smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC(=S)Nc1ccccc1S)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000408622420	231084189	/nfs/dbraw/zinc/08/41/89/231084189.db2.gz	PGTYGXDXZGBLIM-UHFFFAOYSA-N	0	2	399.453	4.270	40	5		GIBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(OCCc2ccccc2)c1	ZINC000223643547	206004960	/nfs/dbraw/zinc/00/49/60/206004960.db2.gz	DGCAVJACADRUQR-UHFFFAOYSA-N	0	2	398.440	4.017	40	5		GIBBLN
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Cl)cc1	ZINC000409195874	534824078	/nfs/dbraw/zinc/82/40/78/534824078.db2.gz	WSZGFMHPPMDVTC-MDWZMJQESA-N	0	2	376.777	4.195	40	5		GIBBLN
COc1cc2nc3cc(Cl)ccc3nc2c(NS(=O)(=O)c2ccccc2)c1	ZINC000005485954	204135774	/nfs/dbraw/zinc/13/57/74/204135774.db2.gz	HAPBQOGBOVGGOS-UHFFFAOYSA-N	0	2	399.859	4.246	40	5		GIBBLN
O=C(O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccc(Cl)c(Cl)c1	ZINC000008602771	204280937	/nfs/dbraw/zinc/28/09/37/204280937.db2.gz	PKISKXZVORFKOH-MRVPVSSYSA-N	0	2	381.426	4.166	40	5		GIBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000014221159	570880461	/nfs/dbraw/zinc/88/04/61/570880461.db2.gz	BZMQBBMNEXUHTR-UHFFFAOYSA-N	0	2	380.731	4.068	40	5		GIBBLN
O=C1S/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1c1cccc(Cl)c1	ZINC000409201648	534823761	/nfs/dbraw/zinc/82/37/61/534823761.db2.gz	NHPNHMSHULBEQP-NTUHNPAUSA-N	0	2	376.777	4.195	40	5		GIBBLN
O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl	ZINC000106682806	534824491	/nfs/dbraw/zinc/82/44/91/534824491.db2.gz	HQGPHTHKCNSWAW-NVNXTCNLSA-N	0	2	390.804	4.190	40	5		GIBBLN
COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000005940978	817631654	/nfs/dbraw/zinc/63/16/54/817631654.db2.gz	MPDGRHIJFHGYPL-UHFFFAOYSA-N	0	2	384.413	4.071	40	5		GIBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OCc3ccc(Cl)cc3)c2)[nH]1	ZINC000409316060	231189927	/nfs/dbraw/zinc/18/99/27/231189927.db2.gz	KVNMGNHOFOHZAL-TWGQIWQCSA-N	0	2	399.790	4.199	40	5		GIBBLN
O=C1Nc2ccccc2S/C1=C\c1cc(Br)cc([N+](=O)[O-])c1O	ZINC000409107385	534804149	/nfs/dbraw/zinc/80/41/49/534804149.db2.gz	RLBFALAINGRDCH-MLPAPPSSSA-N	0	2	393.218	4.148	40	5		GIBBLN
CCOc1ccc(Nc2nc(NNc3ccccc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005393482	570576025	/nfs/dbraw/zinc/57/60/25/570576025.db2.gz	VOHYZVXRNVLRME-UHFFFAOYSA-N	0	2	380.408	4.275	40	5		GIBBLN
O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cccc(Cl)c1	ZINC000409214318	534821947	/nfs/dbraw/zinc/82/19/47/534821947.db2.gz	SKWSYMSXWJSPEO-VGOFMYFVSA-N	0	2	376.777	4.195	40	5		GIBBLN
O=C1S/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1	ZINC000408817679	534824035	/nfs/dbraw/zinc/82/40/35/534824035.db2.gz	YFPSBPHVRCOQBA-QPEQYQDCSA-N	0	2	376.777	4.195	40	5		GIBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccccc2Cl)[nH]1	ZINC000409303085	231189286	/nfs/dbraw/zinc/18/92/86/231189286.db2.gz	LIXBLFRPUQRLFS-KTKRTIGZSA-N	0	2	399.790	4.199	40	5		GIBBLN
O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000016427947	210188169	/nfs/dbraw/zinc/18/81/69/210188169.db2.gz	OKFFFRNCOPUZDG-ZSOIEALJSA-N	0	2	376.777	4.195	40	5		GIBBLN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccccc2)cc1	ZINC000034920773	570809771	/nfs/dbraw/zinc/80/97/71/570809771.db2.gz	MHLPYBJVSVWXEZ-UHFFFAOYSA-N	0	2	393.424	4.094	40	5		GIBBLN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1	ZINC000007363407	817824735	/nfs/dbraw/zinc/82/47/35/817824735.db2.gz	LTCBRXFPFLQDGY-UHFFFAOYSA-N	0	2	384.413	4.496	40	5		GIBBLN
O=C(O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccc(Cl)c(Cl)c1	ZINC000001672914	212254315	/nfs/dbraw/zinc/25/43/15/212254315.db2.gz	PKISKXZVORFKOH-QMMMGPOBSA-N	0	2	381.426	4.166	40	5		GIBBLN
O=[N+]([O-])c1ccc2c(c1)Cc1c-2cc(Br)c(O)c1Br	ZINC000001592605	212251074	/nfs/dbraw/zinc/25/10/74/212251074.db2.gz	QPLUCUVSAFPXOA-UHFFFAOYSA-N	0	2	385.011	4.397	40	5		GIBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OCc3ccccc3Cl)c2)[nH]1	ZINC000409335552	231191928	/nfs/dbraw/zinc/19/19/28/231191928.db2.gz	OXELHFYXIHDKMW-HJWRWDBZSA-N	0	2	399.790	4.199	40	5		GIBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccc(Cl)cc2)[nH]1	ZINC000409315122	231189670	/nfs/dbraw/zinc/18/96/70/231189670.db2.gz	IHTIQOPXFDKFHW-YFHOEESVSA-N	0	2	399.790	4.199	40	5		GIBBLN
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000005003325	570652690	/nfs/dbraw/zinc/65/26/90/570652690.db2.gz	LZZFNLUTYYAFKA-UHFFFAOYSA-N	0	2	381.624	4.356	40	5		GIBBLN
O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccc(Cl)cc1	ZINC000409188136	534822441	/nfs/dbraw/zinc/82/24/41/534822441.db2.gz	AZBLYRCCNCCICU-RIYZIHGNSA-N	0	2	376.777	4.195	40	5		GIBBLN
CC1(C)C[C@H](C(=O)CCC(=O)[O-])[C@H]1CCc1c[nH]c(-c2cccc([N+](=O)[O-])c2)[nH+]1	ZINC000585292596	570261925	/nfs/dbraw/zinc/26/19/25/570261925.db2.gz	LAGLRPSGAKXGMW-DLBZAZTESA-N	0	2	399.447	4.014	40	5		GIBBLN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1	ZINC000007405707	570837274	/nfs/dbraw/zinc/83/72/74/570837274.db2.gz	MOQYAASVHOJYRV-UHFFFAOYSA-N	0	2	380.731	4.068	40	5		GIBBLN