smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1	ZINC000000891016	527488327	/nfs/dbraw/zinc/48/83/27/527488327.db2.gz	NZPAMSHQYRPUFB-SJORKVTESA-N	1	2	407.522	1.857	2	0		HDAFLO
O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)C1	ZINC000000891016	527488339	/nfs/dbraw/zinc/48/83/39/527488339.db2.gz	NZPAMSHQYRPUFB-SJORKVTESA-N	1	2	407.522	1.857	2	0		HDAFLO
COc1cc(-c2nc3ccc(N4CC[NH+](C)CC4)nc3[nH]2)c(OC)c2nc(CO)[nH]c21	ZINC000001658433	132247435	/nfs/dbraw/zinc/24/74/35/132247435.db2.gz	BARJWIXVPJSWOI-UHFFFAOYSA-N	1	2	423.477	1.763	1	0		HDAFLO
COc1cc(-c2nc3nc(N4CC[NH+](C)CC4)ccc3[nH]2)c(OC)c2[nH]c(CO)nc21	ZINC000001658433	132247437	/nfs/dbraw/zinc/24/74/37/132247437.db2.gz	BARJWIXVPJSWOI-UHFFFAOYSA-N	1	2	423.477	1.763	1	0		HDAFLO
COc1ccccc1N1CC[NH+](CCn2c(=O)c3cscc3n(C)c2=O)CC1	ZINC000000576611	132228739	/nfs/dbraw/zinc/22/87/39/132228739.db2.gz	IEXUOBXLYPFVGP-UHFFFAOYSA-N	1	2	400.504	1.593	1	0		HDAFLO
C[NH+]1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)CC1	ZINC000008589524	132330604	/nfs/dbraw/zinc/33/06/04/132330604.db2.gz	DFCJSHHRNGXDQZ-UHFFFAOYSA-N	1	2	414.516	1.924	1	0		HDAFLO
C/C=C1\C[N@H+]2CC[C@@]34c5ccccc5N[C@@]23[C@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC	ZINC000005412783	291187958	/nfs/dbraw/zinc/18/79/58/291187958.db2.gz	RVBBDUUBDPKZFR-GZJQZOJCSA-N	1	2	412.486	1.815	1	0	biogenic,in-vitro	HDAFLO
C/C=C1\C[N@@H+]2CC[C@@]34c5ccccc5N[C@@]23[C@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC	ZINC000005412783	291187960	/nfs/dbraw/zinc/18/79/60/291187960.db2.gz	RVBBDUUBDPKZFR-GZJQZOJCSA-N	1	2	412.486	1.815	1	0	biogenic,in-vitro	HDAFLO
O=C([C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2cccc[nH+]2)CC1	ZINC000004919662	132294289	/nfs/dbraw/zinc/29/42/89/132294289.db2.gz	SNDBJQPBQFKQON-QGZVFWFLSA-N	1	2	415.519	1.226	3	0	aggregator	HDAFLO
COc1ccccc1N1CC[NH+](CCn2c(=O)[nH]c3csc(C)c3c2=O)CC1	ZINC000000576612	132228779	/nfs/dbraw/zinc/22/87/79/132228779.db2.gz	IJRVYMMRMNHOKZ-UHFFFAOYSA-N	1	2	400.504	1.891	1	0		HDAFLO
C/C=C1\C[N@H+]2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@]4(COC(C)=O)C(=O)OC	ZINC000095909252	565174608	/nfs/dbraw/zinc/17/46/08/565174608.db2.gz	RVBBDUUBDPKZFR-TZSVQKMJSA-N	1	2	412.486	1.815	1	0	biogenic,in-vitro	HDAFLO
C/C=C1\C[N@@H+]2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@]4(COC(C)=O)C(=O)OC	ZINC000095909252	565174612	/nfs/dbraw/zinc/17/46/12/565174612.db2.gz	RVBBDUUBDPKZFR-TZSVQKMJSA-N	1	2	412.486	1.815	1	0	biogenic,in-vitro	HDAFLO
Nc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[NH2+]CC4)cc32)c(F)c1	ZINC000005933018	132308641	/nfs/dbraw/zinc/30/86/41/132308641.db2.gz	MZRFLZHSPOOCJV-UHFFFAOYSA-N	1	2	400.385	1.959	1	0		HDAFLO
COc1ccccc1N1CC[NH+](CCn2c(=O)c3sccc3n(C)c2=O)CC1	ZINC000000576614	132228698	/nfs/dbraw/zinc/22/86/98/132228698.db2.gz	RJAFAPPHFSKNLW-UHFFFAOYSA-N	1	2	400.504	1.593	1	0		HDAFLO
COc1cc2c[nH+]cc(Cc3nc4c([nH]3)n(CC3CC3)c(=O)n(C)c4=O)c2cc1OC	ZINC000028881982	581099464	/nfs/dbraw/zinc/09/94/64/581099464.db2.gz	VQQYSIDQMSDJSG-UHFFFAOYSA-N	1	2	421.457	1.990	1	0		HDAFLO