smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329015865	203770641	/nfs/dbraw/zinc/77/06/41/203770641.db2.gz	NCWXNYZBJMWKNX-IBGZPJMESA-N	1	2	393.447	4.224	40	5		GIBBLO
O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004966426	570382521	/nfs/dbraw/zinc/38/25/21/570382521.db2.gz	WKMSRYZUUSJCET-UHFFFAOYSA-N	1	2	396.472	4.023	40	5		GIBBLO
S=C(Nc1ccc2cc3ccccc3nc2c1)N1CCN(c2cccc[nH+]2)CC1	ZINC000007098864	817758766	/nfs/dbraw/zinc/75/87/66/817758766.db2.gz	VDDNXXJTXMXRMM-UHFFFAOYSA-N	1	2	399.523	4.302	40	5		GIBBLO
COc1ccccc1N(CC(=O)c1cccc([N+](=O)[O-])c1)C1=[NH+]CCCCC1	ZINC000007276460	206221709	/nfs/dbraw/zinc/22/17/09/206221709.db2.gz	CHRMRDAKUFDPBU-UHFFFAOYSA-N	1	2	381.432	4.265	40	5		GIBBLO
CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)[nH+]1	ZINC000328980005	206239165	/nfs/dbraw/zinc/23/91/65/206239165.db2.gz	GKFOGGKVTKUOGP-UHFFFAOYSA-N	1	2	377.448	4.296	40	5		GIBBLO
CC(C)[C@@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329015866	206241462	/nfs/dbraw/zinc/24/14/62/206241462.db2.gz	NCWXNYZBJMWKNX-LJQANCHMSA-N	1	2	393.447	4.224	40	5		GIBBLO
CC[C@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccccc2)[nH+]1	ZINC000328973715	206240031	/nfs/dbraw/zinc/24/00/31/206240031.db2.gz	FDCSVNKBYMGPJC-AWEZNQCLSA-N	1	2	377.448	4.158	40	5		GIBBLO
Cc1nc(Nc2ccc([NH+](C)C)cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000005276880	570546635	/nfs/dbraw/zinc/54/66/35/570546635.db2.gz	WAXZYIRKSMTSAD-UHFFFAOYSA-N	1	2	378.436	4.271	40	5		GIBBLO
Cc1ccc(NCC[NH+]2CCOCC2)c2c(=O)c3ccc(Cl)cc3sc12	ZINC000004367233	570371455	/nfs/dbraw/zinc/37/14/55/570371455.db2.gz	AQJKNNYJVVYUNH-UHFFFAOYSA-N	1	2	388.920	4.121	40	5		GIBBLO
CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000329029752	209157184	/nfs/dbraw/zinc/15/71/84/209157184.db2.gz	QAUHBXYBXDZVTQ-UHFFFAOYSA-N	1	2	377.448	4.296	40	5		GIBBLO
O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000004966424	220801471	/nfs/dbraw/zinc/80/14/71/220801471.db2.gz	ZBAZLNQERQRDOH-UHFFFAOYSA-N	1	2	396.472	4.023	40	5		GIBBLO
O=[N+]([O-])c1ccc(C[NH+]2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1	ZINC000026416584	570464348	/nfs/dbraw/zinc/46/43/48/570464348.db2.gz	PUWZLNMFMBNDHS-UHFFFAOYSA-N	1	2	398.463	4.180	40	5		GIBBLO
O=[N+]([O-])c1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1	ZINC000026416602	570326709	/nfs/dbraw/zinc/32/67/09/570326709.db2.gz	AAXZYJVJIHOOCH-UHFFFAOYSA-N	1	2	380.473	4.041	40	5		GIBBLO
O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1	ZINC000329071576	212096200	/nfs/dbraw/zinc/09/62/00/212096200.db2.gz	ZRCLXIOXRQPIOV-UHFFFAOYSA-N	1	2	387.871	4.248	40	5		GIBBLO
Cc1noc(C)c1CCNc1ncc2c3[nH+]ccn3c3cc(Cl)ccc3c2n1	ZINC000012143838	221159278	/nfs/dbraw/zinc/15/92/78/221159278.db2.gz	KKLATLMSMYMHMD-UHFFFAOYSA-N	1	2	392.850	4.344	40	5		GIBBLO
CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccccc2)[nH+]1	ZINC000328973718	212090391	/nfs/dbraw/zinc/09/03/91/212090391.db2.gz	FDCSVNKBYMGPJC-CQSZACIVSA-N	1	2	377.448	4.158	40	5		GIBBLO