i2
C=3.5912,-1.0153;0,0,i2
C=2.3424,-1.8462;0,0,i1
C=0.9481,-2.3994;0,0,i2
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
4-6=2,0
6-7=1,0
2-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
11-13=2,0
11-14=2,0
10-15=1,0
15-16=1,0
16-17=1,0
17-18=1,0
8-7=2,0
17-9=1,0
18-9=1,0
!End
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<Cell id="3"><![CDATA[Mpro-x0931]]></Cell>
<Cell id="4"><![CDATA[POB0162]]></Cell>
<Cell id="5"><![CDATA[CC(C=C(F)C=N1)=C1C23N(S(C)(=O)=O)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.49]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-0.0101,-0.3888;0,0,i0
C=1.4817,-0.2315;0,0,i0
C=2.3637,-1.4448;0,0,i1
N=3.8554,-1.2875;0,0,i0
C=4.4651,0.0830;0,0,i1
C=3.5831,1.2962;0,0,i1
C=2.0913,1.1390;0,0,i1
C=-0.8921,0.8245;0,0,i0
N=-2.1909,0.0741;0,0,i0
C=-2.3473,-1.4177;0,0,i0
C=-3.7174,-2.0282;0,0,i3
O=-1.2500,-2.4404;0,0,i0
C=-3.3060,1.0775;0,0,i2
C=-2.6963,2.4480;0,0,i2
C=-1.2044,2.2916;0,0,i1
C=0.2223,1.8285;0,0,i2
1-2=2,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
2-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
11-13=2,0
10-14=1,0
14-15=1,0
15-16=1,0
16-17=1,0
8-3=1,0
16-9=1,0
17-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0932]]></Cell>
<Cell id="4"><![CDATA[POB0163]]></Cell>
<Cell id="5"><![CDATA[O=C(C1=CN=CC=C1)C23N(C(C)=O)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="832">
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C=-2.7844,-1.4219;0,0,i2
C=-2.1686,-2.7897;0,0,i2
C=-0.6775,-2.6267;0,0,i1
C=-0.3717,-1.1581;0,0,i0
C=0.5049,0.0591;0,0,i0
C=-0.1110,1.4268;0,0,i1
C=0.7656,2.6440;0,0,i1
C=2.2581,2.4934;0,0,i1
C=2.8739,1.1257;0,0,i1
C=1.9973,-0.0915;0,0,i0
O=2.6131,-1.4593;0,0,i0
C=4.1055,-1.6098;0,0,i3
C=0.7472,-2.1572;0,0,i2
O=-0.9136,1.4180;0,0,i0
O=-3.3280,0.9145;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
14-15=1,0
7-16=1,0
2-17=2,0
2-18=2,0
7-3=1,0
16-6=1,0
13-8=1,0
!End
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<Cell id="3"><![CDATA[Mpro-x0933]]></Cell>
<Cell id="4"><![CDATA[POB0164]]></Cell>
<Cell id="5"><![CDATA[CS(N1CCC2C1(C3=CC=CC=C3OC)C2)(=O)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.37]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-1.8765,-0.0605;0,0,i1
C=-0.3819,0.0672;0,0,i1
C=-1.6553,-2.6492;0,0,i1
C=-0.1608,-2.5215;0,0,i1
C=0.4759,-1.1633;0,0,i0
C=1.9705,-1.0356;0,0,i0
N=1.9997,0.4641;0,0,i0
C=0.8036,1.3692;0,0,i0
C=0.9895,2.8577;0,0,i1
N=-0.2066,3.7629;0,0,i0
C=-1.5886,3.1796;0,0,i1
C=-1.7744,1.6911;0,0,i1
C=-0.5783,0.7860;0,0,i1
C=3.4351,0.8997;0,0,i2
C=4.2929,-0.3308;0,0,i2
C=3.3878,-1.5269;0,0,i1
C=2.2537,-2.5087;0,0,i2
1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
3-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
10-17=1,0
17-18=1,0
18-19=1,0
19-20=1,0
8-5=2,0
19-9=1,0
20-9=1,0
16-11=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0934]]></Cell>
<Cell id="4"><![CDATA[POB0165]]></Cell>
<Cell id="5"><![CDATA[COC(C=C1)=CC=C1C23N(C4=CN=CC=C4)CCC2C3]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.89]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="834">
<Cell id="1"><![CDATA[SketchEl!(6,6)
Br=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
C=-0.0684,1.2135;0,0,i1
N=-1.4949,0.7500;0,0,i1
N=-1.4949,-0.7500;0,0,i0
C=-0.0684,-1.2135;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=2,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0935]]></Cell>
<Cell id="4"><![CDATA[NCL-00023819]]></Cell>
<Cell id="5"><![CDATA[BrC1=CNN=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.27]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="835">
<Cell id="1"><![CDATA[SketchEl!(6,6)
Br=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
C=-0.0684,1.2135;0,0,i1
O=-1.4949,0.7500;0,0,i0
N=-1.4949,-0.7500;0,0,i0
C=-0.0684,-1.2135;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=2,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0936]]></Cell>
<Cell id="4"><![CDATA[NCL-00023820]]></Cell>
<Cell id="5"><![CDATA[BrC1=CON=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.81]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="836">
<Cell id="1"><![CDATA[SketchEl!(8,8)
N=-2.5981,-1.1250;0,0,i2
C=-1.2990,-0.3750;0,0,i0
N=-1.2990,1.1250;0,0,i0
C=0.0000,1.8750;0,0,i1
C=1.2990,1.1250;0,0,i1
C=1.2990,-0.3750;0,0,i0
I=2.5981,-1.1250;0,0,i0
C=-0.0000,-1.1250;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
6-8=2,0
8-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0937]]></Cell>
<Cell id="4"><![CDATA[NCL-00023822]]></Cell>
<Cell id="5"><![CDATA[NC1=NC=CC(I)=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.21]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="837">
<Cell id="1"><![CDATA[SketchEl!(8,8)
O=2.5981,-1.1250;0,0,i0
C=1.2990,-0.3750;0,0,i0
C=-0.0000,-1.1250;0,0,i1
C=-1.2990,-0.3750;0,0,i0
I=-2.5981,-1.1250;0,0,i0
C=-1.2990,1.1250;0,0,i1
C=-0.0000,1.8750;0,0,i1
N=1.2990,1.1250;0,0,i1
1-2=2,0
2-3=1,0
3-4=2,0
4-5=1,0
4-6=1,0
6-7=2,0
7-8=1,0
8-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0938]]></Cell>
<Cell id="4"><![CDATA[NCL-00023824]]></Cell>
<Cell id="5"><![CDATA[O=C1C=C(I)C=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.57]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="838">
<Cell id="1"><![CDATA[SketchEl!(11,11)
I=3.9545,0.0000;0,0,i0
C=2.4545,-0.0000;0,0,i0
C=1.7045,-1.2990;0,0,i1
C=0.2045,-1.2990;0,0,i1
C=-0.5455,0.0000;0,0,i0
S=-2.0455,0.0000;0,0,i0
N=-3.5455,-0.0000;0,0,i2
O=-2.0455,1.5000;0,0,i0
O=-2.0455,-1.5000;0,0,i0
C=0.2045,1.2990;0,0,i1
C=1.7045,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
6-8=2,0
6-9=2,0
5-10=1,0
10-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0939]]></Cell>
<Cell id="4"><![CDATA[NCL-00023829]]></Cell>
<Cell id="5"><![CDATA[IC1=CC=C(S(N)(=O)=O)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.2]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="839">
<Cell id="1"><![CDATA[SketchEl!(11,11)
Br=-4.0738,-0.6025;0,0,i0
C=-2.6249,-0.2143;0,0,i0
C=-2.2367,1.2346;0,0,i1
C=-0.7878,1.6228;0,0,i1
C=0.2729,0.5622;0,0,i0
N=1.7218,0.9504;0,0,i1
C=2.7824,-0.1103;0,0,i0
C=4.2313,0.2780;0,0,i3
O=2.3942,-1.5592;0,0,i0
C=-0.1153,-0.8867;0,0,i1
C=-1.5642,-1.2750;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
7-9=2,0
5-10=1,0
10-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0940]]></Cell>
<Cell id="4"><![CDATA[NCL-00023828]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC=C(NC(C)=O)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.22]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="840">
<Cell id="1"><![CDATA[SketchEl!(7,7)
Br=2.5714,0.0000;0,0,i0
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
N=-1.1786,-1.2990;0,0,i0
C=-1.9286,0.0000;0,0,i1
N=-1.1786,1.2990;0,0,i0
C=0.3214,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0941]]></Cell>
<Cell id="4"><![CDATA[NCL-00023832]]></Cell>
<Cell id="5"><![CDATA[BrC1=CN=CN=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.68]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="841">
<Cell id="1"><![CDATA[SketchEl!(9,9)
Br=2.9669,-1.2485;0,0,i0
C=1.7111,-0.4281;0,0,i0
C=0.3727,-1.1055;0,0,i1
C=-0.8831,-0.2852;0,0,i0
O=-2.2214,-0.9626;0,0,i0
C=-3.4772,-0.1422;0,0,i3
N=-0.8005,1.2126;0,0,i0
C=0.5378,1.8899;0,0,i1
C=1.7936,1.0696;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
4-7=2,0
7-8=1,0
8-9=2,0
9-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0942]]></Cell>
<Cell id="4"><![CDATA[NCL-00023836]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(OC)=NC=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[5.21]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="842">
<Cell id="1"><![CDATA[SketchEl!(6,6)
I=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
C=-0.0684,1.2135;0,0,i1
N=-1.4949,0.7500;0,0,i1
N=-1.4949,-0.7500;0,0,i0
C=-0.0684,-1.2135;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=2,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0943]]></Cell>
<Cell id="4"><![CDATA[NCL-00023818]]></Cell>
<Cell id="5"><![CDATA[IC1=CNN=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[2.92]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="843">
<Cell id="1"><![CDATA[SketchEl!(8,8)
N=-2.5981,-1.1250;0,0,i2
C=-1.2990,-0.3750;0,0,i0
N=-1.2990,1.1250;0,0,i0
C=0.0000,1.8750;0,0,i1
C=1.2990,1.1250;0,0,i1
C=1.2990,-0.3750;0,0,i0
Br=2.5981,-1.1250;0,0,i0
C=-0.0000,-1.1250;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
6-8=2,0
8-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0944]]></Cell>
<Cell id="4"><![CDATA[NCL-00023823]]></Cell>
<Cell id="5"><![CDATA[NC1=NC=CC(Br)=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[4.44]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="844">
<Cell id="1"><![CDATA[SketchEl!(8,8)
O=2.5981,-1.1250;0,0,i0
C=1.2990,-0.3750;0,0,i0
C=-0.0000,-1.1250;0,0,i1
C=-1.2990,-0.3750;0,0,i0
Br=-2.5981,-1.1250;0,0,i0
C=-1.2990,1.1250;0,0,i1
C=-0.0000,1.8750;0,0,i1
N=1.2990,1.1250;0,0,i1
1-2=2,0
2-3=1,0
3-4=2,0
4-5=1,0
4-6=1,0
6-7=2,0
7-8=1,0
8-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0945]]></Cell>
<Cell id="4"><![CDATA[NCL-00023825]]></Cell>
<Cell id="5"><![CDATA[O=C1C=C(Br)C=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.71]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="845">
<Cell id="1"><![CDATA[SketchEl!(11,12)
O=-4.0417,-0.3629;0,0,i0
C=-2.5531,-0.1786;0,0,i0
C=-1.8272,1.1340;0,0,i2
C=-0.3544,0.8493;0,0,i0
C=-0.1702,-0.6394;0,0,i0
C=1.2112,-1.2241;0,0,i1
C=2.4082,-0.3202;0,0,i0
Br=3.7896,-0.9050;0,0,i0
C=2.2240,1.1684;0,0,i1
C=0.8426,1.7532;0,0,i1
N=-1.5290,-1.2746;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
7-9=1,0
9-10=2,0
5-11=1,0
11-2=1,0
10-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0947]]></Cell>
<Cell id="4"><![CDATA[NCL-00023827]]></Cell>
<Cell id="5"><![CDATA[O=C1CC2=C(C=C(Br)C=C2)N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.14]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="846">
<Cell id="1"><![CDATA[SketchEl!(10,10)
I=3.7500,0.0000;0,0,i0
C=2.2500,-0.0000;0,0,i0
C=1.5000,-1.2990;0,0,i1
C=-0.0000,-1.2990;0,0,i1
C=-0.7500,0.0000;0,0,i0
C=-2.2500,0.0000;0,0,i0
N=-3.0000,1.2990;0,0,i2
O=-3.0000,-1.2990;0,0,i0
