smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](Cc3ccccc3O)C4)nc12	ZINC000020472138	524920560	/nfs/dbraw/zinc/92/05/60/524920560.db2.gz	DCDCTBJNWMGETD-UHFFFAOYSA-N	1	1	486.568	5.336	10	10		JKCEMO
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033367406	526090462	/nfs/dbraw/zinc/09/04/62/526090462.db2.gz	RGKOOMATFPFUFD-PDGQHHTCSA-N	1	1	450.951	5.123	10	10		JKCEMO
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@H](O)C[NH+]4CCCCC4)cc3)c2c1	ZINC000004429913	525682454	/nfs/dbraw/zinc/68/24/54/525682454.db2.gz	KQNNYPMVCGKORT-AREMUKBSSA-N	1	1	461.993	6.313	10	10		JKCEMO
CC(C)(C)c1ccc(/C=C2/SC(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1	ZINC000033352718	519010824	/nfs/dbraw/zinc/01/08/24/519010824.db2.gz	SVOLLABOKAVYIM-HPNDGRJYSA-N	1	1	495.692	6.362	10	10		JKCEMO
COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(O)c1	ZINC000023338341	556047129	/nfs/dbraw/zinc/04/71/29/556047129.db2.gz	QETRRYGLZNEEHC-QHCPKHFHSA-N	1	1	466.585	5.608	10	10		JKCEMO
Cc1ccc(O)c(CN(CC[N@@H+](Cc2ccccc2)Cc2cc(C)ccc2O)Cc2ccccc2)c1	ZINC000048564660	569846687	/nfs/dbraw/zinc/84/66/87/569846687.db2.gz	JAOKUVCQKZLIOE-UHFFFAOYSA-N	1	1	480.652	6.419	10	10		JKCEMO
COC(=O)C1(C)CC[NH+](c2ccc(-n3c(-c4ccc(F)cc4)cc4c3CCCCC4)cc2)CC1	ZINC000085347857	569709841	/nfs/dbraw/zinc/70/98/41/569709841.db2.gz	ZXOZPADKGLJIOK-UHFFFAOYSA-N	1	1	460.593	6.332	10	10		JKCEMO
CCOc1ccccc1-n1c(C)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1-c1ccccc1	ZINC000016531692	521444652	/nfs/dbraw/zinc/44/46/52/521444652.db2.gz	ZZNUYXIRAXXTOG-UHFFFAOYSA-N	1	1	479.624	5.809	10	10		JKCEMO
COc1ccc(O)c(C[N@H+]2CCOc3c(cc(-c4cc(C)c5cccc(OC)c5n4)cc3OC)C2)c1	ZINC000014995300	524746840	/nfs/dbraw/zinc/74/68/40/524746840.db2.gz	FYJJAHATISQEAK-UHFFFAOYSA-N	1	1	486.568	5.336	10	10		JKCEMO
Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033315758	526090259	/nfs/dbraw/zinc/09/02/59/526090259.db2.gz	KZSCJUNMYZPGMW-WJDWOHSUSA-N	1	1	471.369	5.468	10	10		JKCEMO
COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(O)c1	ZINC000023338339	556047309	/nfs/dbraw/zinc/04/73/09/556047309.db2.gz	QETRRYGLZNEEHC-HSZRJFAPSA-N	1	1	466.585	5.608	10	10		JKCEMO