smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21	ZINC000005387082	556049552	/nfs/dbraw/zinc/04/95/52/556049552.db2.gz	PMHSWCVRSMQFMZ-UHFFFAOYSA-N	0	0	446.456	0.715	40	10	in-vitro	ICCBRN
COc1ccc(N2CCN(C(=O)CN3CCO[C@]4(C3)CC=CCN(C)C4=O)CC2)cc1	ZINC000019704449	569233237	/nfs/dbraw/zinc/23/32/37/569233237.db2.gz	OBGJKVWROMGYOP-QHCPKHFHSA-N	0	0	428.533	0.833	40	10		ICCBRN
COc1ccc(N2CCN(C(=O)CN3CCO[C@@]4(C3)CC=CCN(C)C4=O)CC2)cc1	ZINC000019704450	569233347	/nfs/dbraw/zinc/23/33/47/569233347.db2.gz	OBGJKVWROMGYOP-HSZRJFAPSA-N	0	0	428.533	0.833	40	10		ICCBRN
Cc1nc2c(n1CCN1CCOCC1)C(=O)c1nc(C)n(CCN3CCOCC3)c1C2=O	ZINC000031937729	556528094	/nfs/dbraw/zinc/52/80/94/556528094.db2.gz	OJFRMLQUGYDHRI-UHFFFAOYSA-N	0	0	442.520	0.136	40	10		ICCBRN
CCOCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000056895991	568786755	/nfs/dbraw/zinc/78/67/55/568786755.db2.gz	OFRZIJGXGHSKKS-UHFFFAOYSA-N	0	0	442.520	0.791	40	10		ICCBRN
CCn1nnc(NC(=S)NC(=O)C=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	ZINC000057316655	557249275	/nfs/dbraw/zinc/24/92/75/557249275.db2.gz	IHEFPTDVRPXADM-GQCTYLIASA-N	0	0	432.466	0.964	40	10		ICCBRN
O=C1C[C@@H]2CCN3C[C@H]2[C@H](O1)[C@H](O)COc1ccc(N2CCOCC2)cc1CNCC3=O	ZINC000077351305	569586625	/nfs/dbraw/zinc/58/66/25/569586625.db2.gz	IZVGRVVOPUEBCN-LONFEIEESA-N	0	0	445.516	0.146	40	10		ICCBRN
CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)[C@H]2O)CC1	ZINC000257317656	568719128	/nfs/dbraw/zinc/71/91/28/568719128.db2.gz	VKQHBBYMQJKNMH-YFVAEKQCSA-N	0	0	427.505	0.342	40	10		ICCBRN
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O	ZINC000408548064	555802791	/nfs/dbraw/zinc/80/27/91/555802791.db2.gz	COBDTTOREZCCGR-CXUHLZMHSA-N	0	0	432.458	0.807	40	10		ICCBRN
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC(N)=O	ZINC000409218564	557012877	/nfs/dbraw/zinc/01/28/77/557012877.db2.gz	GCBBGBMSZBJUDA-UHFFFAOYSA-N	0	0	428.264	0.626	40	10		ICCBRN
COc1ccc(OC)c(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420256	568863398	/nfs/dbraw/zinc/86/33/98/568863398.db2.gz	BKRJPSDYGAQGKK-CVEARBPZSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(OC)c(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420260	568863330	/nfs/dbraw/zinc/86/33/30/568863330.db2.gz	BKRJPSDYGAQGKK-HOTGVXAUSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(OC)c(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420262	568863406	/nfs/dbraw/zinc/86/34/06/568863406.db2.gz	BKRJPSDYGAQGKK-HZPDHXFCSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(OC)c(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420263	568863281	/nfs/dbraw/zinc/86/32/81/568863281.db2.gz	BKRJPSDYGAQGKK-JKSUJKDBSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575426144	568865283	/nfs/dbraw/zinc/86/52/83/568865283.db2.gz	NMKSWOMAXKCGIT-CVEARBPZSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575426145	568865261	/nfs/dbraw/zinc/86/52/61/568865261.db2.gz	NMKSWOMAXKCGIT-HOTGVXAUSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575426146	568865279	/nfs/dbraw/zinc/86/52/79/568865279.db2.gz	NMKSWOMAXKCGIT-HZPDHXFCSA-N	0	0	442.515	0.639	40	10		ICCBRN
COc1ccc(S(=O)(=O)N(c2ccc(N)cc2)[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575426147	568865325	/nfs/dbraw/zinc/86/53/25/568865325.db2.gz	NMKSWOMAXKCGIT-JKSUJKDBSA-N	0	0	442.515	0.639	40	10		ICCBRN
O=C1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)C(=O)C3O)c2C(=O)c2c(O)cc(CO)cc21	ZINC001560407478	1073292012	/nfs/dbraw/zinc/29/20/12/1073292012.db2.gz	DCDIFIFAJCVYJY-QKAVXHIFSA-N	0	0	430.365	0.444	40	10		ICCBRN