C=0.0000,1.2990;0,0,i1
C=1.5000,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
6-8=2,0
5-9=1,0
9-10=2,0
10-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0948]]></Cell>
<Cell id="4"><![CDATA[NCL-00023826]]></Cell>
<Cell id="5"><![CDATA[IC1=CC=C(C(N)=O)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.71]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="847">
<Cell id="1"><![CDATA[SketchEl!(7,7)
I=2.5714,0.0000;0,0,i0
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
N=-1.1786,-1.2990;0,0,i0
C=-1.9286,0.0000;0,0,i1
N=-1.1786,1.2990;0,0,i0
C=0.3214,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0949]]></Cell>
<Cell id="4"><![CDATA[NCL-00023831]]></Cell>
<Cell id="5"><![CDATA[IC1=CN=CN=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.65]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="848">
<Cell id="1"><![CDATA[SketchEl!(11,12)
Br=-1.7578,2.3964;0,0,i0
C=-1.4243,0.9340;0,0,i0
C=-2.5240,-0.0861;0,0,i1
C=-2.1905,-1.5485;0,0,i1
N=-0.7572,-1.9909;0,0,i0
C=0.3425,-0.9709;0,0,i0
N=1.7758,-1.4133;0,0,i0
C=2.8756,-0.3932;0,0,i1
C=2.5421,1.0692;0,0,i1
C=1.1088,1.5116;0,0,i1
C=0.0090,0.4916;0,0,i0
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-2=1,0
11-6=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0950]]></Cell>
<Cell id="4"><![CDATA[NCL-00023833]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC=NC2=NC=CC=C21]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.91]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="849">
<Cell id="1"><![CDATA[SketchEl!(11,11)
Br=3.9545,0.0000;0,0,i0
C=2.4545,-0.0000;0,0,i0
C=1.7045,-1.2990;0,0,i1
C=0.2045,-1.2990;0,0,i1
C=-0.5455,0.0000;0,0,i0
S=-2.0455,0.0000;0,0,i0
C=-3.5455,-0.0000;0,0,i3
O=-2.0455,-1.5000;0,0,i0
O=-2.0455,1.5000;0,0,i0
C=0.2045,1.2990;0,0,i1
C=1.7045,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
6-8=2,0
6-9=2,0
5-10=1,0
10-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0951]]></Cell>
<Cell id="4"><![CDATA[NCL-00023835]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC=C(S(C)(=O)=O)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.91]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="850">
<Cell id="1"><![CDATA[SketchEl!(10,10)
O=-1.7786,-2.2269;0,0,i1
C=-0.6000,-1.2990;0,0,i0
C=-0.8143,0.1856;0,0,i0
O=-2.2071,0.7423;0,0,i0
C=-2.4214,2.2269;0,0,i3
C=0.3643,1.1135;0,0,i1
C=1.7571,0.5567;0,0,i0
Br=2.9357,1.4846;0,0,i0
C=1.9714,-0.9279;0,0,i1
C=0.7929,-1.8558;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
3-6=1,0
6-7=2,0
7-8=1,0
7-9=1,0
9-10=2,0
10-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0952]]></Cell>
<Cell id="4"><![CDATA[NCL-00024774]]></Cell>
<Cell id="5"><![CDATA[OC1=C(OC)C=C(Br)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.8]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="851">
<Cell id="1"><![CDATA[SketchEl!(10,10)
O=-1.7206,-2.0861;0,0,i1
C=-0.5162,-1.1921;0,0,i0
C=-0.6882,0.2980;0,0,i0
C=-2.0647,0.8941;0,0,i0
N=-3.4412,1.4901;0,0,i0
C=0.5162,1.1921;0,0,i1
C=1.8927,0.5960;0,0,i0
Br=3.0971,1.4901;0,0,i0
C=2.0647,-0.8941;0,0,i1
C=0.8603,-1.7881;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=3,0
3-6=1,0
6-7=2,0
7-8=1,0
7-9=1,0
9-10=2,0
10-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0953]]></Cell>
<Cell id="4"><![CDATA[NCL-00024661]]></Cell>
<Cell id="5"><![CDATA[OC1=C(C#N)C=C(Br)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="852">
<Cell id="1"><![CDATA[SketchEl!(9,9)
Br=-3.1453,-1.4323;0,0,i0
C=-2.0105,-0.4513;0,0,i0
C=-0.5499,-0.7928;0,0,i1
N=0.2262,0.4908;0,0,i0
C=1.7209,0.6174;0,0,i2
C=2.5779,-0.6137;0,0,i2
O=4.0725,-0.4870;0,0,i1
N=-0.7547,1.6256;0,0,i0
C=-2.1371,1.0433;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
4-8=1,0
8-9=2,0
9-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0954]]></Cell>
<Cell id="4"><![CDATA[NCL-00024671]]></Cell>
<Cell id="5"><![CDATA[BrC1=CN(CCO)N=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.49]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="853">
<Cell id="1"><![CDATA[SketchEl!(11,11)
Br=3.6643,-0.5929;0,0,i0
C=2.2261,-0.1668;0,0,i0
C=1.1380,-1.1993;0,0,i1
C=-0.3002,-0.7732;0,0,i0
C=-1.3883,-1.8057;0,0,i0
N=-2.4764,-2.8382;0,0,i0
C=-0.6503,0.6853;0,0,i0
O=-2.0885,1.1114;0,0,i0
C=-2.4386,2.5700;0,0,i3
C=0.4378,1.7178;0,0,i1
C=1.8760,1.2917;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=3,0
4-7=2,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0955]]></Cell>
<Cell id="4"><![CDATA[NCL-00024663]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(C#N)=C(OC)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.84]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="854">
<Cell id="1"><![CDATA[SketchEl!(10,10)
Br=-3.2141,-1.5316;0,0,i0
C=-2.1725,-0.4522;0,0,i0
C=-0.6871,-0.6604;0,0,i1
N=-0.0300,0.6881;0,0,i0
C=1.4471,0.9491;0,0,i2
C=2.4117,-0.1996;0,0,i0
O=3.8888,0.0615;0,0,i1
O=1.8992,-1.6093;0,0,i0
N=-1.1095,1.7296;0,0,i0
C=-2.4336,1.0249;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
6-8=2,0
4-9=1,0
9-10=2,0
10-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0956]]></Cell>
<Cell id="4"><![CDATA[NCL-00024890]]></Cell>
<Cell id="5"><![CDATA[BrC1=CN(CC(O)=O)N=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="855">
<Cell id="1"><![CDATA[SketchEl!(12,12)
O=0.7019,-2.7285;0,0,i0
C=1.0401,-1.2671;0,0,i0
N=-0.0564,-0.2436;0,0,i0
C=-1.4911,-0.6814;0,0,i2
C=-2.5875,0.3422;0,0,i2
O=-4.0222,-0.0956;0,0,i0
C=-5.1187,0.9280;0,0,i3
C=0.2818,1.2178;0,0,i1
C=1.7165,1.6556;0,0,i1
C=2.8130,0.6320;0,0,i0
Br=4.2477,1.0698;0,0,i0
C=2.4748,-0.8293;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
3-8=1,0
8-9=2,0
9-10=1,0
10-11=1,0
10-12=2,0
12-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0957]]></Cell>
<Cell id="4"><![CDATA[NCL-00024387]]></Cell>
<Cell id="5"><![CDATA[O=C1N(CCOC)C=CC(Br)=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.88]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="856">
<Cell id="1"><![CDATA[SketchEl!(13,13)
Br=-3.6747,-1.8126;0,0,i0
C=-2.3136,-1.1820;0,0,i0
C=-2.1792,0.3120;0,0,i1
C=-0.8182,0.9425;0,0,i0
O=-0.6837,2.4365;0,0,i0
C=-1.9103,3.2999;0,0,i3
C=0.4084,0.0791;0,0,i0
C=1.7695,0.7096;0,0,i2
C=2.9961,-0.1538;0,0,i0
O=4.3571,0.4768;0,0,i1
O=2.8616,-1.6477;0,0,i0
C=0.2740,-1.4149;0,0,i1
C=-1.0870,-2.0454;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
4-7=2,0
7-8=1,0
8-9=1,0
9-10=1,0
9-11=2,0
7-12=1,0
12-13=2,0
13-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0958]]></Cell>
<Cell id="4"><![CDATA[NCL-00024665]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(OC)=C(CC(O)=O)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="857">
<Cell id="1"><![CDATA[SketchEl!(9,9)
Br=2.9669,-1.2485;0,0,i0
C=1.7111,-0.4281;0,0,i0
C=0.3727,-1.1055;0,0,i1
C=-0.8831,-0.2852;0,0,i0
C=-2.2214,-0.9626;0,0,i2
O=-3.4772,-0.1422;0,0,i1
N=-0.8005,1.2126;0,0,i0
C=0.5378,1.8899;0,0,i1
C=1.7936,1.0696;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
4-7=2,0
7-8=1,0
8-9=2,0
9-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0959]]></Cell>
<Cell id="4"><![CDATA[NCL-00024670]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(CO)=NC=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="858">
<Cell id="1"><![CDATA[SketchEl!(10,10)
Br=3.3439,-1.4390;0,0,i0
C=2.1579,-0.5207;0,0,i0
C=0.7695,-1.0887;0,0,i1
C=-0.4165,-0.1704;0,0,i0
C=-1.8048,-0.7384;0,0,i2
O=-2.9908,0.1799;0,0,i0
C=-4.3791,-0.3880;0,0,i3
N=-0.2142,1.3159;0,0,i0
C=1.1741,1.8839;0,0,i1
C=2.3601,0.9656;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
4-8=2,0
8-9=1,0
9-10=2,0
10-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0960]]></Cell>
<Cell id="4"><![CDATA[NCL-00024674]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(COC)=NC=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.9]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="859">
<Cell id="1"><![CDATA[SketchEl!(11,11)
Br=-3.4932,-0.7685;0,0,i0
C=-1.9985,-0.6425;0,0,i0
C=-1.3603,0.7149;0,0,i1
C=0.1344,0.8409;0,0,i0
O=0.7726,2.1984;0,0,i0
C=-0.0839,3.4298;0,0,i3
C=0.9909,-0.3905;0,0,i0
C=2.4856,-0.2645;0,0,i2
O=3.3420,-1.4960;0,0,i1
C=0.3526,-1.7480;0,0,i1
C=-1.1421,-1.8740;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
4-7=2,0
7-8=1,0
8-9=1,0
7-10=1,0
10-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0961]]></Cell>
<Cell id="4"><![CDATA[NCL-00024662]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(OC)=C(CO)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[2.84]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="860">
<Cell id="1"><![CDATA[SketchEl!(11,11)
Br=3.8254,0.0221;0,0,i0
C=2.3278,0.1061;0,0,i0
C=1.5062,-1.1490;0,0,i1
C=0.0086,-1.0650;0,0,i0
O=-0.8129,-2.3200;0,0,i1
C=-0.6675,0.2740;0,0,i0
C=-2.1652,0.3579;0,0,i0
O=-2.8413,1.6969;0,0,i1
O=-2.9867,-0.8971;0,0,i0
C=0.1540,1.5290;0,0,i1
C=1.6517,1.4450;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
4-6=2,0
6-7=1,0
7-8=1,0
7-9=2,0
6-10=1,0
10-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0962]]></Cell>
<Cell id="4"><![CDATA[NCL-00024667]]></Cell>
<Cell id="5"><![CDATA[BrC1=CC(O)=C(C(O)=O)C=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="861">
<Cell id="1"><![CDATA[SketchEl!(10,10)
Br=-3.4429,-1.7240;0,0,i0
C=-2.4456,-0.6035;0,0,i0
C=-0.9530,-0.7516;0,0,i1
N=-0.3508,0.6222;0,0,i0
C=1.1146,0.9426;0,0,i2
C=2.1247,-0.1663;0,0,i2
O=3.5901,0.1540;0,0,i0
C=4.6002,-0.9549;0,0,i3
N=-1.4713,1.6194;0,0,i0
C=-2.7660,0.8619;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
4-9=1,0
9-10=2,0
10-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0963]]></Cell>
<Cell id="4"><![CDATA[NCL-00024673]]></Cell>
<Cell id="5"><![CDATA[BrC1=CN(CCOC)N=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="862">
<Cell id="1"><![CDATA[SketchEl!(11,11)
O=-0.0748,-2.6537;0,0,i0
C=0.4323,-1.2420;0,0,i0
N=-0.5368,-0.0970;0,0,i0
C=-2.0129,-0.3637;0,0,i2
C=-2.9819,0.7813;0,0,i2
O=-4.4580,0.5146;0,0,i1
C=-0.0297,1.3147;0,0,i1
C=1.4464,1.5814;0,0,i1
C=2.4154,0.4364;0,0,i0
Br=3.8915,0.7032;0,0,i0
C=1.9084,-0.9752;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
3-7=1,0
7-8=2,0
8-9=1,0
9-10=1,0
9-11=2,0
11-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0964]]></Cell>
