smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+]1CCN(c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)CC1	ZINC000063540137	136156508	/nfs/dbraw/zinc/15/65/08/136156508.db2.gz	YIAQLLSRXBLMGX-UHFFFAOYSA-N	1	2	377.492	3.251	1	10		GGCFLO
CC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)CC2)cc1	ZINC000096902099	136187592	/nfs/dbraw/zinc/18/75/92/136187592.db2.gz	WILKJMGSGCGPRK-UHFFFAOYSA-N	1	2	392.455	3.332	1	10		GGCFLO
C[N+](C)(C)CCCOc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1	ZINC000027206449	717114708	/nfs/dbraw/zinc/11/47/08/717114708.db2.gz	FCONOAYBLOTJBT-UHFFFAOYSA-O	1	2	386.424	3.052	1	10		GGCFLO
O=c1cc(C[NH2+]Cc2ccccc2Br)oc2ccc(O)c(O)c12	ZINC000071333495	222182999	/nfs/dbraw/zinc/18/29/99/222182999.db2.gz	FSUAJKYDTKUAIF-UHFFFAOYSA-N	1	2	376.206	3.257	1	10		GGCFLO
O=C1c2ccccc2C(=O)C12[C@@H](c1c[nH+]c[nH]1)CC(=O)C[C@H]2c1ccc(O)cc1	ZINC000045256969	205093754	/nfs/dbraw/zinc/09/37/54/205093754.db2.gz	XPCJTIWXGFOXFM-RBUKOAKNSA-N	1	2	386.407	3.411	1	10		GGCFLO
O=C1c2ccccc2C(=O)C12[C@@H](c1c[nH]c[nH+]1)CC(=O)C[C@H]2c1ccc(O)cc1	ZINC000045256969	205093757	/nfs/dbraw/zinc/09/37/57/205093757.db2.gz	XPCJTIWXGFOXFM-RBUKOAKNSA-N	1	2	386.407	3.411	1	10		GGCFLO
Oc1ccc(-n2c(Cc3nn[nH]n3)ccc2-c2ccc(-n3cc[nH+]c3)cc2)cc1	ZINC000068201309	205271466	/nfs/dbraw/zinc/27/14/66/205271466.db2.gz	RVXVILFRTKQJRY-UHFFFAOYSA-N	1	2	383.415	3.140	1	10		GGCFLO
Oc1ccc(-n2c(CCc3nn[nH]n3)ccc2-c2ccc(-n3cc[nH+]c3)cc2)cc1	ZINC000068201299	205271707	/nfs/dbraw/zinc/27/17/07/205271707.db2.gz	HKRGIGIXHDPRJV-UHFFFAOYSA-N	1	2	397.442	3.334	1	10		GGCFLO
COc1cc(C(C)=O)cc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c1O	ZINC000066074091	136164301	/nfs/dbraw/zinc/16/43/01/136164301.db2.gz	RRXYLJQPSNGXFU-UHFFFAOYSA-N	1	2	382.460	3.128	1	10		GGCFLO
O=Cc1ccc([O-])c(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1O	ZINC000014980186	210137762	/nfs/dbraw/zinc/13/77/62/210137762.db2.gz	IGMXJWGYCYRLJZ-UHFFFAOYSA-N	1	2	397.862	3.434	1	10		GGCFLO
O=c1cc(C[NH2+]Cc2ccc(Br)cc2)oc2ccc(O)c(O)c12	ZINC000071331822	211047431	/nfs/dbraw/zinc/04/74/31/211047431.db2.gz	VCYGXQJJERLNSC-UHFFFAOYSA-N	1	2	376.206	3.257	1	10		GGCFLO
O=c1c(O)ccc2oc(C[NH2+]Cc3ccc(Br)cc3)cc(O)c1-2	ZINC000071331822	211047434	/nfs/dbraw/zinc/04/74/34/211047434.db2.gz	VCYGXQJJERLNSC-UHFFFAOYSA-N	1	2	376.206	3.257	1	10		GGCFLO
CC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4ccc(=O)oc43)CC2)cc1	ZINC000029063954	221689467	/nfs/dbraw/zinc/68/94/67/221689467.db2.gz	JRHZZJAZMHONLN-UHFFFAOYSA-N	1	2	378.428	3.023	1	10		GGCFLO
Cc1ccc([S@@](=O)Cc2nc3c(ccc(O)c3Cn3cc[nH+]c3)n2C)cc1	ZINC000064549448	222074024	/nfs/dbraw/zinc/07/40/24/222074024.db2.gz	PLSVFBHBYKAJLR-HHHXNRCGSA-N	1	2	380.473	3.140	1	10		GGCFLO
O=c1c(O)ccc2oc(C[NH2+]Cc3cccc(Br)c3)cc(O)c1-2	ZINC000071341369	222183389	/nfs/dbraw/zinc/18/33/89/222183389.db2.gz	WLWBQGOWQILXDT-UHFFFAOYSA-N	1	2	376.206	3.257	1	10		GGCFLO