smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(N=[N+]=[N-])=C([O-])c1ccccc1F	238458693	573653594	/nfs/dbraw/zinc/65/35/94/573653594.db2.gz	ZISZSGZPSATOEE-LURJTMIESA-N	-1	3	193.181	2.707	10	10		AFCEHM
CCc1ccc(C([O-])=CN=[N+]=[N-])s1	130734238	573691098	/nfs/dbraw/zinc/69/10/98/573691098.db2.gz	HDQWTOSTZKJQLB-UHFFFAOYSA-N	-1	3	195.247	2.804	10	10		AFCEHM
[O-]c1cscc1-c1ccncc1	334508	571691718	/nfs/dbraw/zinc/69/17/18/571691718.db2.gz	OBSLSYAXCBPQCK-UHFFFAOYSA-N	-1	3	177.228	2.516	10	10		AFCEHM
[O-]c1c(Cl)cc2c(c1O)CCCC2	214132878	571720471	/nfs/dbraw/zinc/72/04/71/571720471.db2.gz	OMWRBIPPTCFLNI-UHFFFAOYSA-N	-1	3	198.649	2.630	10	10		AFCEHM
[O-]c1c(O)cc2c(c1Cl)CCCC2	214132960	571721154	/nfs/dbraw/zinc/72/11/54/571721154.db2.gz	FNPSXSZVTRTZIK-UHFFFAOYSA-N	-1	3	198.649	2.630	10	10		AFCEHM
Cc1cc(Cl)c([O-])c(O)c1Cl	34611652	572101431	/nfs/dbraw/zinc/10/14/31/572101431.db2.gz	CHQNQSPYETYIHI-UHFFFAOYSA-N	-1	3	193.029	2.713	10	10	in-vitro	AFCEHM
[O-]c1c(Cl)cc2ccccc2c1O	36420335	572209829	/nfs/dbraw/zinc/20/98/29/572209829.db2.gz	XLYUUPZRQATRQE-UHFFFAOYSA-N	-1	3	194.617	2.904	10	10		AFCEHM
CCCC1(CCC)CC(=C[O-])C(=O)O1	238197331	572326933	/nfs/dbraw/zinc/32/69/33/572326933.db2.gz	YWZZBKBEEVNXTC-CMDGGOBGSA-N	-1	3	198.262	2.714	10	10		AFCEHM
[O-]c1c(O)ccc2cccc(Cl)c12	196602333	572340876	/nfs/dbraw/zinc/34/08/76/572340876.db2.gz	KQGNDFJWTHIWGG-UHFFFAOYSA-N	-1	3	194.617	2.904	10	10		AFCEHM
CCCC1(CCC)CC(=C[O-])C(=O)O1	308636001	573576274	/nfs/dbraw/zinc/57/62/74/573576274.db2.gz	YWZZBKBEEVNXTC-HJWRWDBZSA-N	-1	3	198.262	2.714	10	10		AFCEHM
[N-]=[N+]=NC=C([O-])c1ccccc1Cl	107339292	343749782	/nfs/dbraw/zinc/74/97/82/343749782.db2.gz	WSMOMJYNJIJKJC-UHFFFAOYSA-N	-1	3	195.609	2.833	10	10		AFCEHM
Cc1cc(Cl)cc([N-]N=O)c1N	2379222	168760068	/nfs/dbraw/zinc/76/00/68/168760068.db2.gz	BHJLSMBPJZDKDR-UHFFFAOYSA-N	-1	3	185.614	2.704	10	10		AFCEHM
CCc1csc2cc([O-])c(O)cc12	149750031	344070655	/nfs/dbraw/zinc/07/06/55/344070655.db2.gz	SFQMJDSSALOAKK-UHFFFAOYSA-N	-1	3	194.255	2.875	10	10		AFCEHM
CCC[C@H](NO)c1ccc(C)cc1[O-]	308373932	346293974	/nfs/dbraw/zinc/29/39/74/346293974.db2.gz	IEYUKAYSCRUBSA-JTQLQIEISA-N	-1	3	195.262	2.521	10	10		AFCEHM
CCCC[C@H](NO)c1ccccc1[O-]	308378874	346294605	/nfs/dbraw/zinc/29/46/05/346294605.db2.gz	AYVHMFQDROQDRA-JTQLQIEISA-N	-1	3	195.262	2.602	10	10		AFCEHM
CCC[C@@H](NO)c1ccc(C)cc1[O-]	308389958	346296740	/nfs/dbraw/zinc/29/67/40/346296740.db2.gz	IEYUKAYSCRUBSA-SNVBAGLBSA-N	-1	3	195.262	2.521	10	10		AFCEHM
CCCC[C@@H](NO)c1ccccc1[O-]	308525764	346310458	/nfs/dbraw/zinc/31/04/58/346310458.db2.gz	AYVHMFQDROQDRA-SNVBAGLBSA-N	-1	3	195.262	2.602	10	10		AFCEHM
CC(N=[N+]=[N-])=C([O-])c1ccccc1F	238409103	573469309	/nfs/dbraw/zinc/46/93/09/573469309.db2.gz	ZISZSGZPSATOEE-ZCFIWIBFSA-N	-1	3	193.181	2.707	10	10		AFCEHM