<Cell id="4"><![CDATA[NCL-00024672]]></Cell>
<Cell id="5"><![CDATA[O=C1N(CCO)C=CC(Br)=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.66]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="863">
<Cell id="1"><![CDATA[SketchEl!(12,12)
O=0.4338,-2.8061;0,0,i0
C=0.7871,-1.3483;0,0,i0
N=-0.2987,-0.3135;0,0,i0
C=-1.7379,-0.7364;0,0,i2
C=-2.8237,0.2985;0,0,i0
O=-4.2629,-0.1245;0,0,i1
O=-2.4704,1.7563;0,0,i0
C=0.0546,1.1443;0,0,i1
C=1.4937,1.5673;0,0,i1
C=2.5795,0.5324;0,0,i0
Br=4.0187,0.9554;0,0,i0
C=2.2262,-0.9254;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
5-7=2,0
3-8=1,0
8-9=2,0
9-10=1,0
10-11=1,0
10-12=2,0
12-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0965]]></Cell>
<Cell id="4"><![CDATA[NCL-00024773]]></Cell>
<Cell id="5"><![CDATA[O=C1N(CC(O)=O)C=CC(Br)=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="864">
<Cell id="1"><![CDATA[SketchEl!(12,11)
C=-5.4456,-0.1815;0,0,i3
C=-4.0897,0.4600;0,0,i0
O=-3.9674,1.9550;0,0,i0
N=-2.8562,-0.3934;0,0,i1
C=-1.5003,0.2482;0,0,i2
C=-0.2668,-0.6053;0,0,i0
O=-0.3891,-2.1003;0,0,i0
N=1.0891,0.0363;0,0,i1
C=2.3227,-0.8171;0,0,i2
C=3.6785,-0.1756;0,0,i0
C=5.0344,0.4660;0,0,i0
Br=6.3903,1.1076;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=2,0
6-8=1,0
8-9=1,0
9-10=1,0
10-11=3,0
11-12=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0966]]></Cell>
<Cell id="4"><![CDATA[NCL-00025345]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NCC(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - unknown]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="865">
<Cell id="1"><![CDATA[SketchEl!(19,19)
C=-0.8132,3.1598;0,0,i3
C=-0.8166,1.6598;0,0,i0
O=-2.1174,0.9127;0,0,i0
N=0.4807,0.9068;0,0,i1
C=0.4772,-0.5932;0,0,i1
C=1.7746,-1.3462;0,0,i2
C=3.0753,-0.5991;0,0,i0
C=3.0787,0.9008;0,0,i1
C=4.3795,1.6479;0,0,i1
C=5.6768,0.8949;0,0,i1
C=5.6734,-0.6051;0,0,i1
C=4.3726,-1.3521;0,0,i1
C=-0.8235,-1.3402;0,0,i0
O=-0.8270,-2.8402;0,0,i0
N=-2.1208,-0.5873;0,0,i1
C=-3.4216,-1.3343;0,0,i2
C=-4.7189,-0.5813;0,0,i0
C=-6.0162,0.1717;0,0,i0
Br=-7.3135,0.9246;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,1
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
5-13=1,0
13-14=2,0
13-15=1,0
15-16=1,0
16-17=1,0
17-18=3,0
18-19=1,0
12-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0968]]></Cell>
<Cell id="4"><![CDATA[NCL-00024907]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.94]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="866">
<Cell id="1"><![CDATA[SketchEl!(17,16)
C=-5.6099,-0.1162;0,0,i3
C=-4.1284,0.1188;0,0,i0
O=-3.5912,1.5193;0,0,i0
N=-3.1842,-1.0467;0,0,i1
C=-1.7027,-0.8117;0,0,i1
C=-0.7584,-1.9772;0,0,i2
C=0.7231,-1.7422;0,0,i2
C=1.6673,-2.9077;0,0,i2
C=3.1488,-2.6727;0,0,i2
N=4.0930,-3.8381;0,0,i2
C=-1.1655,0.5888;0,0,i0
O=-2.1097,1.7543;0,0,i0
N=0.3160,0.8238;0,0,i1
C=0.8532,2.2243;0,0,i2
C=2.3347,2.4593;0,0,i0
C=3.8162,2.6943;0,0,i0
Br=5.2977,2.9293;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,2
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
5-11=1,0
11-12=2,0
11-13=1,0
13-14=1,0
14-15=1,0
15-16=3,0
16-17=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0969]]></Cell>
<Cell id="4"><![CDATA[NCL-00024978]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N[C@@H](CCCCN)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.57]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-4.9581,0.8807;0,0,i3
C=-3.4812,0.6184;0,0,i0
O=-2.5156,1.7662;0,0,i0
N=-2.9700,-0.7918;0,0,i1
C=-1.4931,-1.0541;0,0,i1
C=-0.9819,-2.4643;0,0,i2
O=0.4950,-2.7267;0,0,i1
C=-0.5275,0.0937;0,0,i0
O=-1.0387,1.5039;0,0,i0
N=0.9494,-0.1687;0,0,i1
C=1.9151,0.9792;0,0,i2
C=3.3919,0.7168;0,0,i0
C=4.8688,0.4545;0,0,i0
Br=6.3457,0.1921;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,2
6-7=1,0
5-8=1,0
8-9=2,0
8-10=1,0
10-11=1,0
11-12=1,0
12-13=3,0
13-14=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0970]]></Cell>
<Cell id="4"><![CDATA[NCL-00025057]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N[C@@H](CO)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.51]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="868">
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C=-5.3848,0.7467;0,0,i3
C=-3.8848,0.7516;0,0,i0
O=-3.1390,2.0530;0,0,i0
N=-3.1306,-0.5450;0,0,i1
C=-1.6306,-0.5402;0,0,i1
C=-0.8764,-1.8368;0,0,i2
C=0.6236,-1.8319;0,0,i2
C=1.3778,-3.1285;0,0,i0
O=0.6320,-4.4300;0,0,i0
O=2.8778,-3.1237;0,0,i1
C=-0.8848,0.7613;0,0,i0
O=-1.6390,2.0579;0,0,i0
N=0.6152,0.7661;0,0,i1
C=1.3610,2.0676;0,0,i2
C=2.8610,2.0724;0,0,i0
C=4.3610,2.0773;0,0,i0
Br=5.8609,2.0821;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,2
6-7=1,0
7-8=1,0
8-9=2,0
8-10=1,0
5-11=1,0
11-12=2,0
11-13=1,0
13-14=1,0
14-15=1,0
15-16=3,0
16-17=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0971]]></Cell>
<Cell id="4"><![CDATA[NCL-00025059]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N[C@@H](CCC(=O)O)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.09]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="869">
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C=-3.9026,-0.8942;0,0,i3
C=-2.5368,-0.2740;0,0,i1
N=-2.3910,1.2189;0,0,i1
C=-1.0252,1.8391;0,0,i0
O=0.1948,0.9664;0,0,i0
C=-0.8794,3.3320;0,0,i3
C=-1.3168,-1.1467;0,0,i0
O=-1.4626,-2.6396;0,0,i0
N=0.0490,-0.5265;0,0,i1
C=1.2690,-1.3992;0,0,i2
C=2.6348,-0.7790;0,0,i0
C=4.0005,-0.1588;0,0,i0
Br=5.3663,0.4614;0,0,i0
2-1=1,2
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
2-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
10-11=1,0
11-12=3,0
12-13=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0972]]></Cell>
<Cell id="4"><![CDATA[NCL-00025067]]></Cell>
<Cell id="5"><![CDATA[C[C@H](NC(=O)C)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.52]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="870">
<Cell id="1"><![CDATA[SketchEl!(24,24)
C=-9.4658,-0.7126;0,0,i3
C=-8.1307,-0.0289;0,0,i0
O=-8.0553,1.4693;0,0,i0
N=-6.8710,-0.8432;0,0,i1
C=-5.5359,-0.1594;0,0,i2
C=-4.2762,-0.9738;0,0,i2
C=-2.9411,-0.2900;0,0,i2
C=-1.6814,-1.1044;0,0,i2
C=-0.3463,-0.4206;0,0,i1
N=-0.2709,1.0775;0,0,i1
C=-1.5306,1.8918;0,0,i0
O=-2.8657,1.2081;0,0,i0
C=-1.4552,3.3899;0,0,i3
C=0.9134,-1.2350;0,0,i0
O=0.8380,-2.7331;0,0,i0
N=2.2485,-0.5512;0,0,i1
C=3.5082,-1.3656;0,0,i2
C=4.8432,-0.6818;0,0,i0
C=4.9186,0.8163;0,0,i1
C=6.2537,1.5001;0,0,i1
C=7.5134,0.6857;0,0,i0
C=7.4380,-0.8124;0,0,i1
C=6.1029,-1.4962;0,0,i1
Br=8.8485,1.3695;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
9-8=1,2
9-10=1,0
10-11=1,0
11-12=2,0
11-13=1,0
9-14=1,0
14-15=2,0
14-16=1,0
16-17=1,0
17-18=1,0
18-19=2,0
19-20=1,0
20-21=2,0
21-22=1,0
22-23=2,0
21-24=1,0
23-18=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0973]]></Cell>
<Cell id="4"><![CDATA[NCL-00025267]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NCCCC[C@H](NC(=O)C)C(=O)NCc1ccc(cc1)Br]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.1]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="871">
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C=-4.4792,0.5537;0,0,i3
C=-3.3447,-0.4276;0,0,i1
C=-3.6273,-1.9007;0,0,i3
C=-1.9277,0.0643;0,0,i1
N=-1.6451,1.5374;0,0,i1
C=-0.2280,2.0293;0,0,i0
O=0.9065,1.0480;0,0,i0
C=0.0545,3.5024;0,0,i3
C=-0.7932,-0.9170;0,0,i0
O=-1.0757,-2.3901;0,0,i0
N=0.6239,-0.4251;0,0,i1
C=1.7584,-1.4064;0,0,i2
C=3.1755,-0.9146;0,0,i0
C=4.5925,-0.4227;0,0,i0
Br=6.0096,0.0692;0,0,i0
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=2,0
6-8=1,0
4-9=1,0
9-10=2,0
9-11=1,0
11-12=1,0
12-13=1,0
13-14=3,0
14-15=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0974]]></Cell>
<Cell id="4"><![CDATA[NCL-00024897]]></Cell>
<Cell id="5"><![CDATA[CC(C)C(NC(=O)C)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.25]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="872">
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C=4.0683,1.5934;0,0,i3
C=4.2372,0.1029;0,0,i2
C=3.0310,-0.7886;0,0,i1
C=3.1999,-2.2791;0,0,i3
C=1.6557,-0.1897;0,0,i1
N=1.4867,1.3007;0,0,i1
C=0.1115,1.8996;0,0,i0
O=-1.0948,1.0081;0,0,i0
C=-0.0575,3.3901;0,0,i3
C=0.4494,-1.0813;0,0,i0
O=0.6184,-2.5717;0,0,i0
N=-0.9258,-0.4824;0,0,i1
C=-2.1321,-1.3739;0,0,i2
C=-3.5074,-0.7750;0,0,i0
C=-4.8826,-0.1761;0,0,i0
Br=-6.2579,0.4228;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,1
3-5=1,0
5-6=1,1
6-7=1,0
7-8=2,0
7-9=1,0
5-10=1,0
10-11=2,0
10-12=1,0
12-13=1,0
13-14=1,0
14-15=3,0
15-16=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0975]]></Cell>
<Cell id="4"><![CDATA[NCL-00024976]]></Cell>
<Cell id="5"><![CDATA[CC[C@@H](C)[C@H](NC(=O)C)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.69]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="873">
<Cell id="1"><![CDATA[SketchEl!(15,15)
C=4.6294,-1.2409;0,0,i3
C=3.1390,-1.0715;0,0,i0
O=2.2472,-2.2776;0,0,i0
N=2.5405,0.3039;0,0,i0
C=3.3014,1.5966;0,0,i2
C=2.3071,2.7197;0,0,i2
C=0.9317,2.1211;0,0,i2
C=1.0759,0.6281;0,0,i1
C=-0.0472,-0.3662;0,0,i0
O=0.2523,-1.8360;0,0,i0
N=-1.4698,0.1093;0,0,i1
C=-2.5929,-0.8849;0,0,i2
C=-4.0156,-0.4094;0,0,i0
C=-5.4382,0.0661;0,0,i0
Br=-6.8608,0.5416;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,2
9-10=2,0
9-11=1,0
11-12=1,0
12-13=1,0
13-14=3,0
14-15=1,0
8-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0976]]></Cell>
<Cell id="4"><![CDATA[NCL-00024977]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1CCC[C@H]1C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.98]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="874">
<Cell id="1"><![CDATA[SketchEl!(17,16)
C=-5.3848,0.7467;0,0,i3
C=-3.8848,0.7516;0,0,i0
O=-3.1390,2.0530;0,0,i0
N=-3.1306,-0.5450;0,0,i1
C=-1.6306,-0.5402;0,0,i1
C=-0.8764,-1.8368;0,0,i2
C=0.6236,-1.8319;0,0,i2
C=1.3778,-3.1285;0,0,i0
O=0.6320,-4.4300;0,0,i0
N=2.8778,-3.1237;0,0,i2
C=-0.8848,0.7613;0,0,i0
O=-1.6390,2.0579;0,0,i0
N=0.6152,0.7661;0,0,i1
C=1.3610,2.0676;0,0,i2
C=2.8610,2.0724;0,0,i0
C=4.3610,2.0773;0,0,i0
Br=5.8609,2.0821;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,2
6-7=1,0
7-8=1,0
8-9=2,0
8-10=1,0
5-11=1,0
11-12=2,0
11-13=1,0
13-14=1,0
14-15=1,0
15-16=3,0
16-17=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0979]]></Cell>
