0  B16R1.98339  NC1=C(C(=C(C(=C1Br)C(=O)O)Br)C(=O)O)Br MCULE-7944182639 [0,0,0,0,0,0|0,0,0]=0
1  B16R1.98339  NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)O)I MCULE-5235878606 [0,0,0,0,0,0|0,3,0]=3
2  B16R1.98339  O=C(O)C1=C(C(=C(C(=C1F)C(=O)O)F)F)F MCULE-6467026111 [0,0,0,0,0,0|1,3,0]=4
3  B15R1.60605  O=C(O)C1=CC(=C(C(=C1F)F)F)C(=O)O MCULE-8098100629 [1,0,0,0,0,0|1,2,0]=4
4  B14R1.6035  CC1=CC(=C(C=C1C(=O)O)C(=O)O)C MCULE-2354794738 [2,0,0,0,0,0|2,0,0]=4
5  B14R1.6035  NC1=CC(=C(C=C1C(=O)O)C(=O)O)N MCULE-8086967353 [2,0,0,0,0,0|2,0,0]=4
6  B14R1.6035  O=C(O)C1=CC(=C(C=C1Br)Br)C(=O)O MCULE-9775467802 [2,0,0,0,0,0|0,0,0]=2
7  B14R1.6035  O=C(O)C1=CC(=C(C=C1Br)Br)N(=O)=O MCULE-6020617978 [2,0,0,0,0,0|1,0,1]=4
8  B14R1.6035  O=C(O)C1=CC(=C(C=C1O)O)C(=O)O MCULE-1791733091 [2,0,0,0,0,0|2,0,0]=4
9  B14R1.6045  O=C(O)C1=C(C=CC(=C1Br)N(=O)=O)Br MCULE-9121181745 [2,0,0,0,0,0|1,0,1]=4
10  B14R1.3145  NC1=C(C=C(C=C1C(=O)O)I)C(=O)O MCULE-7163654676 [2,0,0,0,0,0|2,0,0]=4
11  B14R1.3145  NC1=CC(=C(C(=C1)C(=O)O)O)C(=O)O MCULE-3978386852 [2,0,0,0,0,0|1,0,0]=3
12  B14R1.3145  O=C(O)C1=CC(=CC(=C1Br)C(=O)O)Br MCULE-8688520739 [2,0,0,0,0,0|1,0,0]=3
13  B14R1.3145  O=C(O)C1=CC(=CC(=C1I)C(=O)O)Br MCULE-5007011186 [2,0,0,0,0,0|1,1,0]=4
14  B14R1.3145  O=C(O)C1=CC(=CC(=C1O)C(=O)O)Br MCULE-2755602148 [2,0,0,0,0,0|2,0,0]=4
15  B14R1.14211  CC1=C(C(=CC(=C1)C(=O)O)C(=O)O)C MCULE-2735476482 [2,0,0,0,0,0|2,0,0]=4
16  B14R1.14211  CC1=CC(=CC(=C1O)C(=O)O)C(=O)O MCULE-7483859772 [2,0,0,0,0,0|2,0,0]=4
17  B14R1.14211  NC1=C(C(=CC(=C1)C(=O)O)C(=O)O)O MCULE-2057880640 [2,0,0,0,0,0|1,0,0]=3
18  B14R1.27331  O=C(O)C1=C(C(=C(C(=C1Br)Br)Br)Br)Br MCULE-6810355139 [2,0,0,0,0,0|2,0,0]=4