smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2c1	ZINC000105331230	534372920	/nfs/dbraw/zinc/37/29/20/534372920.db2.gz	FOYGEQITFDUTSM-LJQANCHMSA-N	0	3	392.415	2.849	40	5		GFBBHN
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1[N+](=O)[O-]	ZINC000017077347	570926126	/nfs/dbraw/zinc/92/61/26/570926126.db2.gz	VNZCAJPIUNJFFG-INIZCTEOSA-N	0	3	378.388	2.540	40	5		GFBBHN
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1	ZINC000176374799	570430510	/nfs/dbraw/zinc/43/05/10/570430510.db2.gz	VQWXJZUEIHTJSA-UHFFFAOYSA-N	0	3	375.450	2.669	40	5		GFBBHN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O	ZINC000101319456	231010487	/nfs/dbraw/zinc/01/04/87/231010487.db2.gz	DGOKSOVNQAFOMO-SFHVURJKSA-N	0	3	392.415	2.849	40	5		GFBBHN
O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000014671966	570321332	/nfs/dbraw/zinc/32/13/32/570321332.db2.gz	LCUYYPCBDKOEBJ-GOSISDBHSA-N	0	3	378.388	2.540	40	5		GFBBHN
O=[N+]([O-])c1ccc(N2NC3(CCN(Cc4ccccc4)CC3)NC2=S)cc1	ZINC000225350070	206043428	/nfs/dbraw/zinc/04/34/28/206043428.db2.gz	VIDDIWHDNPMQGZ-UHFFFAOYSA-N	0	3	383.477	2.786	40	5		GFBBHN
CCOC(=O)[C@H]([C@H](c1ccccc1)C(C)[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000248217214	570449992	/nfs/dbraw/zinc/44/99/92/570449992.db2.gz	GRMUHTAJPCWLEF-WBAXXEDZSA-N	0	3	391.445	2.841	40	5		GFBBHN
CCOC(=O)[C@H]([C@H](c1ccccc1)C(C)[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000005247530	570731645	/nfs/dbraw/zinc/73/16/45/570731645.db2.gz	GRMUHTAJPCWLEF-JLSDUUJJSA-N	0	3	391.445	2.841	40	5		GFBBHN
Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)c1	ZINC000020154326	207180755	/nfs/dbraw/zinc/18/07/55/207180755.db2.gz	QHPLQHNJWJKTOD-UHFFFAOYSA-N	0	3	384.436	2.639	40	5		GFBBHN
O=C(O[C@H]1CN2CCC1CC2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000020436446	207190963	/nfs/dbraw/zinc/19/09/63/207190963.db2.gz	BAJJGCSBDKBRIY-KRWDZBQOSA-N	0	3	394.859	2.601	40	5		GFBBHN
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000101319306	231010472	/nfs/dbraw/zinc/01/04/72/231010472.db2.gz	SXEAYFJKNXYJAB-SFHVURJKSA-N	0	3	378.388	2.540	40	5		GFBBHN
CCN(CC)CCn1ncc(Sc2cc([N+](=O)[O-])ccc2N)c(Cl)c1=O	ZINC000005499405	570442966	/nfs/dbraw/zinc/44/29/66/570442966.db2.gz	BLQMUCHBUHZSAH-UHFFFAOYSA-N	0	3	397.888	2.880	40	5		GFBBHN
O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000014671970	570320869	/nfs/dbraw/zinc/32/08/69/570320869.db2.gz	SXEAYFJKNXYJAB-GOSISDBHSA-N	0	3	378.388	2.540	40	5		GFBBHN
O=[N+]([O-])c1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Br	ZINC000409343572	231193121	/nfs/dbraw/zinc/19/31/21/231193121.db2.gz	DYDZRUBQUMASOB-DUXPYHPUSA-N	0	3	383.114	2.637	40	5		GFBBHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(C[NH+]2CCCC2)c1	ZINC000224608982	206023783	/nfs/dbraw/zinc/02/37/83/206023783.db2.gz	BPFRPWHOKHIFHL-UHFFFAOYSA-N	0	3	375.450	2.669	40	5		GFBBHN