<Cell id="4"><![CDATA[NCL-00025065]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N[C@@H](CCC(=O)N)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.01]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="875">
<Cell id="1"><![CDATA[SketchEl!(20,19)
C=-8.6247,-0.4731;0,0,i3
C=-7.2784,0.1882;0,0,i0
O=-7.1778,1.6848;0,0,i0
N=-6.0325,-0.6472;0,0,i1
C=-4.6861,0.0141;0,0,i2
C=-3.4403,-0.8213;0,0,i2
C=-2.0939,-0.1600;0,0,i2
C=-0.8480,-0.9954;0,0,i2
C=0.4983,-0.3341;0,0,i1
N=0.5989,1.1625;0,0,i1
C=1.9452,1.8237;0,0,i0
O=3.1911,0.9884;0,0,i0
C=2.0458,3.3204;0,0,i3
C=1.7442,-1.1695;0,0,i0
O=1.6437,-2.6661;0,0,i0
N=3.0906,-0.5083;0,0,i1
C=4.3364,-1.3436;0,0,i2
C=5.6828,-0.6824;0,0,i0
C=7.0292,-0.0211;0,0,i0
Br=8.3756,0.6401;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
9-8=1,2
9-10=1,0
10-11=1,0
11-12=2,0
11-13=1,0
9-14=1,0
14-15=2,0
14-16=1,0
16-17=1,0
17-18=1,0
18-19=3,0
19-20=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0980]]></Cell>
<Cell id="4"><![CDATA[NCL-00025066]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NCCCC[C@H](NC(=O)C)C(=O)NCC#CBr]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.74]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="876">
<Cell id="1"><![CDATA[SketchEl!(16,15)
C=-5.1741,0.9470;0,0,i3
C=-3.6847,0.7685;0,0,i0
N=-3.0946,-0.6105;0,0,i1
C=-1.6052,-0.7889;0,0,i1
C=-1.0151,-2.1680;0,0,i2
C=0.4743,-2.3464;0,0,i0
O=1.0644,-3.7254;0,0,i1
O=1.3735,-1.1458;0,0,i0
C=-0.7060,0.4117;0,0,i0
N=0.7833,0.2332;0,0,i1
C=1.6825,1.4338;0,0,i2
C=3.1719,1.2554;0,0,i0
C=4.6612,1.0770;0,0,i0
Br=6.1506,0.8986;0,0,i0
O=-1.2962,1.7907;0,0,i0
O=-2.7855,1.9691;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
6-8=2,0
4-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=3,0
13-14=1,0
9-15=2,0
2-16=2,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0982]]></Cell>
<Cell id="4"><![CDATA[NCL-00025413]]></Cell>
<Cell id="5"><![CDATA[CC(NC(CC(O)=O)C(NCC#CBr)=O)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.26]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="877">
<Cell id="1"><![CDATA[SketchEl!(22,23)
C=-2.1754,3.2959;0,0,i3
C=-1.9855,1.8080;0,0,i0
N=-0.6019,1.2285;0,0,i1
C=-0.4120,-0.2594;0,0,i1
C=0.9716,-0.8389;0,0,i2
C=2.1652,0.0696;0,0,i0
C=2.1318,1.5692;0,0,i1
N=3.5477,2.0644;0,0,i1
C=4.4562,0.8708;0,0,i0
C=3.6018,-0.3621;0,0,i0
C=4.2422,-1.7185;0,0,i1
C=5.7371,-1.8420;0,0,i1
C=6.5916,-0.6092;0,0,i1
C=5.9511,0.7472;0,0,i1
C=-1.6056,-1.1679;0,0,i0
N=-2.9891,-0.5884;0,0,i1
C=-4.1827,-1.4969;0,0,i2
C=-5.5663,-0.9174;0,0,i0
C=-6.9498,-0.3380;0,0,i0
Br=-8.3334,0.2415;0,0,i0
O=-1.4156,-2.6558;0,0,i0
O=-3.1791,0.8995;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,1
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
4-15=1,0
15-16=1,0
16-17=1,0
17-18=1,0
18-19=3,0
19-20=1,0
15-21=2,0
2-22=2,0
10-6=1,0
14-9=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0983]]></Cell>
<Cell id="4"><![CDATA[NCL-00024982]]></Cell>
<Cell id="5"><![CDATA[CC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(NCC#CBr)=O)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.79]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="878">
<Cell id="1"><![CDATA[SketchEl!(25,24)
C=-0.5707,3.1897;0,0,i3
C=-0.5485,1.6899;0,0,i0
N=0.7615,0.9592;0,0,i1
C=0.7837,-0.5407;0,0,i1
C=2.0937,-1.2714;0,0,i2
C=3.3815,-0.5023;0,0,i0
C=4.7606,-1.0920;0,0,i1
N=5.7477,0.0374;1,0,i2
C=4.9786,1.3252;0,0,i1
N=3.5162,0.9917;0,0,i0
C=-0.5041,-1.3098;0,0,i0
N=-1.8141,-0.5791;0,0,i1
C=-3.1019,-1.3483;0,0,i2
C=-4.4119,-0.6176;0,0,i0
C=-5.7219,0.1132;0,0,i0
Br=-7.0319,0.8439;0,0,i0
O=-0.4819,-2.8097;0,0,i0
O=-1.8363,0.9207;0,0,i0
O=-1.6071,4.3906;0,0,i0
C=-0.8571,5.6897;0,0,i0
O=-1.6071,6.9887;-1,0,i0
C=0.6429,5.6897;0,0,i0
F=2.1429,5.6897;0,0,i0
F=0.6429,4.1897;0,0,i0
F=0.6429,7.1897;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,1
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=2,0
4-11=1,0
11-12=1,0
12-13=1,0
13-14=1,0
14-15=3,0
15-16=1,0
11-17=2,0
2-18=2,0
19-20=2,0
20-21=1,0
20-22=1,0
22-23=1,0
22-24=1,0
22-25=1,0
10-6=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0984]]></Cell>
<Cell id="4"><![CDATA[NCL-00025550]]></Cell>
<Cell id="5"><![CDATA[CC(N[C@@H](CC1=C[NH2+]C=N1)C(NCC#CBr)=O)=O.O=C([O-])C(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.92]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="879">
<Cell id="1"><![CDATA[SketchEl!(16,15)
C=-5.1741,0.9470;0,0,i3
C=-3.6847,0.7685;0,0,i0
N=-3.0946,-0.6105;0,0,i1
C=-1.6052,-0.7889;0,0,i1
C=-1.0151,-2.1680;0,0,i2
C=0.4743,-2.3464;0,0,i1
C=1.0644,-3.7254;0,0,i3
C=1.3735,-1.1458;0,0,i3
C=-0.7060,0.4117;0,0,i0
N=0.7833,0.2332;0,0,i1
C=1.6825,1.4338;0,0,i2
C=3.1719,1.2554;0,0,i0
C=4.6612,1.0770;0,0,i0
Br=6.1506,0.8986;0,0,i0
O=-1.2962,1.7907;0,0,i0
O=-2.7855,1.9691;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,2
5-6=1,0
6-7=1,0
6-8=1,0
4-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=3,0
13-14=1,0
9-15=2,0
2-16=2,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0985]]></Cell>
<Cell id="4"><![CDATA[NCL-00024906]]></Cell>
<Cell id="5"><![CDATA[CC(N[C@@H](CC(C)C)C(NCC#CBr)=O)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.37]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="880">
<Cell id="1"><![CDATA[SketchEl!(24,22)
C=-5.6099,-0.1162;0,0,i3
C=-4.1284,0.1188;0,0,i0
N=-3.1842,-1.0467;0,0,i1
C=-1.7027,-0.8117;0,0,i1
C=-0.7584,-1.9772;0,0,i2
C=0.7231,-1.7422;0,0,i2
C=1.6673,-2.9077;0,0,i2
C=3.1488,-2.6727;0,0,i2
N=4.0930,-3.8381;1,0,i3
C=-1.1655,0.5888;0,0,i0
N=0.3160,0.8238;0,0,i1
C=0.8532,2.2243;0,0,i2
C=2.3347,2.4593;0,0,i0
C=3.8162,2.6943;0,0,i0
Br=5.2977,2.9293;0,0,i0
O=-2.1097,1.7543;0,0,i0
O=-3.5912,1.5193;0,0,i0
O=-1.6071,4.1303;0,0,i0
C=-0.8571,5.4293;0,0,i0
O=-1.6071,6.7284;-1,0,i0
C=0.6429,5.4293;0,0,i0
F=2.1429,5.4293;0,0,i0
F=0.6429,3.9293;0,0,i0
F=0.6429,6.9293;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,2
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
4-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=3,0
14-15=1,0
10-16=2,0
2-17=2,0
18-19=2,0
19-20=1,0
19-21=1,0
21-22=1,0
21-23=1,0
21-24=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0986]]></Cell>
<Cell id="4"><![CDATA[NCL-00024978-002]]></Cell>
<Cell id="5"><![CDATA[CC(N[C@@H](CCCC[NH3+])C(NCC#CBr)=O)=O.O=C([O-])C(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.19]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="881">
<Cell id="1"><![CDATA[SketchEl!(26,24)
C=-5.8821,-1.6177;0,0,i3
C=-4.5536,-0.9210;0,0,i0
N=-3.2861,-1.7232;0,0,i1
C=-1.9577,-1.0266;0,0,i1
C=-0.6902,-1.8287;0,0,i2
C=0.6382,-1.1321;0,0,i2
C=1.9057,-1.9343;0,0,i2
N=3.2342,-1.2377;0,0,i1
C=4.5017,-2.0398;0,0,i0
N=5.8301,-1.3432;0,0,i2
N=4.4407,-3.5386;0,0,i1
C=-1.8968,0.4722;0,0,i0
N=-0.5683,1.1688;0,0,i1
C=-0.5074,2.6675;0,0,i2
C=0.8210,3.3642;0,0,i0
C=2.1495,4.0608;0,0,i0
Br=3.4779,4.7574;0,0,i0
O=-3.1643,1.2743;0,0,i0
O=-4.4927,0.5777;0,0,i0
O=-1.6071,5.9583;0,0,i0
C=-0.8571,7.2574;0,0,i0
O=-1.6071,8.5564;-1,0,i0
C=0.6429,7.2574;0,0,i0
F=2.1429,7.2574;0,0,i0
F=0.6429,5.7574;0,0,i0
F=0.6429,8.7574;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,2
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
9-11=2,0
4-12=1,0
12-13=1,0
13-14=1,0
14-15=1,0
15-16=3,0
16-17=1,0
12-18=2,0
2-19=2,0
20-21=2,0
21-22=1,0
21-23=1,0
23-24=1,0
23-25=1,0
23-26=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0987]]></Cell>
<Cell id="4"><![CDATA[NCL-00025551]]></Cell>
<Cell id="5"><![CDATA[CC(N[C@@H](CCCNC(N)=N)C(NCC#CBr)=O)=O.O=C([O-])C(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="882">
<Cell id="1"><![CDATA[SketchEl!(7,7)
N=-2.6401,-0.6127;0,0,i2
C=-1.2135,-0.1492;0,0,i0
C=-0.0000,-1.0309;0,0,i1
C=1.2135,-0.1492;0,0,i0
O=2.6401,-0.6127;0,0,i0
N=0.7500,1.2774;0,0,i1
N=-0.7500,1.2774;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
4-6=1,0
6-7=1,0
7-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0988]]></Cell>
<Cell id="4"><![CDATA[Z1245635875]]></Cell>
<Cell id="5"><![CDATA[NC1=CC(=O)NN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[2.86]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="883">
<Cell id="1"><![CDATA[SketchEl!(7,7)
Br=2.5714,0.0000;0,0,i0
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
C=-1.1786,-1.2990;0,0,i1
C=-1.9286,0.0000;0,0,i1
N=-1.1786,1.2990;0,0,i0
C=0.3214,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
2-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0989]]></Cell>
<Cell id="4"><![CDATA[Z1250132521]]></Cell>
<Cell id="5"><![CDATA[BrC=1C=CC=NC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.71]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="884">
<Cell id="1"><![CDATA[SketchEl!(5,5)
C=1.2760,-0.0000;0,0,i1
C=0.3943,1.2135;0,0,i1
N=-1.0323,0.7500;0,0,i1
N=-1.0323,-0.7500;0,0,i0
N=0.3943,-1.2135;0,0,i0
1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-1=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0990]]></Cell>
<Cell id="4"><![CDATA[Z1198386795]]></Cell>
<Cell id="5"><![CDATA[C1=CNN=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.57]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="885">
<Cell id="1"><![CDATA[SketchEl!(5,5)
C=1.2760,-0.0000;0,0,i1
C=0.3943,1.2135;0,0,i1
N=-1.0323,0.7500;0,0,i0
N=-1.0323,-0.7500;0,0,i1
C=0.3943,-1.2135;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=1,0
1-5=2,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0992]]></Cell>
<Cell id="4"><![CDATA[Z1741966780]]></Cell>
<Cell id="5"><![CDATA[C=1C=NNC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="886">
<Cell id="1"><![CDATA[SketchEl!(8,7)
Cl=0.0000,2.2990;0,0,e1
O=2.5714,0.0000;0,0,i0
C=1.0714,-0.0000;0,0,i0
N=0.3214,-1.2990;0,0,i0
C=-1.1786,-1.2990;0,0,i1
C=-1.9286,0.0000;0,0,i1
C=-1.1786,1.2990;0,0,i1
N=0.3214,1.2990;0,0,i1
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0993]]></Cell>
<Cell id="4"><![CDATA[Z1201023052]]></Cell>
<Cell id="5"><![CDATA[Cl.O=C1N=CC=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.17]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="887">
<Cell id="1"><![CDATA[SketchEl!(5,5)
C=1.2760,-0.0000;0,0,i2
C=0.3943,1.2135;0,0,i2
C=-1.0323,0.7500;0,0,i2
N=-1.0323,-0.7500;0,0,i1
