smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=C(NCCN1CC[NH2+]CC1)C(=S)NCCN1CC[NH2+]CC1	ZINC000019864754	202023804	/nfs/dbraw/zinc/02/38/04/202023804.db2.gz	VHQRNZLMFMSUFY-UHFFFAOYSA-N	2	0	344.554	-1.369	50	0		EAAARP
O=C(CN1CCN(C(=O)C23C[NH2+]CC2C[NH2+]C3)CC1)N1CCCCC1	ZINC000065369910	374300847	/nfs/dbraw/zinc/30/08/47/374300847.db2.gz	VMAVGXNRHANDRG-UHFFFAOYSA-N	2	0	349.479	-1.048	50	0		EAAARP
O=C(NCCN1CCN(c2ncccn2)CC1)C12C[NH2+]CC1C[NH2+]C2	ZINC000065407763	374300435	/nfs/dbraw/zinc/30/04/35/374300435.db2.gz	JPZVHFZCPBDIAO-UHFFFAOYSA-N	2	0	345.451	-1.476	50	0		EAAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCS(=O)(=O)N2CCCC2)C1	ZINC000065527408	374302472	/nfs/dbraw/zinc/30/24/72/374302472.db2.gz	WBOGNMIZIKJAMR-TZMCWYRMSA-N	2	0	330.454	-1.321	50	0		EAAARP
CN1CCCN(CC[NH3+])CCN(CC(N)=O)CCC[N@H+](C)CC1	ZINC000068604143	374313970	/nfs/dbraw/zinc/31/39/70/374313970.db2.gz	WRHAPQYBYNOUIT-UHFFFAOYSA-N	3	0	328.505	-1.308	50	0		EAAARP
C[NH+]1CCCN(CC(N)=O)CC[N@H+](C)CCCN(CC(N)=O)CC1	ZINC000068605083	414838762	/nfs/dbraw/zinc/83/87/62/414838762.db2.gz	MPNKIVHHGITQNJ-UHFFFAOYSA-N	2	0	342.488	-1.782	50	0		EAAARP
C[N@@H+]1CC[C@H]2CN(C(=O)c3cn(CCN4CC[NH2+]CC4)nn3)C[C@H]21	ZINC000077427400	203388503	/nfs/dbraw/zinc/38/85/03/203388503.db2.gz	KGPFAQZHYDKLMO-DZGCQCFKSA-N	2	0	333.440	-1.041	50	0		EAAARP
C[N@@H+]1C[C@H](NC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C[C@H]1CO	ZINC000077536686	203393922	/nfs/dbraw/zinc/39/39/22/203393922.db2.gz	YOPPKQMXWFUSQY-OLZOCXBDSA-N	2	0	337.428	-2.022	50	0		EAAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCN(CCn3cncn3)CC2)C1	ZINC000096165616	374344302	/nfs/dbraw/zinc/34/43/02/374344302.db2.gz	VVZMNCKTHKGWND-GDBMZVCRSA-N	2	0	333.440	-1.427	50	0		EAAARP
Cc1cc(N2CCN(CC(=O)N3CC[NH2+]CC3)C[C@H](O)C2)nc(N)[nH+]1	ZINC000097674136	219045803	/nfs/dbraw/zinc/04/58/03/219045803.db2.gz	RQYQKSOOVCXWAL-ZDUSSCGKSA-N	2	0	349.439	-1.718	50	0		EAAARP