smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-c1ccccc1	ZINC000003190387	204080861	/nfs/dbraw/zinc/08/08/61/204080861.db2.gz	CPIQQXDAHYCSNQ-UHFFFAOYSA-N	0	2	354.387	4.063	40	5		FIBBLN
O=[N+]([O-])C[C@@H](OCCCCCCCCCCO)C(Cl)(Cl)Cl	ZINC000005501092	204212505	/nfs/dbraw/zinc/21/25/05/204212505.db2.gz	OUWWQCMNINWUPO-GFCCVEGCSA-N	0	2	364.697	4.132	40	5		FIBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)oc1ccccc12	ZINC000223975509	571166379	/nfs/dbraw/zinc/16/63/79/571166379.db2.gz	VHMSMAUNUZRKEN-UHFFFAOYSA-N	0	2	368.370	4.295	40	5		FIBBLN
O=c1nc2n(-c3ccc(C4CCCCC4)cc3)c3ccccc3cc-2c(=O)[nH]1	ZINC000005387717	263341136	/nfs/dbraw/zinc/34/11/36/263341136.db2.gz	BYABNLOAYSFCIQ-UHFFFAOYSA-N	0	2	371.440	4.227	40	5		FIBBLN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1	ZINC000014257153	570522263	/nfs/dbraw/zinc/52/22/63/570522263.db2.gz	OZOFTLFKRSARFN-UHFFFAOYSA-N	0	2	370.386	4.188	40	5		FIBBLN
O=[N+]([O-])c1cc(CNc2ccc(Br)c(Cl)c2)ccc1O	ZINC000408555740	570567856	/nfs/dbraw/zinc/56/78/56/570567856.db2.gz	IEBCXQRMCBJYQQ-UHFFFAOYSA-N	0	2	357.591	4.328	40	5		FIBBLN
O=C1c2ccc([N+](=O)[O-])c3cccc(c23)C(O)=C1c1ccc2ccccc2n1	ZINC000101463336	209226223	/nfs/dbraw/zinc/22/62/23/209226223.db2.gz	WTAFWRUEGFTZDX-FQEVSTJZSA-N	0	2	368.348	4.459	40	5		FIBBLN
O=C([O-])CCCCCNc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)[nH+]c2c1	ZINC000045206851	570906601	/nfs/dbraw/zinc/90/66/01/570906601.db2.gz	LDJDKAOYAFJLCK-UHFFFAOYSA-N	0	2	368.393	4.195	40	5		FIBBLN
O=C1c2ccc([N+](=O)[O-])c3cccc(c23)C(O)=C1c1ccc2ccccc2n1	ZINC000101463333	222275600	/nfs/dbraw/zinc/27/56/00/222275600.db2.gz	WTAFWRUEGFTZDX-HXUWFJFHSA-N	0	2	368.348	4.459	40	5		FIBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000005260268	570639956	/nfs/dbraw/zinc/63/99/56/570639956.db2.gz	YVVAWTAPBBEGJH-UHFFFAOYSA-N	0	2	370.386	4.188	40	5		FIBBLN
COc1ccc(NC(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000006398346	571183465	/nfs/dbraw/zinc/18/34/65/571183465.db2.gz	BAWDLCJRSAXGJM-UHFFFAOYSA-N	0	2	365.392	4.001	40	5		FIBBLN
O=[N+]([O-])C[C@H](OCCCCCCCCCCO)C(Cl)(Cl)Cl	ZINC000005437248	570655413	/nfs/dbraw/zinc/65/54/13/570655413.db2.gz	OUWWQCMNINWUPO-LBPRGKRZSA-N	0	2	364.697	4.132	40	5		FIBBLN
Cc1nc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc12	ZINC000021005845	220348058	/nfs/dbraw/zinc/34/80/58/220348058.db2.gz	ZJBUXOBFQDXXTA-UHFFFAOYSA-N	0	2	358.361	4.047	40	5		FIBBLN
O=[N+]([O-])c1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1O	ZINC000059474658	571357339	/nfs/dbraw/zinc/35/73/39/571357339.db2.gz	PRHWXOODYXOKBL-UHFFFAOYSA-N	0	2	361.401	4.326	40	5		FIBBLN