C=0.3943,-1.2135;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-1=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0994]]></Cell>
<Cell id="4"><![CDATA[Z57834050]]></Cell>
<Cell id="5"><![CDATA[C1CCNC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.35]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="888">
<Cell id="1"><![CDATA[SketchEl!(6,6)
C=1.5000,0.0000;0,0,i2
C=0.7500,-1.2990;0,0,i2
N=-0.7500,-1.2990;0,0,i1
C=-1.5000,0.0000;0,0,i2
C=-0.7500,1.2990;0,0,i2
N=0.7500,1.2990;0,0,i1
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-1=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0996]]></Cell>
<Cell id="4"><![CDATA[Z1245537944]]></Cell>
<Cell id="5"><![CDATA[C1CNCCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.96]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="889">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=1.9989,-1.2990;0,0,i1
C=1.2489,0.0000;0,0,i0
O=1.9989,1.2990;0,0,i0
C=-0.2511,0.0000;0,0,i1
C=-1.3117,-1.0607;0,0,i2
C=-2.3724,0.0000;0,0,i2
N=-1.3117,1.0607;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0997]]></Cell>
<Cell id="4"><![CDATA[Z1318268680]]></Cell>
<Cell id="5"><![CDATA[OC(=O)C1CCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.53]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="890">
<Cell id="1"><![CDATA[SketchEl!(6,6)
O=1.4142,1.0607;0,0,i0
S=0.3536,-0.0000;0,0,i0
O=1.4142,-1.0607;0,0,i0
C=-0.7071,-1.0607;0,0,i2
C=-1.7678,0.0000;0,0,i2
N=-0.7071,1.0607;0,0,i1
1-2=2,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0998]]></Cell>
<Cell id="4"><![CDATA[Z425449766]]></Cell>
<Cell id="5"><![CDATA[O=S1(=O)CCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.73]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="891">
<Cell id="1"><![CDATA[SketchEl!(6,6)
O=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
C=-0.0684,1.2135;0,0,i2
C=-1.4949,0.7500;0,0,i2
C=-1.4949,-0.7500;0,0,i2
N=-0.0684,-1.2135;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x0999]]></Cell>
<Cell id="4"><![CDATA[Z940713508]]></Cell>
<Cell id="5"><![CDATA[O=C1CCCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="892">
<Cell id="1"><![CDATA[SketchEl!(5,4)
N=-2.0785,0.0000;0,0,i2
C=-0.7794,-0.7500;0,0,i2
C=0.5196,-0.0000;0,0,i0
O=0.5196,1.5000;0,0,i0
O=1.8187,-0.7500;0,0,i1
1-2=1,0
2-3=1,0
3-4=2,0
3-5=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1000]]></Cell>
<Cell id="4"><![CDATA[Z955123660]]></Cell>
<Cell id="5"><![CDATA[NCC(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.78]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="893">
<Cell id="1"><![CDATA[SketchEl!(8,8)
O=2.2975,-1.2990;0,0,i1
C=1.5475,-0.0000;0,0,i0
O=2.2975,1.2990;0,0,i0
C=0.0475,-0.0000;0,0,i0
C=-0.8342,1.2135;0,0,i1
C=-2.2608,0.7500;0,0,i1
S=-2.2608,-0.7500;0,0,i0
C=-0.8342,-1.2135;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=1,0
4-8=2,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1001]]></Cell>
<Cell id="4"><![CDATA[Z166605460]]></Cell>
<Cell id="5"><![CDATA[OC(=O)C=1C=CSC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="894">
<Cell id="1"><![CDATA[SketchEl!(6,5)
C=-2.8748,-0.2197;0,0,i3
C=-1.4825,0.3386;0,0,i2
O=-0.3029,-0.5880;0,0,i0
C=1.0893,-0.0297;0,0,i0
O=1.3020,1.4551;0,0,i0
N=2.2689,-0.9563;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1003]]></Cell>
<Cell id="4"><![CDATA[Z33546369]]></Cell>
<Cell id="5"><![CDATA[CCOC(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.15]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="895">
<Cell id="1"><![CDATA[SketchEl!(5,5)
O=-2.2332,0.4144;0,0,i1
C=-1.1412,-0.6140;0,0,i2
C=0.2954,-0.1826;0,0,i1
C=1.7553,-0.5272;0,0,i2
C=1.3238,0.9094;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1004]]></Cell>
<Cell id="4"><![CDATA[Z1259087003]]></Cell>
<Cell id="5"><![CDATA[OCC1CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.4]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="896">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=2.5714,0.0000;0,0,i1
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
C=-1.1786,-1.2990;0,0,i1
C=-1.9286,0.0000;0,0,i1
C=-1.1786,1.2990;0,0,i1
C=0.3214,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
2-7=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1005]]></Cell>
<Cell id="4"><![CDATA[Z966690946]]></Cell>
<Cell id="5"><![CDATA[OC=1C=CC=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.74]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="897">
<Cell id="1"><![CDATA[SketchEl!(7,7)
N=1.9989,-1.2990;0,0,i2
C=1.2489,0.0000;0,0,i0
O=1.9989,1.2990;0,0,i0
C=-0.2511,0.0000;0,0,i1
C=-1.3117,-1.0607;0,0,i2
C=-2.3724,0.0000;0,0,i2
C=-1.3117,1.0607;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-4=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1006]]></Cell>
<Cell id="4"><![CDATA[Z33546656]]></Cell>
<Cell id="5"><![CDATA[NC(=O)C1CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.24]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="898">
<Cell id="1"><![CDATA[SketchEl!(17,16)
N=2.3133,-0.0000;0,0,i2
C=0.8133,-0.0000;0,0,i0
N=-0.0684,1.2135;0,0,i0
C=-1.4949,0.7500;0,0,i1
C=-1.4949,-0.7500;0,0,i1
N=-0.0684,-1.2135;0,0,i1
N=2.3133,3.4271;0,0,i2
C=0.8133,3.4271;0,0,i0
N=-0.0684,4.6406;0,0,i0
C=-1.4949,4.1771;0,0,i1
C=-1.4949,2.6771;0,0,i1
N=-0.0684,2.2135;0,0,i1
O=3.3133,-0.7500;0,0,i1
S=4.6124,-0.0000;0,0,i0
O=5.3624,-1.2990;0,0,i0
O=3.8624,1.2990;0,0,i0
O=5.9114,0.7500;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
7-8=1,0
8-9=2,0
9-10=1,0
10-11=2,0
11-12=1,0
13-14=1,0
14-15=2,0
14-16=2,0
14-17=1,0
6-2=1,0
12-8=1,0
!End
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1007]]></Cell>
<Cell id="4"><![CDATA[Z1741961236]]></Cell>
<Cell id="5"><![CDATA[NC1=NC=CN1.NC1=NC=CN1.OS(=O)(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop broken]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="899">
<Cell id="1"><![CDATA[SketchEl!(7,6)
Cl=0.0000,2.2135;0,0,e1
O=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
C=-0.0684,1.2135;0,0,i2
C=-1.4949,0.7500;0,0,i2
N=-1.4949,-0.7500;0,0,i1
N=-0.0684,-1.2135;0,0,i1
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1008]]></Cell>
<Cell id="4"><![CDATA[Z2935001239]]></Cell>
<Cell id="5"><![CDATA[Cl.O=C1CCNN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="900">
<Cell id="1"><![CDATA[SketchEl!(6,5)
N=-2.4816,-0.5285;0,0,i2
C=-1.0893,0.0297;0,0,i0
O=-0.8767,1.5146;0,0,i0
C=0.0903,-0.8969;0,0,i2
C=1.4825,-0.3386;0,0,i0
N=2.8748,0.2197;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=3,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1009]]></Cell>
<Cell id="4"><![CDATA[Z56896153]]></Cell>
<Cell id="5"><![CDATA[NC(=O)CC#N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Melted]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.89]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="901">
<Cell id="1"><![CDATA[SketchEl!(7,6)
C=-2.5981,-0.8571;0,0,i3
C=-1.2990,-0.1071;0,0,i0
O=-1.2990,1.3929;0,0,i0
N=0.0000,-0.8571;0,0,i1
C=1.2990,-0.1071;0,0,i0
O=1.2990,1.3929;0,0,i0
N=2.5981,-0.8571;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=2,0
5-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1010]]></Cell>
<Cell id="4"><![CDATA[Z1262398400]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[2.96]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="902">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=1.9989,-1.2990;0,0,i1
C=1.2489,0.0000;0,0,i0
O=1.9989,1.2990;0,0,i0
C=-0.2511,0.0000;0,0,i1
C=-1.3117,-1.0607;0,0,i2
C=-2.3724,0.0000;0,0,i2
C=-1.3117,1.0607;0,0,i2
1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1011]]></Cell>
<Cell id="4"><![CDATA[Z1270212509]]></Cell>
<Cell id="5"><![CDATA[OC(=O)C1CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.7]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="903">
<Cell id="1"><![CDATA[SketchEl!(6,6)
O=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
C=-0.0684,1.2135;0,0,i2
C=-1.4949,0.7500;0,0,i2
O=-1.4949,-0.7500;0,0,i0
N=-0.0684,-1.2135;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1013]]></Cell>
<Cell id="4"><![CDATA[Z3235036808]]></Cell>
<Cell id="5"><![CDATA[O=C1CCON1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.75]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="904">
<Cell id="1"><![CDATA[SketchEl!(6,6)
N=2.3133,-0.0000;0,0,i2
C=0.8133,-0.0000;0,0,i1
C=-0.0684,1.2135;0,0,i2
C=-1.4949,0.7500;0,0,i2
C=-1.4949,-0.7500;0,0,i2
C=-0.0684,-1.2135;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1014]]></Cell>
<Cell id="4"><![CDATA[Z1741971800]]></Cell>
<Cell id="5"><![CDATA[NC1CCCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="905">
<Cell id="1"><![CDATA[SketchEl!(7,7)
N=2.5714,0.0000;0,0,i2
C=1.0714,-0.0000;0,0,i0
N=0.3214,-1.2990;0,0,i0
C=-1.1786,-1.2990;0,0,i1
C=-1.9286,0.0000;0,0,i1
C=-1.1786,1.2990;0,0,i1
N=0.3214,1.2990;0,0,i0
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
2-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1015]]></Cell>
<Cell id="4"><![CDATA[Z1741968196]]></Cell>
<Cell id="5"><![CDATA[NC=1N=CC=CN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[4.4]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="906">
<Cell id="1"><![CDATA[SketchEl!(7,7)
N=3.2686,-0.0000;0,0,i0
C=1.7686,-0.0000;0,0,i0
C=0.2686,-0.0000;0,0,i0
C=-0.6131,1.2135;0,0,i1
C=-2.0397,0.7500;0,0,i1
O=-2.0397,-0.7500;0,0,i0
N=-0.6131,-1.2135;0,0,i0
1-2=3,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
3-7=2,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1016]]></Cell>
<Cell id="4"><![CDATA[Z1436620465]]></Cell>
<Cell id="5"><![CDATA[N#CC=1C=CON1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[4.26]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="907">
<Cell id="1"><![CDATA[SketchEl!(7,6)
C=-1.5086,1.6381;0,0,i3
C=-1.1803,0.1745;0,0,i1
C=-2.2837,-0.8417;0,0,i3
C=0.2514,-0.2730;0,0,i0
N=1.3548,0.7431;0,0,i0
O=2.7865,0.2956;0,0,i1
N=0.5797,-1.7367;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
4-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1017]]></Cell>
<Cell id="4"><![CDATA[Z1741972444]]></Cell>
<Cell id="5"><![CDATA[CC(C)C(=NO)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.82]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="908">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=2.5714,0.0000;0,0,i0
