smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCCN([C@@H]2CCOC2=O)CC1	217945322	583490761	/nfs/dbraw/zinc/49/07/61/583490761.db2.gz	MBLIVBVGBJDXDC-SECBINFHSA-N	0	3	198.266	-0.061	20	70		ABIDHN
CCCCOC(=O)CNC(=O)CN	218156834	583491485	/nfs/dbraw/zinc/49/14/85/583491485.db2.gz	HTVXYMZUSLMIML-UHFFFAOYSA-N	0	3	188.227	-0.595	20	70		ABIDHN
CO[C@@H](C)C(=O)NCCN(C)C	160502129	344167619	/nfs/dbraw/zinc/16/76/19/344167619.db2.gz	VOKJFENZJSNISI-ZETCQYMHSA-N	0	3	174.244	-0.301	20	70		ABIDHN
CO[C@H](C)C(=O)NCCN(C)C	160502244	344167649	/nfs/dbraw/zinc/16/76/49/344167649.db2.gz	VOKJFENZJSNISI-SSDOTTSWSA-N	0	3	174.244	-0.301	20	70		ABIDHN
CC(C)N(C)CCNS(N)(=O)=O	161024079	344183503	/nfs/dbraw/zinc/18/35/03/344183503.db2.gz	SWHYTSJTIVRQCK-UHFFFAOYSA-N	0	3	195.288	-0.880	20	70		ABIDHN
CN(CCO)CCn1cncn1	217368198	344401411	/nfs/dbraw/zinc/40/14/11/344401411.db2.gz	SVIDPNDFBHAXCV-UHFFFAOYSA-N	0	3	170.216	-0.798	20	70		ABIDHN
C[C@@H](O)C[C@@H]1CCCN1CC(N)=O	159366552	538033195	/nfs/dbraw/zinc/03/31/95/538033195.db2.gz	IPWWBSSKKSOOSL-SFYZADRCSA-N	0	3	186.255	-0.293	20	70		ABIDHN
C[C@@H](O)C[C@H]1CCCN1CC(N)=O	159366850	538033288	/nfs/dbraw/zinc/03/32/88/538033288.db2.gz	IPWWBSSKKSOOSL-HTQZYQBOSA-N	0	3	186.255	-0.293	20	70		ABIDHN
C[C@H](O)C[C@H]1CCCN1CC(N)=O	159366715	538034263	/nfs/dbraw/zinc/03/42/63/538034263.db2.gz	IPWWBSSKKSOOSL-JGVFFNPUSA-N	0	3	186.255	-0.293	20	70		ABIDHN
C[C@H](O)C[C@@H]1CCCN1CC(N)=O	159366411	538035889	/nfs/dbraw/zinc/03/58/89/538035889.db2.gz	IPWWBSSKKSOOSL-YUMQZZPRSA-N	0	3	186.255	-0.293	20	70		ABIDHN
CC[C@@H](C(N)=O)N(CC)CCCO	160725212	538049111	/nfs/dbraw/zinc/04/91/11/538049111.db2.gz	CAKFRMJUQZTNIK-QMMMGPOBSA-N	0	3	188.271	-0.045	20	70		ABIDHN
CC[C@H](C(N)=O)N(CC)CCCO	160725340	538050244	/nfs/dbraw/zinc/05/02/44/538050244.db2.gz	CAKFRMJUQZTNIK-MRVPVSSYSA-N	0	3	188.271	-0.045	20	70		ABIDHN
CCN(CC)CCNS(N)(=O)=O	160782749	486977233	/nfs/dbraw/zinc/97/72/33/486977233.db2.gz	OPJSMPUWCALRDV-UHFFFAOYSA-N	0	3	195.288	-0.879	20	70		ABIDHN
CNCCNS(=O)(=O)NC(C)C	160842893	486977555	/nfs/dbraw/zinc/97/75/55/486977555.db2.gz	GQLGLDPHZVVKMS-UHFFFAOYSA-N	0	3	195.288	-0.962	20	70		ABIDHN
CCC[C@H](O)CNC(=O)[C@H](C)NC	217962811	487028770	/nfs/dbraw/zinc/02/87/70/487028770.db2.gz	OBEUYQHGCMGWLH-YUMQZZPRSA-N	0	3	188.271	-0.129	20	70		ABIDHN
CCC[C@@H](O)CNC(=O)[C@H](C)NC	217962720	487029024	/nfs/dbraw/zinc/02/90/24/487029024.db2.gz	OBEUYQHGCMGWLH-JGVFFNPUSA-N	0	3	188.271	-0.129	20	70		ABIDHN
C[C@H](CO)N(C)C[C@@H]1CCC(=O)N1	218150078	487029053	/nfs/dbraw/zinc/02/90/53/487029053.db2.gz	BRNFTGDYCBRIBY-SFYZADRCSA-N	0	3	186.255	-0.422	20	70		ABIDHN