smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=NNC(=S)N(CCO)CCO)C(=O)N1	ZINC000001882523	545658439	/nfs/dbraw/zinc/65/84/39/545658439.db2.gz	FOCDBURTATVXCF-UHFFFAOYSA-N	-1	0	303.300	-3.131	50	30		DAEARM
[NH3+][C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003830893	372766026	/nfs/dbraw/zinc/76/60/26/372766026.db2.gz	RWSXRVCMGQZWBV-RITPCOANSA-N	-1	0	307.328	-2.206	50	30	biogenic,in-vitro	DAEARM
[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003830891	303448621	/nfs/dbraw/zinc/44/86/21/303448621.db2.gz	RWSXRVCMGQZWBV-WDSKDSINSA-N	-1	0	307.328	-2.206	50	30	endogenous,fda	DAEARM
CCOC(=O)C(C#N)=N[N-]c1nc2c([nH]1)n(C)c(=O)n(C)c2=O	ZINC000027548669	520398094	/nfs/dbraw/zinc/39/80/94/520398094.db2.gz	KPXSVPJUTXGHMG-SOFYXZRVSA-N	-1	0	319.281	-1.185	50	30		DAEARM
[NH3+][C@@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003830892	372766801	/nfs/dbraw/zinc/76/68/01/372766801.db2.gz	RWSXRVCMGQZWBV-NTSWFWBYSA-N	-1	0	307.328	-2.206	50	30	in-vitro	DAEARM
[NH3+][C@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003830894	303479989	/nfs/dbraw/zinc/47/99/89/303479989.db2.gz	RWSXRVCMGQZWBV-PHDIDXHHSA-N	-1	0	307.328	-2.206	50	30	in-vitro	DAEARM
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)Cn3cncn3)C[C@H]2C1=O	ZINC000072457968	191173254	/nfs/dbraw/zinc/17/32/54/191173254.db2.gz	BCCPEPXHCHHJEY-IINYFYTJSA-N	-1	0	319.321	-1.164	50	30		DAEARM
O=C([O-])c1ccc(N=NC2NC(=O)C([N+](=O)[O-])C(=O)N2)cc1	ZINC000016401121	304248480	/nfs/dbraw/zinc/24/84/80/304248480.db2.gz	DWRFWABJMMZMPW-UHFFFAOYSA-N	-1	0	307.222	-1.041	50	30		DAEARM
[NH3+]CCO[N-]C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-]	ZINC000207610051	545849930	/nfs/dbraw/zinc/84/99/30/545849930.db2.gz	RSBPYSTVZQAADE-RQJHMYQMSA-N	-1	0	324.315	-2.004	50	30		DAEARM