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
C=-1.1786,-1.2990;0,0,i1
C=-1.9286,0.0000;0,0,i1
N=-1.1786,1.2990;0,0,i0
N=0.3214,1.2990;0,0,i1
1-2=2,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1018]]></Cell>
<Cell id="4"><![CDATA[Z3219959731]]></Cell>
<Cell id="5"><![CDATA[O=C1C=CC=NN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.47]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="909">
<Cell id="1"><![CDATA[SketchEl!(7,7)
N=2.5714,0.0000;0,0,i2
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
C=-1.1786,-1.2990;0,0,i1
C=-1.9286,0.0000;0,0,i1
N=-1.1786,1.2990;0,0,i0
N=0.3214,1.2990;0,0,i0
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
2-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1019]]></Cell>
<Cell id="4"><![CDATA[Z1480642703]]></Cell>
<Cell id="5"><![CDATA[NC=1C=CC=NN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.85]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="910">
<Cell id="1"><![CDATA[SketchEl!(8,6)
Cl=0.0000,2.3929;0,0,e1
C=-2.5981,-0.8571;0,0,i3
C=-1.2990,-0.1071;0,0,i1
N=-1.2990,1.3929;0,0,i2
C=0.0000,-0.8571;0,0,i2
C=1.2990,-0.1071;0,0,i0
O=1.2990,1.3929;0,0,i0
N=2.5981,-0.8571;0,0,i2
2-3=1,0
3-4=1,0
3-5=1,0
5-6=1,0
6-7=2,0
6-8=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1020]]></Cell>
<Cell id="4"><![CDATA[Z1459435569]]></Cell>
<Cell id="5"><![CDATA[Cl.CC(N)CC(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.05]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="911">
<Cell id="1"><![CDATA[SketchEl!(9,7)
Cl=0.0000,2.2774;0,0,e1
Cl=0.0000,3.2774;0,0,e1
C=2.6401,-0.6127;0,0,i3
N=1.2135,-0.1492;0,0,i0
C=0.7500,1.2774;0,0,i1
N=-0.7500,1.2774;0,0,i0
C=-1.2135,-0.1492;0,0,i0
N=-2.6401,-0.6127;0,0,i2
C=-0.0000,-1.0309;0,0,i1
3-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=1,0
7-9=2,0
9-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1021]]></Cell>
<Cell id="4"><![CDATA[Z2692604705]]></Cell>
<Cell id="5"><![CDATA[Cl.Cl.CN1C=NC(N)=C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.43]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="912">
<Cell id="1"><![CDATA[SketchEl!(8,7)
Cl=0.0000,2.2774;0,0,e1
N=2.6401,-0.6127;0,0,i2
C=1.2135,-0.1492;0,0,i0
C=0.7500,1.2774;0,0,i1
S=-0.7500,1.2774;0,0,i0
C=-1.2135,-0.1492;0,0,i0
N=-2.6401,-0.6127;0,0,i2
N=-0.0000,-1.0309;0,0,i0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=1,0
6-7=1,0
6-8=2,0
8-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1022]]></Cell>
<Cell id="4"><![CDATA[Z234893769]]></Cell>
<Cell id="5"><![CDATA[Cl.NC1=CSC(N)=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[2.99]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="913">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=-2.8157,0.4537;0,0,i1
C=-1.7770,-0.6285;0,0,i2
C=-0.3205,-0.2700;0,0,i0
C=0.8257,-1.2376;0,0,i1
C=2.1002,-0.4466;0,0,i1
N=1.7417,1.0099;0,0,i1
N=0.2456,1.1191;0,0,i0
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
3-7=2,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1023]]></Cell>
<Cell id="4"><![CDATA[Z3225843273]]></Cell>
<Cell id="5"><![CDATA[OCC=1C=CNN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.87]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="914">
<Cell id="1"><![CDATA[SketchEl!(8,7)
Cl=0.0000,2.2990;0,0,e1
N=2.5714,0.0000;0,0,i1
C=1.0714,-0.0000;0,0,i0
N=0.3214,-1.2990;0,0,i1
C=-1.1786,-1.2990;0,0,i2
C=-1.9286,0.0000;0,0,i2
C=-1.1786,1.2990;0,0,i2
N=0.3214,1.2990;0,0,i1
2-3=2,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1024]]></Cell>
<Cell id="4"><![CDATA[Z1954800348]]></Cell>
<Cell id="5"><![CDATA[Cl.N=C1NCCCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.33]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="915">
<Cell id="1"><![CDATA[SketchEl!(5,4)
O=-1.2990,-0.7500;0,0,i1
P=0.0000,-0.0000;0,0,i0
O=1.2990,0.7500;0,0,i0
O=-0.7500,1.2990;0,0,i1
O=0.7500,-1.2990;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
2-5=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1025]]></Cell>
<Cell id="4"><![CDATA[Z1954805639]]></Cell>
<Cell id="5"><![CDATA[OP(=O)(O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.87]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="916">
<Cell id="1"><![CDATA[SketchEl!(7,6)
C=-2.5981,0.8571;0,0,i3
C=-1.2990,0.1071;0,0,i1
C=-1.2990,-1.3929;0,0,i3
N=0.0000,0.8571;0,0,i1
C=1.2990,0.1071;0,0,i0
O=1.2990,-1.3929;0,0,i0
N=2.5981,0.8571;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=2,0
5-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1026]]></Cell>
<Cell id="4"><![CDATA[Z56887677]]></Cell>
<Cell id="5"><![CDATA[CC(C)NC(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="917">
<Cell id="1"><![CDATA[SketchEl!(7,6)
Cl=0.0000,2.2990;0,0,e1
C=1.5000,0.0000;0,0,i2
C=0.7500,-1.2990;0,0,i2
O=-0.7500,-1.2990;0,0,i0
C=-1.5000,0.0000;0,0,i2
C=-0.7500,1.2990;0,0,i2
N=0.7500,1.2990;0,0,i1
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1027]]></Cell>
<Cell id="4"><![CDATA[Z3234810942]]></Cell>
<Cell id="5"><![CDATA[Cl.C1COCCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="918">
<Cell id="1"><![CDATA[SketchEl!(5,4)
C=-2.0785,0.0000;0,0,i3
C=-0.7794,0.7500;0,0,i2
C=0.5196,-0.0000;0,0,i0
O=0.5196,-1.5000;0,0,i0
O=1.8187,0.7500;0,0,i1
1-2=1,0
2-3=1,0
3-4=2,0
3-5=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1029]]></Cell>
<Cell id="4"><![CDATA[Z955123616]]></Cell>
<Cell id="5"><![CDATA[CCC(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.73]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="919">
<Cell id="1"><![CDATA[SketchEl!(6,6)
C=2.3133,-0.0000;0,0,i3
C=0.8133,-0.0000;0,0,i0
N=-0.0684,1.2135;0,0,i0
N=-1.4949,0.7500;0,0,i0
N=-1.4949,-0.7500;0,0,i0
N=-0.0684,-1.2135;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1030]]></Cell>
<Cell id="4"><![CDATA[Z56761437]]></Cell>
<Cell id="5"><![CDATA[CC1=NN=NN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.33]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="920">
<Cell id="1"><![CDATA[SketchEl!(6,6)
O=2.3133,-0.0000;0,0,i0
C=0.8133,-0.0000;0,0,i0
N=-0.0684,1.2135;0,0,i1
C=-1.4949,0.7500;0,0,i2
C=-1.4949,-0.7500;0,0,i2
N=-0.0684,-1.2135;0,0,i1
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-2=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1031]]></Cell>
<Cell id="4"><![CDATA[Z1741976468]]></Cell>
<Cell id="5"><![CDATA[O=C1NCCN1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.54]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="921">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=1.9989,-1.2990;0,0,i1
B=1.2489,0.0000;0,0,i0
O=1.9989,1.2990;0,0,i1
C=-0.2511,0.0000;0,0,i1
C=-1.3117,-1.0607;0,0,i2
C=-2.3724,0.0000;0,0,i2
C=-1.3117,1.0607;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1032]]></Cell>
<Cell id="4"><![CDATA[Z1741980935]]></Cell>
<Cell id="5"><![CDATA[OB(O)C1CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="922">
<Cell id="1"><![CDATA[SketchEl!(5,5)
N=2.6196,0.0000;0,0,i0
C=1.1196,0.0000;0,0,i0
C=-0.3804,-0.0000;0,0,i1
C=-1.6794,0.7500;0,0,i2
C=-1.6794,-0.7500;0,0,i2
1-2=3,0
2-3=1,0
3-4=1,0
4-5=1,0
5-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1033]]></Cell>
<Cell id="4"><![CDATA[Z1245735215]]></Cell>
<Cell id="5"><![CDATA[N#CC1CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.89]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="923">
<Cell id="1"><![CDATA[SketchEl!(8,7)
Cl=0.0000,2.5711;0,0,e1
N=1.9356,-0.9598;0,0,i2
C=0.9114,0.1362;0,0,i0
O=1.3485,1.5711;0,0,i0
C=-0.5498,-0.2027;0,0,i0
N=-0.4697,-1.7006;0,0,i2
C=-1.1373,1.1774;0,0,i2
C=-2.0388,-0.0215;0,0,i2
2-3=1,0
3-4=2,0
3-5=1,0
5-6=1,0
5-7=1,0
7-8=1,0
8-5=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1034]]></Cell>
<Cell id="4"><![CDATA[Z1415893881]]></Cell>
<Cell id="5"><![CDATA[Cl.NC(=O)C1(N)CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[2.92]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="924">
<Cell id="1"><![CDATA[SketchEl!(6,5)
C=1.5000,1.2990;0,0,i3
C=0.7500,0.0000;0,0,i1
O=1.5000,-1.2990;0,0,i1
C=-0.7500,-0.0000;0,0,i0
O=-1.5000,1.2990;0,0,i0
O=-1.5000,-1.2990;0,0,i1
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
4-6=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1035]]></Cell>
<Cell id="4"><![CDATA[Z1741982441]]></Cell>
<Cell id="5"><![CDATA[CC(O)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="925">
<Cell id="1"><![CDATA[SketchEl!(5,5)
N=-2.2332,0.4144;0,0,i2
C=-1.1412,-0.6140;0,0,i2
C=0.2954,-0.1826;0,0,i1
C=1.7553,-0.5272;0,0,i2
C=1.3238,0.9094;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1036]]></Cell>
<Cell id="4"><![CDATA[Z1198394159]]></Cell>
<Cell id="5"><![CDATA[NCC1CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.43]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="926">
<Cell id="1"><![CDATA[SketchEl!(6,5)
C=1.5000,1.2990;0,0,i3
C=0.7500,0.0000;0,0,i0
O=1.5000,-1.2990;0,0,i0
C=-0.7500,-0.0000;0,0,i0
O=-1.5000,1.2990;0,0,i0
O=-1.5000,-1.2990;0,0,i1
1-2=1,0
2-3=2,0
2-4=1,0
4-5=2,0
4-6=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1037]]></Cell>
<Cell id="4"><![CDATA[Z1741977082]]></Cell>
<Cell id="5"><![CDATA[CC(=O)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="927">
<Cell id="1"><![CDATA[SketchEl!(8,6)
Cl=0.0000,2.6381;0,0,e1
C=-2.7865,0.2956;0,0,i3
N=-1.3548,0.7431;0,0,i1
C=-0.2514,-0.2730;0,0,i0
O=-0.5797,-1.7367;0,0,i0
C=1.1803,0.1745;0,0,i1
C=2.2837,-0.8417;0,0,i3
N=1.5086,1.6381;0,0,i2
2-3=1,0
3-4=1,0
4-5=2,0
4-6=1,0
6-7=1,2
6-8=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1038]]></Cell>
<Cell id="4"><![CDATA[Z1346385420]]></Cell>
<Cell id="5"><![CDATA[Cl.CNC(=O)[C@@H](C)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="928">
<Cell id="1"><![CDATA[SketchEl!(8,7)
Cl=0.0000,2.6317;0,0,e1
N=-1.6042,-1.6317;0,0,i2
C=-0.3906,-0.7500;0,0,i1
C=1.0360,-1.2135;0,0,i2
C=1.9176,0.0000;0,0,i2
N=1.0360,1.2135;0,0,i1
C=-0.3906,0.7500;0,0,i0
O=-1.6042,1.6317;0,0,i0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=2,0
7-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1039]]></Cell>
<Cell id="4"><![CDATA[Z3234814534]]></Cell>
