smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C[C@H](O)COP(=O)([O-])[O-]	ZINC000138038646	717151426	/nfs/dbraw/zinc/15/14/26/717151426.db2.gz	BHRCNJVUAZKCMO-IBGZPJMESA-O	-1	0	439.554	2.960	10	30		IFEERM
O=C([O-])CSC1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1=O	ZINC000008857567	527621498	/nfs/dbraw/zinc/62/14/98/527621498.db2.gz	HCJNFQBEJHZCCN-XDJHFCHBSA-N	-1	0	432.435	2.671	10	30		IFEERM
CN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1ccc2c(c1)OCO2	ZINC000083316740	523699204	/nfs/dbraw/zinc/69/92/04/523699204.db2.gz	UMKYCUOAYXBDLT-JDAKFOBDSA-N	-1	0	427.438	2.704	10	30		IFEERM
O=C([O-])c1cccc(NC(=O)[C@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000022001720	526392197	/nfs/dbraw/zinc/39/21/97/526392197.db2.gz	RTQKWWOSWDCUMA-DLBZAZTESA-N	-1	0	445.453	2.941	10	30		IFEERM
COCCCC/C(=N\OCC[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000044699804	523087436	/nfs/dbraw/zinc/08/74/36/523087436.db2.gz	NAYFERHDYLITGX-WTJYETQFSA-N	-1	0	434.411	2.760	10	30	in-vitro	IFEERM
COCCCC/C(=N/OCC[NH2+][C@H](CC(=O)[O-])C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000090556081	523088482	/nfs/dbraw/zinc/08/84/82/523088482.db2.gz	NAYFERHDYLITGX-OYJNRBEISA-N	-1	0	434.411	2.760	10	30		IFEERM
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc2c(c1)OCO2	ZINC000102652258	523700419	/nfs/dbraw/zinc/70/04/19/523700419.db2.gz	QYRPXRHAIRCBBG-JDAKFOBDSA-N	-1	0	427.438	2.704	10	30		IFEERM
C=CCCOc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)cc1OC	ZINC000034767471	555907121	/nfs/dbraw/zinc/90/71/21/555907121.db2.gz	GQOFYLSROBEQPS-UHFFFAOYSA-N	-1	0	435.484	2.852	10	30		IFEERM
Cc1ccc(S(=O)(=O)OCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1C(=O)[O-]	ZINC000226858573	556685574	/nfs/dbraw/zinc/68/55/74/556685574.db2.gz	ZRZHXBOYLCRUOO-UHFFFAOYSA-N	-1	0	439.445	2.848	10	30		IFEERM
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C[C@@H](O)COP(=O)([O-])[O-]	ZINC000138038747	717151358	/nfs/dbraw/zinc/15/13/58/717151358.db2.gz	BHRCNJVUAZKCMO-LJQANCHMSA-O	-1	0	439.554	2.960	10	30		IFEERM
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)[O-])O1	ZINC000022054015	520612653	/nfs/dbraw/zinc/61/26/53/520612653.db2.gz	WSNWGUDQZFLDGP-DGGKRYAMSA-N	-1	0	448.487	2.511	10	30	in-vitro	IFEERM
COCCCC/C(=N\OCC[NH2+][C@H](CC(=O)[O-])C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000044699806	523088140	/nfs/dbraw/zinc/08/81/40/523088140.db2.gz	NAYFERHDYLITGX-DTVDJLOLSA-N	-1	0	434.411	2.760	10	30	in-vitro	IFEERM
CN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)S/C1=N/c1ccc2c(c1)OCO2	ZINC000083316738	523707425	/nfs/dbraw/zinc/70/74/25/523707425.db2.gz	UMKYCUOAYXBDLT-UMIVRTMYSA-N	-1	0	427.438	2.704	10	30		IFEERM
O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000022001716	526392208	/nfs/dbraw/zinc/39/22/08/526392208.db2.gz	RTQKWWOSWDCUMA-SJORKVTESA-N	-1	0	445.453	2.941	10	30		IFEERM
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OS(=O)(=O)[O-])c(OC)c2)ccc1O	ZINC000011524418	560211335	/nfs/dbraw/zinc/21/13/35/560211335.db2.gz	NEJVQQBBTRFOHB-FCXRPNKRSA-N	-1	0	448.449	2.846	10	30	in-vitro	IFEERM
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]2(O)CCC(=O)[O-])[C@H]13	ZINC000022058340	523671829	/nfs/dbraw/zinc/67/18/29/523671829.db2.gz	XNSDIIWFWKXZBT-VWBFHTRKSA-N	-1	0	432.513	2.645	10	30	in-vitro	IFEERM
O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000022001718	526392487	/nfs/dbraw/zinc/39/24/87/526392487.db2.gz	RTQKWWOSWDCUMA-IAGOWNOFSA-N	-1	0	445.453	2.941	10	30		IFEERM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)OCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000226857595	556685567	/nfs/dbraw/zinc/68/55/67/556685567.db2.gz	ZCBHUXQDOZXCAA-UHFFFAOYSA-N	-1	0	439.445	2.848	10	30		IFEERM
O=C([N-]S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1	ZINC000016476760	527160760	/nfs/dbraw/zinc/16/07/60/527160760.db2.gz	FMYLUYKZDRCHHH-UHFFFAOYSA-N	-1	0	441.490	2.941	10	30		IFEERM
COCCCC/C(=N/OCC[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000090556080	523088949	/nfs/dbraw/zinc/08/89/49/523088949.db2.gz	NAYFERHDYLITGX-PHQOBFFQSA-N	-1	0	434.411	2.760	10	30		IFEERM