smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000008584440	204280340	/nfs/dbraw/zinc/28/03/40/204280340.db2.gz	RTXOFQZKPXMALH-HWQDRANHSA-N	-2	1	395.422	-0.172	40	30		GBEBML
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000014768518	570574137	/nfs/dbraw/zinc/57/41/37/570574137.db2.gz	RTXOFQZKPXMALH-GZPQMAAYSA-N	-2	1	395.422	-0.172	40	30		GBEBML
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@@H]2SC1	ZINC000014768522	570574209	/nfs/dbraw/zinc/57/42/09/570574209.db2.gz	RTXOFQZKPXMALH-HBNYPJHTSA-N	-2	1	395.422	-0.172	40	30		GBEBML
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C([O-])[C@H](O)[C@H](O)CO	ZINC000016384602	570912834	/nfs/dbraw/zinc/91/28/34/570912834.db2.gz	UBDKXPAVOKUBAO-FBCVIKKGSA-N	-2	1	397.262	-0.459	40	30		GBEBML
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C([O-])[C@H](O)[C@@H](O)CO	ZINC000016384605	570912780	/nfs/dbraw/zinc/91/27/80/570912780.db2.gz	UBDKXPAVOKUBAO-BYJCRFLISA-N	-2	1	397.262	-0.459	40	30		GBEBML
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C([O-])[C@@H](O)[C@H](O)CO	ZINC000016384608	570912922	/nfs/dbraw/zinc/91/29/22/570912922.db2.gz	UBDKXPAVOKUBAO-PZXKOSHMSA-N	-2	1	397.262	-0.459	40	30		GBEBML
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C([O-])[C@@H](O)[C@@H](O)CO	ZINC000016384611	570912670	/nfs/dbraw/zinc/91/26/70/570912670.db2.gz	UBDKXPAVOKUBAO-ZNKMVTFISA-N	-2	1	397.262	-0.459	40	30		GBEBML
COc1cc(OC)nc(NC(=O)N=S(=O)([O-])c2c(C(=O)[O-])cnn2C)n1	ZINC000031334241	207382631	/nfs/dbraw/zinc/38/26/31/207382631.db2.gz	VXMNDQDDWDDKOQ-UHFFFAOYSA-N	-2	1	386.346	-0.360	40	30	in-vitro	GBEBML
COc1cc(OC)nc(NC([O-])=NS(=O)(=O)c2c(C(=O)[O-])cnn2C)n1	ZINC000031334241	207382623	/nfs/dbraw/zinc/38/26/23/207382623.db2.gz	VXMNDQDDWDDKOQ-UHFFFAOYSA-N	-2	1	386.346	-0.360	40	30	in-vitro	GBEBML
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)n3)[C@H]2SC1	ZINC000033940339	570574303	/nfs/dbraw/zinc/57/43/03/570574303.db2.gz	RTXOFQZKPXMALH-ZPDFADLTSA-N	-2	1	395.422	-0.172	40	30		GBEBML
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C([O-])[C@H](O)[C@H](O)CO	ZINC000035193483	570366640	/nfs/dbraw/zinc/36/66/40/570366640.db2.gz	UBDKXPAVOKUBAO-YENTVNKMSA-N	-2	1	397.262	-0.459	40	30		GBEBML
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])=C([O-])[C@@H](O)[C@H](O)CO	ZINC000035193485	570366774	/nfs/dbraw/zinc/36/67/74/570366774.db2.gz	UBDKXPAVOKUBAO-SXCRKEAUSA-N	-2	1	397.262	-0.459	40	30		GBEBML