smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(O)c(Br)c2ccc(-c3ccc(O)c(F)c3)cc12	ZINC000013645160	211045676	/nfs/dbraw/zinc/04/56/76/211045676.db2.gz	DSGIEWLMQGUMOC-UHFFFAOYSA-N	0	2	358.166	4.691	10	30		FJEELN
CCCCCOc1ccc(CN2c3ccc(Cl)cc3/C(=N/O)C2=O)cc1	ZINC000101101982	222261897	/nfs/dbraw/zinc/26/18/97/222261897.db2.gz	SJNKHHLUQFJWKD-QOCHGBHMSA-N	0	2	372.852	4.634	10	30		FJEELN
CCCCCOc1ccccc1CN1c2ccc(Cl)cc2/C(=N/O)C1=O	ZINC000101101964	520260916	/nfs/dbraw/zinc/26/09/16/520260916.db2.gz	OOGTVIBWXZSPBA-QOCHGBHMSA-N	0	2	372.852	4.634	10	30		FJEELN
N#C[C@@H](C(=O)c1ccc(Br)s1)c1c(F)cccc1Cl	ZINC000037344897	208178116	/nfs/dbraw/zinc/17/81/16/208178116.db2.gz	HHSLSMDTCOCROW-SSDOTTSWSA-N	0	2	358.619	4.793	10	30		FJEELN
N#CC(C(=O)c1ccc(Br)s1)c1c(F)cccc1Cl	ZINC000037344897	208178121	/nfs/dbraw/zinc/17/81/21/208178121.db2.gz	HHSLSMDTCOCROW-SSDOTTSWSA-N	0	2	358.619	4.793	10	30		FJEELN
N#C[C@H](C(=O)c1ccc(Br)s1)c1c(F)cccc1Cl	ZINC000037344899	208177707	/nfs/dbraw/zinc/17/77/07/208177707.db2.gz	HHSLSMDTCOCROW-ZETCQYMHSA-N	0	2	358.619	4.793	10	30		FJEELN
N#CC(C(=O)c1ccc(Br)s1)c1c(F)cccc1Cl	ZINC000037344899	208177713	/nfs/dbraw/zinc/17/77/13/208177713.db2.gz	HHSLSMDTCOCROW-ZETCQYMHSA-N	0	2	358.619	4.793	10	30		FJEELN
C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)C=C1C(=O)C(=O)CC(OC)C1=O	ZINC000043606368	518660272	/nfs/dbraw/zinc/66/02/72/518660272.db2.gz	JJWITJNSXCXULM-ZKZNVZPYSA-N	0	2	358.478	4.670	10	30		FJEELN