O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1[N+](=O)[O-]	ZINC000104015317	231015468	/nfs/dbraw/zinc/01/54/68/231015468.db2.gz	VNZCAJPIUNJFFG-MRXNPFEDSA-N	0	3	378.388	2.540	40	5		GFBBHN
Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1[N+](=O)[O-]	ZINC000038613520	230926738	/nfs/dbraw/zinc/92/67/38/230926738.db2.gz	IMPLQOLSCHQNEI-SFHVURJKSA-N	0	3	392.415	2.849	40	5		GFBBHN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1CN1CCCC1	ZINC000031075267	207379662	/nfs/dbraw/zinc/37/96/62/207379662.db2.gz	SXODCLYVPAPXFD-UHFFFAOYSA-N	0	3	389.477	2.978	40	5		GFBBHN
Cc1c(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cccc1[N+](=O)[O-]	ZINC000328980822	206238753	/nfs/dbraw/zinc/23/87/53/206238753.db2.gz	GPUVTHGVPPDQCM-UHFFFAOYSA-N	0	3	392.463	2.921	40	5		GFBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(Br)o1	ZINC000020154207	551115619	/nfs/dbraw/zinc/11/56/19/551115619.db2.gz	TUZJBKRFNZMWEP-UHFFFAOYSA-N	0	3	395.213	2.612	40	5		GFBBHN
CCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001565811	209332455	/nfs/dbraw/zinc/33/24/55/209332455.db2.gz	HLDJRGGYFRAJEN-UHFFFAOYSA-N	0	3	391.449	2.756	40	5		GFBBHN
CCOC(=O)[C@H]([C@@H](c1ccccc1)C(C)[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000005247529	570524071	/nfs/dbraw/zinc/52/40/71/570524071.db2.gz	GRMUHTAJPCWLEF-OLMNPRSZSA-N	0	3	391.445	2.841	40	5		GFBBHN
CCOC(=O)[C@@H]([C@H](c1ccccc1)C(C)[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000005247487	570731722	/nfs/dbraw/zinc/73/17/22/570731722.db2.gz	GRMUHTAJPCWLEF-FHLIZLRMSA-N	0	3	391.445	2.841	40	5		GFBBHN
CCOC(=O)[C@H]([C@@H](c1ccccc1)C(C)[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000248217213	570450128	/nfs/dbraw/zinc/45/01/28/570450128.db2.gz	GRMUHTAJPCWLEF-QGTPRVQTSA-N	0	3	391.445	2.841	40	5		GFBBHN
O=C(O[C@@H]1CN2CCC1CC2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000020436442	210333459	/nfs/dbraw/zinc/33/34/59/210333459.db2.gz	BAJJGCSBDKBRIY-QGZVFWFLSA-N	0	3	394.859	2.601	40	5		GFBBHN
CN(C)CCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O	ZINC000040398826	570602494	/nfs/dbraw/zinc/60/24/94/570602494.db2.gz	QTEJEUWOSTVPHO-UHFFFAOYSA-N	0	3	388.471	2.516	40	5		GFBBHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCC2)cc1	ZINC000015335979	221335328	/nfs/dbraw/zinc/33/53/28/221335328.db2.gz	IZEMQVAPRFCYMN-UHFFFAOYSA-N	0	3	375.450	2.669	40	5		GFBBHN
Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2c1	ZINC000017080107	570927062	/nfs/dbraw/zinc/92/70/62/570927062.db2.gz	FOYGEQITFDUTSM-IBGZPJMESA-N	0	3	392.415	2.849	40	5		GFBBHN
O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000101319302	231010478	/nfs/dbraw/zinc/01/04/78/231010478.db2.gz	LCUYYPCBDKOEBJ-SFHVURJKSA-N	0	3	378.388	2.540	40	5		GFBBHN