<Cell id="5"><![CDATA[Cl.NC1CCNC1=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.4]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="929">
<Cell id="1"><![CDATA[SketchEl!(8,6)
Cl=0.0000,2.6381;0,0,e1
C=-2.7865,0.2956;0,0,i3
C=-1.3548,0.7431;0,0,i2
C=-0.2514,-0.2730;0,0,i1
N=-0.5797,-1.7367;0,0,i2
C=1.1803,0.1745;0,0,i0
O=1.5086,1.6381;0,0,i0
N=2.2837,-0.8417;0,0,i2
2-3=1,0
3-4=1,0
4-5=1,1
4-6=1,0
6-7=2,0
6-8=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1040]]></Cell>
<Cell id="4"><![CDATA[Z1450533799]]></Cell>
<Cell id="5"><![CDATA[Cl.CC[C@H](N)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.08]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="930">
<Cell id="1"><![CDATA[SketchEl!(7,7)
O=2.5714,0.0000;0,0,i1
C=1.0714,-0.0000;0,0,i0
C=0.3214,-1.2990;0,0,i1
C=-1.1786,-1.2990;0,0,i1
N=-1.9286,0.0000;0,0,i0
N=-1.1786,1.2990;0,0,i0
C=0.3214,1.2990;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
2-7=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1041]]></Cell>
<Cell id="4"><![CDATA[Z1741975221]]></Cell>
<Cell id="5"><![CDATA[OC=1C=CN=NC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - no diffraction]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="931">
<Cell id="1"><![CDATA[SketchEl!(7,7)
N=-2.8157,0.4537;0,0,i2
C=-1.7770,-0.6285;0,0,i2
C=-0.3205,-0.2700;0,0,i0
C=0.8257,-1.2376;0,0,i1
C=2.1002,-0.4466;0,0,i1
S=1.7417,1.0099;0,0,i0
C=0.2456,1.1191;0,0,i1
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
3-7=2,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1042]]></Cell>
<Cell id="4"><![CDATA[Z1262255347]]></Cell>
<Cell id="5"><![CDATA[NCC=1C=CSC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.42]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="932">
<Cell id="1"><![CDATA[SketchEl!(6,5)
Cl=0.0000,2.0607;0,0,e1
O=2.0485,0.0000;0,0,i1
C=0.5485,-0.0000;0,0,i1
C=-0.5121,-1.0607;0,0,i2
N=-1.5728,0.0000;0,0,i1
C=-0.5121,1.0607;0,0,i2
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-3=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1043]]></Cell>
<Cell id="4"><![CDATA[Z1262327449]]></Cell>
<Cell id="5"><![CDATA[Cl.OC1CNC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.85]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="933">
<Cell id="1"><![CDATA[SketchEl!(6,4)
Cl=0.0000,2.2990;0,0,e1
C=1.3500,1.2990;0,0,i3
C=0.6000,0.0000;0,0,i1
N=1.3500,-1.2990;0,0,i2
C=-0.9000,0.0000;0,0,i0
C=-2.4000,-0.0000;0,0,i1
2-3=1,0
3-4=1,0
3-5=1,0
5-6=3,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1044]]></Cell>
<Cell id="4"><![CDATA[Z1954800314]]></Cell>
<Cell id="5"><![CDATA[Cl.CC(N)C#C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="934">
<Cell id="1"><![CDATA[SketchEl!(8,7)
Cl=0.0000,2.2135;0,0,e1
N=3.2686,-0.0000;0,0,i0
C=1.7686,-0.0000;0,0,i0
C=0.2686,-0.0000;0,0,i0
C=-0.6131,1.2135;0,0,i1
N=-2.0397,0.7500;0,0,i1
C=-2.0397,-0.7500;0,0,i1
N=-0.6131,-1.2135;0,0,i0
2-3=3,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
8-4=1,0
!End
]]></Cell>
<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1045]]></Cell>
<Cell id="4"><![CDATA[Z2301685688]]></Cell>
<Cell id="5"><![CDATA[Cl.N#CC1=CNC=N1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:Cracked]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.83]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
<Row id="935">
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<Cell id="3"><![CDATA[Mpro-x1046]]></Cell>
<Cell id="4"><![CDATA[Z3235034972]]></Cell>
<Cell id="5"><![CDATA[O[C@H]1COC[C@H]1O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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2-4=1,0
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<Cell id="3"><![CDATA[Mpro-x1047]]></Cell>
<Cell id="4"><![CDATA[Z3234823734]]></Cell>
<Cell id="5"><![CDATA[O=S1(=O)CCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.7872,1.4721;0,0,i1
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<Cell id="3"><![CDATA[Mpro-x1211]]></Cell>
<Cell id="4"><![CDATA[Z2856434786]]></Cell>
<Cell id="5"><![CDATA[CNCC=1C=CN=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.5]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.1482,1.0389;0,0,i2
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2-4=1,0
4-5=1,0
5-6=1,0
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7-8=2,0
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12-13=1,0
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<Cell id="3"><![CDATA[Mpro-x1212]]></Cell>
<Cell id="4"><![CDATA[Z2856434941]]></Cell>
<Cell id="5"><![CDATA[C[C@H](O)CNCC=1C=CC=2OCOC2C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.2]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-1.2344,-0.8318;0,0,i1
C=-0.4879,-2.1328;0,0,i2
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C=3.2656,-0.8439;0,0,i1
C=4.0191,0.4531;0,0,i1
C=3.2726,1.7542;0,0,i1
C=1.7726,1.7582;0,0,i1
C=1.0191,0.4612;0,0,i0
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1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=2,0
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11-12=1,0
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14-5=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1213]]></Cell>
<Cell id="4"><![CDATA[Z1492796719]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NC1CNC=2C=CC=CC2C1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.52]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=1.4881,-1.2135;0,0,i2
C=2.3698,-0.0000;0,0,i1
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C=1.4881,1.2135;0,0,i2
C=0.0615,0.7500;0,0,i1
C=-1.1520,1.6317;0,0,i0
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1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
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6-8=1,0
8-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1214]]></Cell>
<Cell id="4"><![CDATA[Z1824511473]]></Cell>
<Cell id="5"><![CDATA[CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.9]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.7308,-0.0000;0,0,i0
C=0.9808,-1.2990;0,0,i1
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C=-1.2692,0.0000;0,0,i0
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C=0.9808,1.2990;0,0,i1
C=-2.7692,0.0000;0,0,i0
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F=-2.7692,1.5000;0,0,i0
F=-2.7692,-1.5000;0,0,i0
1-2=1,0
2-3=2,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
7-10=1,0
10-11=1,0
10-12=1,0
10-13=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1215]]></Cell>
<Cell id="4"><![CDATA[Z1745658474]]></Cell>
<Cell id="5"><![CDATA[NC(=O)C=1C=NC(=NC1)C(F)(F)F]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.27]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.2675,-1.4724;0,0,i2
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C=2.3303,-1.5064;0,0,i2
C=3.6391,-0.7735;0,0,i2
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C=2.3696,1.4933;0,0,i2
C=1.0608,0.7604;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
11-12=1,0
12-13=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1216]]></Cell>
<Cell id="4"><![CDATA[Z2856434925]]></Cell>
<Cell id="5"><![CDATA[ClC=1SN=NC1CN2CCOCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.68]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.0836,0.9390;0,0,i1
C=-1.6678,1.4347;0,0,i1
C=-0.5307,0.4565;0,0,i0
C=-0.8092,-1.0174;0,0,i1
C=-2.2250,-1.5131;0,0,i1
C=0.8851,0.9522;0,0,i0
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C=4.5751,-0.5085;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
6-9=1,0
9-10=2,0
9-11=1,0
11-12=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1217]]></Cell>
<Cell id="4"><![CDATA[Z33546965]]></Cell>
<Cell id="5"><![CDATA[COC=1C=CC(=CC1)C(=O)NCC(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.67]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.9596,1.0982;0,0,i1
C=-0.4956,1.4251;0,0,i1
C=0.5195,0.3208;0,0,i0
C=0.0707,-1.1105;0,0,i1
C=-1.3933,-1.4374;0,0,i1
C=1.9834,0.6478;0,0,i1
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C=2.9985,-0.4566;0,0,i0
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1-2=1,0
2-3=1,0
3-4=2,0
4-5=1,0
5-6=2,0
6-7=1,0
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6-9=1,0
9-10=1,0
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<Cell id="3"><![CDATA[Mpro-x1218]]></Cell>
<Cell id="4"><![CDATA[Z56755722]]></Cell>
<Cell id="5"><![CDATA[COC=1C=CC(=CC1)C(N)C(=O)O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.67]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.6853,-0.6503;0,0,i2
C=0.7732,-0.3002;0,0,i1
C=1.1993,1.1380;0,0,i2
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C=3.6904,0.4000;0,0,i2
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1-2=1,0
2-3=2,0
2-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
8-9=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1219]]></Cell>
<Cell id="4"><![CDATA[Z1269638430]]></Cell>
<Cell id="5"><![CDATA[CC(=O)NCC1CNCCO1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.65]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=1.3817,1.1574;0,0,i2
C=2.8395,1.5107;0,0,i2
O=3.8743,0.4248;0,0,i0
C=3.4514,-1.0143;0,0,i2
C=1.9936,-1.3676;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
4-6=1,0
6-7=2,0
6-8=1,0
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<Cell id="3"><![CDATA[Mpro-x1220]]></Cell>
<Cell id="4"><![CDATA[Z927400026]]></Cell>
<Cell id="5"><![CDATA[CC(C)C(N)C(=O)N1CCOCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.69]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.8267,-2.0586;0,0,i3
C=0.0049,-0.2160;0,0,i0
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C=2.4290,-0.3358;0,0,i0
C=3.8310,-0.8692;0,0,i3
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C=0.5383,1.1860;0,0,i0
C=-0.2824,2.4415;0,0,i3
1-2=1,0
2-3=1,0
3-4=1,0
3-5=1,0
5-6=1,0
6-7=1,0
7-8=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1221]]></Cell>
<Cell id="4"><![CDATA[Z1266823232]]></Cell>
<Cell id="5"><![CDATA[CNC(C)C=1SC(C)=NC1C]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=2.6000,-0.0000;0,0,i0
C=1.8500,-1.2990;0,0,i1
C=0.3500,-1.2990;0,0,i1
C=-0.4000,-0.0000;0,0,i0
C=0.3500,1.2990;0,0,i1
C=1.8500,1.2990;0,0,i1
