smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1	ZINC000036316209	569762398	/nfs/dbraw/zinc/76/23/98/569762398.db2.gz	DKGZNLFVOSXWOX-AREMUKBSSA-N	0	1	481.596	4.892	10	30		JJEEMN
N=C(NOC(=O)COc1cccc(Cl)c1Cl)c1ccc(OCc2ccc(F)cc2)cc1	ZINC000020429023	526809457	/nfs/dbraw/zinc/80/94/57/526809457.db2.gz	HRPSURCTYWHAJP-UHFFFAOYSA-N	0	1	463.292	4.954	10	30		JJEEMN
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1=O	ZINC000011909034	519340811	/nfs/dbraw/zinc/34/08/11/519340811.db2.gz	IMUGQZNLFAXEMQ-HKBQPEDESA-N	0	1	495.623	4.704	10	30		JJEEMN
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1=O	ZINC000011909035	519343356	/nfs/dbraw/zinc/34/33/56/519343356.db2.gz	IMUGQZNLFAXEMQ-WJOKGBTCSA-N	0	1	495.623	4.704	10	30		JJEEMN
C[C@H](Oc1cccc(Br)c1)C(=O)ONC(=N)c1ccc(OCc2ccccc2F)cc1	ZINC000020312443	525941500	/nfs/dbraw/zinc/94/15/00/525941500.db2.gz	CZKASIUVLWOGJR-HNNXBMFYSA-N	0	1	487.325	4.798	10	30		JJEEMN
C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036306939	518715550	/nfs/dbraw/zinc/71/55/50/518715550.db2.gz	LBJAHDXXYFMFTE-JOCHJYFZSA-N	0	1	453.558	4.794	10	30		JJEEMN
COc1ccc(N2CC[NH+](Cc3c4c(c(C)cc3[O-])C(=O)/C(=C/c3cccs3)O4)CC2)cc1	ZINC000041585686	524426902	/nfs/dbraw/zinc/42/69/02/524426902.db2.gz	FKLDHMNXQWADLX-HAHDFKILSA-N	0	1	462.571	4.709	10	30		JJEEMN
C=CCC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1	ZINC000036306942	518723118	/nfs/dbraw/zinc/72/31/18/518723118.db2.gz	LBJAHDXXYFMFTE-QFIPXVFZSA-N	0	1	453.558	4.794	10	30		JJEEMN
C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1	ZINC000036316208	569762404	/nfs/dbraw/zinc/76/24/04/569762404.db2.gz	DKGZNLFVOSXWOX-SANMLTNESA-N	0	1	481.596	4.892	10	30		JJEEMN
CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)S/C1=N/c1ccc(OCC)cc1	ZINC000033293847	521698457	/nfs/dbraw/zinc/69/84/57/521698457.db2.gz	XLYSTHUOZSBKMB-GTXWLNMASA-N	0	1	457.508	4.722	10	30		JJEEMN
Cn1cnnc1Sc1ccc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-]	ZINC000009562682	527530514	/nfs/dbraw/zinc/53/05/14/527530514.db2.gz	OKYZFZMCRWGWTP-KPSZGOFPSA-N	0	1	458.718	4.676	10	30		JJEEMN
C[C@@H](Oc1cccc(Br)c1)C(=O)ONC(=N)c1ccc(OCc2ccccc2F)cc1	ZINC000020312437	555769857	/nfs/dbraw/zinc/76/98/57/555769857.db2.gz	CZKASIUVLWOGJR-OAHLLOKOSA-N	0	1	487.325	4.798	10	30		JJEEMN
CC(C)Cc1c(C#N)c(N)nc(SCCCN2CCN(c3cccc(Cl)c3)CC2)c1C#N	ZINC000020468762	519426100	/nfs/dbraw/zinc/42/61/00/519426100.db2.gz	NKWYJKTYVKKNLL-UHFFFAOYSA-N	0	1	469.058	4.563	10	30		JJEEMN