smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc2cccnc2nc1N1CCN(c2cccc[nH+]2)CC1	ZINC000028385332	1078181641	/nfs/dbraw/zinc/18/16/41/1078181641.db2.gz	UHYQMSHIOPZJEE-UHFFFAOYSA-N	1	2	316.368	2.223	1	30		DEEFLO
CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc[nH+]c3)[C@@H]2CC1	ZINC000096910783	185390953	/nfs/dbraw/zinc/39/09/53/185390953.db2.gz	ZAVCUGXSKMXEDX-LQEUCBJPSA-N	1	2	314.385	2.329	1	30		DEEFLO
C#CC(=O)Nc1ccc2c(c1)C(=Cc1[nH]c(CC)[nH+]c1C)C(=O)N2	ZINC000072108869	191038187	/nfs/dbraw/zinc/03/81/87/191038187.db2.gz	ORKOHXAJFGRZCL-LCYFTJDESA-N	1	2	320.352	2.345	1	30		DEEFLO
COc1cc(C(=O)/C=C/c2[nH+]ccn2C)cc(OC)c1OC	ZINC000057737399	184050346	/nfs/dbraw/zinc/05/03/46/184050346.db2.gz	QKHQSCZXAOTYIV-AATRIKPKSA-N	1	2	302.330	2.342	1	30		DEEFLO
C#CC[N@@H+](C)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000072182737	191071901	/nfs/dbraw/zinc/07/19/01/191071901.db2.gz	RIBHCJRDJIFWMG-UHFFFAOYSA-N	1	2	316.357	2.432	1	30		DEEFLO
C#CC[N@H+](C)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000072182737	191071903	/nfs/dbraw/zinc/07/19/03/191071903.db2.gz	RIBHCJRDJIFWMG-UHFFFAOYSA-N	1	2	316.357	2.432	1	30		DEEFLO
C=C(C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C)C(=O)OCC	ZINC000006385558	181336279	/nfs/dbraw/zinc/33/62/79/181336279.db2.gz	BGNNXDORPMXXML-LBPRGKRZSA-N	1	2	315.373	2.065	1	30		DEEFLO
C=C(C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C)C(=O)OCC	ZINC000006385558	181336281	/nfs/dbraw/zinc/33/62/81/181336281.db2.gz	BGNNXDORPMXXML-LBPRGKRZSA-N	1	2	315.373	2.065	1	30		DEEFLO
O=[N+]([O-])c1cccnc1N1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000197618119	539722463	/nfs/dbraw/zinc/72/24/63/539722463.db2.gz	LJYNSIUTUVNOQT-UHFFFAOYSA-N	1	2	322.368	2.164	1	30		DEEFLO
NC(N)=[NH+]/N=C/c1c(-c2ccccc2)nc2sc(Cl)cn12	ZINC000073140733	191282328	/nfs/dbraw/zinc/28/23/28/191282328.db2.gz	RKVBISYCPBJKBQ-UBKPWBPPSA-N	1	2	318.793	2.324	1	30		DEEFLO
CC(C)Cc1[nH+]c2cc(CCC(=O)NO)ccc2n1CCCO	ZINC000040393255	183060616	/nfs/dbraw/zinc/06/06/16/183060616.db2.gz	SGAZDZWXGBEXMI-UHFFFAOYSA-N	1	2	319.405	2.055	1	30		DEEFLO
C[C@H]1CCN(C(=O)CC#N)C[C@@H]1c1[nH+]cc2cnc3[nH]ccc3n21	ZINC000073313561	191304013	/nfs/dbraw/zinc/30/40/13/191304013.db2.gz	FHIVNWJIENRJBH-AAEUAGOBSA-N	1	2	322.372	2.076	1	30		DEEFLO
CC(=O)Nc1ccc2c(c1)-c1nc(NC(N)=[NH2+])sc1CS2	ZINC000026988809	182460820	/nfs/dbraw/zinc/46/08/20/182460820.db2.gz	BSAPZXXDUCVUEL-UHFFFAOYSA-N	1	2	319.415	2.279	1	30		DEEFLO
CC(C)c1[nH+]c2cc(/C=C/C(=O)NO)ccc2n1CCCO	ZINC000040402213	183061598	/nfs/dbraw/zinc/06/15/98/183061598.db2.gz	JULWPKHLNCZYBQ-FNORWQNLSA-N	1	2	303.362	2.061	1	30		DEEFLO
C[C@H]1CCN(C(=O)CC#N)C[C@H]1c1[nH+]cc2cnc3[nH]ccc3n21	ZINC000073313569	191303463	/nfs/dbraw/zinc/30/34/63/191303463.db2.gz	FHIVNWJIENRJBH-WCQYABFASA-N	1	2	322.372	2.076	1	30		DEEFLO
C[C@@H]1CCN(C(=O)CC#N)C[C@H]1c1[nH+]cc2cnc3[nH]ccc3n21	ZINC000073313565	191303913	/nfs/dbraw/zinc/30/39/13/191303913.db2.gz	FHIVNWJIENRJBH-DGCLKSJQSA-N	1	2	322.372	2.076	1	30		DEEFLO
COc1ccc(OC)c(C#Cc2cccc3[nH+]c(N)nc(N)c23)c1	ZINC000013740539	181887445	/nfs/dbraw/zinc/88/74/45/181887445.db2.gz	ZWXNKEWDCSTSQI-UHFFFAOYSA-N	1	2	320.352	2.211	1	30		DEEFLO
C=C(C[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C)C(=O)OCC	ZINC000006385559	181336595	/nfs/dbraw/zinc/33/65/95/181336595.db2.gz	BGNNXDORPMXXML-GFCCVEGCSA-N	1	2	315.373	2.065	1	30		DEEFLO
C=C(C[N@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C)C(=O)OCC	ZINC000006385559	181336597	/nfs/dbraw/zinc/33/65/97/181336597.db2.gz	BGNNXDORPMXXML-GFCCVEGCSA-N	1	2	315.373	2.065	1	30		DEEFLO