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C=-2.6500,1.2990;0,0,i2
C=-4.1500,1.2990;0,0,i2
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C=-4.1500,-1.2990;0,0,i2
C=-2.6500,-1.2990;0,0,i2
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
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7-10=1,0
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11-12=1,0
12-13=1,0
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14-15=1,0
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<Cell id="3"><![CDATA[Mpro-x1222]]></Cell>
<Cell id="4"><![CDATA[Z1259341012]]></Cell>
<Cell id="5"><![CDATA[CC(N)C=1C=CC(=CC1)N2CCOCC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.4888,1.3719;0,0,i2
C=-1.9888,1.3622;0,0,i2
C=-2.4430,-0.0674;0,0,i2
C=-1.2238,-0.9412;0,0,i2
C=1.3503,0.5674;0,0,i0
O=1.4973,2.0602;0,0,i0
N=2.5695,-0.3063;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
3-8=1,0
8-9=2,0
8-10=1,0
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<Cell id="4"><![CDATA[Z1348559502]]></Cell>
<Cell id="5"><![CDATA[CNC1(CCCC1)C(=O)N]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-2.6002,1.2010;0,0,i2
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<Cell id="4"><![CDATA[Z1259161657]]></Cell>
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<Cell id="4"><![CDATA[Z1267773633]]></Cell>
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C=0.6700,0.9820;0,0,i2
C=2.0874,1.4730;0,0,i2
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1227]]></Cell>
<Cell id="4"><![CDATA[Z212045094]]></Cell>
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<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
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C=-0.2133,1.4149;0,0,i2
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C=2.6673,0.5769;0,0,i2
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2-3=1,0
3-4=1,0
4-5=1,0
5-6=1,0
6-7=1,0
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8-9=1,0
9-10=1,0
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<Cell id="3"><![CDATA[Mpro-x1228]]></Cell>
<Cell id="4"><![CDATA[Z1741794237]]></Cell>
<Cell id="5"><![CDATA[CC1CNCCN1CCO]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.5]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.8773,1.8836;0,0,i1
C=-0.9654,0.6927;0,0,i0
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C=1.4340,-0.3039;0,0,i0
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C=2.9213,-0.1096;0,0,i0
C=3.6384,1.2079;0,0,i1
C=5.1130,0.9331;0,0,i1
C=5.3073,-0.5543;0,0,i1
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C=-1.5408,-0.6926;0,0,i1
C=-3.0281,-0.8869;0,0,i0
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1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=2,0
10-11=1,0
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12-13=1,0
5-14=1,0
14-15=2,0
15-16=1,0
2-15=1,0
13-9=1,0
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<Cell id="3"><![CDATA[Mpro-x1229]]></Cell>
<Cell id="4"><![CDATA[Z1430613384]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CC(NC(=O)C2=CC=CO2)=CC1O]]></Cell>
<Cell id="6"><![CDATA[OK: Crystalline:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.35]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-1.2316,-2.5280;0,0,i3
C=-1.3592,0.0670;0,0,i0
N=-2.1721,1.3276;0,0,i0
C=-1.4867,2.6619;0,0,i1
N=0.0114,2.7356;0,0,i0
C=0.8243,1.4749;0,0,i0
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C=2.5349,-0.2468;0,0,i0
C=3.8692,-0.9322;0,0,i3
C=1.1962,-0.9235;0,0,i0
C=0.9567,-2.4043;0,0,i3
C=0.1390,0.1406;0,0,i0
1-2=1,0
2-3=1,0
2-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=1,0
9-10=1,0
10-11=1,0
10-12=2,0
12-13=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1230]]></Cell>
<Cell id="4"><![CDATA[Z31222641]]></Cell>
<Cell id="5"><![CDATA[CN(C)C=1N=CN=C2SC(C)=C(C)C12]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.68]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-3.0299,-0.3091;0,0,i0
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C=-0.6576,0.2036;0,0,i0
N=-1.4120,1.5001;0,0,i0
O=-2.8782,1.1832;0,0,i0
C=0.8347,0.0518;0,0,i0
C=1.4494,-1.3165;0,0,i1
C=2.9417,-1.4682;0,0,i1
C=3.8193,-0.2517;0,0,i1
C=3.2045,1.1165;0,0,i1
C=1.7122,1.2683;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
4-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=2,0
6-2=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1231]]></Cell>
<Cell id="4"><![CDATA[Z57791725]]></Cell>
<Cell id="5"><![CDATA[CC1=NC(=NO1)C=2C=CC=CC2]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[3.41]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-0.3015,-0.2337;0,0,i0
C=-1.3372,-1.3188;0,0,i2
O=-2.7947,-0.9645;0,0,i1
C=0.3005,1.1401;0,0,i2
C=1.7914,1.3057;0,0,i2
O=2.6802,0.0974;0,0,i0
C=2.0781,-1.2765;0,0,i2
C=0.5873,-1.4421;0,0,i2
1-2=1,0
2-3=1,0
3-4=1,0
4-5=1,0
3-6=1,0
6-7=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1232]]></Cell>
<Cell id="4"><![CDATA[Z1169060901]]></Cell>
<Cell id="5"><![CDATA[CNC1(CO)CCOCC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[2.33]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=4.4810,-0.1398;0,0,i0
C=3.4000,-1.1797;0,0,i1
C=1.9589,-0.7635;0,0,i1
C=1.5988,0.6926;0,0,i0
N=0.1577,1.1088;0,0,i1
C=-0.9233,0.0689;0,0,i0
N=-0.5632,-1.3872;0,0,i0
C=-1.6442,-2.4272;0,0,i1
N=-3.0853,-2.0110;0,0,i0
C=-3.4454,-0.5548;0,0,i0
N=-4.7685,0.1519;0,0,i1
N=-4.5052,1.6286;0,0,i0
C=-3.0194,1.8345;0,0,i1
C=-2.3644,0.4851;0,0,i0
C=2.6798,1.7325;0,0,i1
C=4.1209,1.3163;0,0,i1
1-2=1,0
2-3=2,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
10-11=1,0
11-12=1,0
12-13=1,0
13-14=2,0
14-15=1,0
5-16=1,0
16-17=2,0
2-17=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1233]]></Cell>
<Cell id="4"><![CDATA[Z57101343]]></Cell>
<Cell id="5"><![CDATA[CC=1C=CC(NC=2N=CN=C3NN=CC23)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: Precipitated:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.27]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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C=-2.6733,0.9183;0,0,i3
C=-4.7613,0.5439;0,0,i2
O=-4.6349,2.0386;0,0,i1
N=-2.2989,-1.1698;0,0,i1
C=-0.9413,-0.5319;0,0,i0
O=-0.8148,0.9627;0,0,i0
N=0.2899,-1.3888;0,0,i1
C=1.6476,-0.7509;0,0,i0
C=1.7740,0.7437;0,0,i1
C=3.1316,1.3816;0,0,i1
C=4.3628,0.5247;0,0,i0
Cl=5.7205,1.1626;0,0,i0
C=4.2364,-0.9699;0,0,i1
C=2.8788,-1.6077;0,0,i1
1-2=1,0
2-3=1,0
2-4=1,0
4-5=1,0
2-6=1,0
6-7=1,0
7-8=2,0
7-9=1,0
9-10=1,0
10-11=2,0
11-12=1,0
12-13=2,0
13-14=1,0
13-15=1,0
15-16=2,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1234]]></Cell>
<Cell id="4"><![CDATA[Z123970702]]></Cell>
<Cell id="5"><![CDATA[CC(C)(CO)NC(=O)NC=1C=CC(Cl)=CC1]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[success]]></Cell>
<Cell id="8"><![CDATA[1.49]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
<Cell id="10"/></Row>
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C=-2.4501,-0.8614;0,0,i0
N=-1.0214,-0.4046;0,0,i0
C=0.1880,-1.2920;0,0,i2
C=1.5611,-0.6883;0,0,i0
C=2.7705,-1.5757;0,0,i1
C=4.1437,-0.9720;0,0,i1
C=4.3075,0.5190;0,0,i1
C=3.0981,1.4064;0,0,i1
C=1.7249,0.8027;0,0,i1
N=-3.3261,0.3562;0,0,i0
C=-4.8261,0.3632;0,0,i3
S=-2.4387,1.5656;0,0,i0
C=-1.0144,1.0954;0,0,i0
O=0.2033,1.9713;0,0,i0
1-2=2,0
2-3=1,0
3-4=1,0
4-5=1,0
5-6=2,0
6-7=1,0
7-8=2,0
8-9=1,0
9-10=2,0
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11-12=1,0
11-13=1,0
13-14=1,0
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14-3=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1293]]></Cell>
<Cell id="4"><![CDATA[T8325-5MG TDZD-8]]></Cell>
<Cell id="5"><![CDATA[O=C(N1CC2=CC=CC=C2)N(C)SC1=O]]></Cell>
<Cell id="6"><![CDATA[OK: Crystalline:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - loop empty]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
<Row id="961">
<Cell id="1"><![CDATA[SketchEl!(16,18)
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C=0.5188,1.0479;0,0,i0
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C=-1.8643,-0.1628;0,0,i0
C=-2.6128,1.1371;0,0,i1
C=-4.1128,1.1388;0,0,i1
C=-4.8643,-0.1593;0,0,i1
C=-4.1158,-1.4592;0,0,i1
C=-2.6158,-1.4610;0,0,i1
Se=0.5160,-1.3791;0,0,i0
C=1.9431,-0.9173;0,0,i0
C=3.2413,-1.6688;0,0,i1
C=4.5412,-0.9203;0,0,i1
C=4.5429,0.5797;0,0,i1
C=3.2448,1.3312;0,0,i1
C=1.9449,0.5827;0,0,i0
1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
3-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
16-2=1,0
9-4=1,0
16-11=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1294]]></Cell>
<Cell id="4"><![CDATA[E3520-25MG EBSELEN]]></Cell>
<Cell id="5"><![CDATA[O=C1N(C2=CC=CC=C2)[Se]C3=CC=CC=C13]]></Cell>
<Cell id="6"><![CDATA[OK: Precipitated:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - low resolution]]></Cell>
<Cell id="8"><![CDATA[4.13]]></Cell>
<Cell id="9"><![CDATA[7 - Analysed & Rejected]]></Cell>
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<Cell id="1"><![CDATA[SketchEl!(17,19)
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C=0.0000,-1.8673;0,0,i0
C=-1.2990,-2.6173;0,0,i1
C=-1.2990,-4.1173;0,0,i1
C=0.0000,-4.8673;0,0,i1
C=1.2990,-4.1173;0,0,i1
C=1.2990,-2.6173;0,0,i1
C=-1.2135,0.5144;0,0,i0
C=-0.7500,1.9410;0,0,i0
C=0.7500,1.9410;0,0,i0
C=1.5000,3.2400;0,0,i1
C=0.7500,4.5391;0,0,i1
C=-0.7500,4.5391;0,0,i1
C=-1.5000,3.2400;0,0,i1
O=-2.6401,0.0509;0,0,i0
1-2=2,0
2-3=1,0
3-4=1,0
4-5=2,0
5-6=1,0
6-7=2,0
7-8=1,0
8-9=2,0
3-10=1,0
10-11=1,0
11-12=2,0
12-13=1,0
13-14=2,0
14-15=1,0
15-16=2,0
10-17=2,0
12-2=1,0
9-4=1,0
16-11=1,0
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<Cell id="2">false</Cell>
<Cell id="3"><![CDATA[Mpro-x1295]]></Cell>
<Cell id="4"><![CDATA[SML0419-5MG EBSELEN OXIDE]]></Cell>
<Cell id="5"><![CDATA[O=[Se]1N(C2=CC=CC=C2)C(C3=C1C=CC=C3)=O]]></Cell>
<Cell id="6"><![CDATA[OK: No comment:No comment]]></Cell>
<Cell id="7"><![CDATA[Failed - processing]]></Cell>
<Cell id="8"/>
<Cell id="9"/>
<Cell id="10"/></Row>
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1-2=1,0
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<Cell id="1"><![CDATA[SketchEl!(7,7)
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1-2=1,0
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