smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCC[NH2+]Cc1ccccc1	ZINC000001687232	346464663	/nfs/dbraw/zinc/46/46/63/346464663.db2.gz	IQQYKULLKVYXCS-UHFFFAOYSA-N	1	0	247.426	4.917	40	30		BJEBRO
CCCCCCCCCCCC[NH2+]CC	ZINC000001687262	168649573	/nfs/dbraw/zinc/64/95/73/168649573.db2.gz	LWIPGCTWFZCIKX-UHFFFAOYSA-N	1	0	213.409	4.517	40	30		BJEBRO
CCCCCCCCCCCCC[NH2+]C	ZINC000002509152	371560770	/nfs/dbraw/zinc/56/07/70/371560770.db2.gz	XMRPIOZXPHTSCE-UHFFFAOYSA-N	1	0	213.409	4.517	40	30		BJEBRO
CCCCCCCCCCC[NH2+]CCC	ZINC000002509153	188274862	/nfs/dbraw/zinc/27/48/62/188274862.db2.gz	QRPSACOFSBZHOT-UHFFFAOYSA-N	1	0	213.409	4.517	40	30		BJEBRO
CCCCCCCCC[NH2+]CCCCC	ZINC000002509154	168651132	/nfs/dbraw/zinc/65/11/32/168651132.db2.gz	YUIYZUGZYBDVIL-UHFFFAOYSA-N	1	0	213.409	4.517	40	30		BJEBRO
CCCCCCCC[NH2+]CCCCCC	ZINC000002509155	371560981	/nfs/dbraw/zinc/56/09/81/371560981.db2.gz	SKLXFEQHEBALKG-UHFFFAOYSA-N	1	0	213.409	4.517	40	30		BJEBRO
CCCCCCCCC/[NH+]=C/c1ccc(O)cc1	ZINC000003100027	353505547	/nfs/dbraw/zinc/50/55/47/353505547.db2.gz	GPZRNWFSBISZDO-SAPNQHFASA-N	1	0	247.382	4.562	40	30		BJEBRO
C=CC[NH2+]C/C(C)=C\CC1=C(C)CCCC1(C)C	ZINC000003205108	166396977	/nfs/dbraw/zinc/39/69/77/166396977.db2.gz	FZDADOUGQPJGIU-ZROIWOOFSA-N	1	0	247.426	4.625	40	30		BJEBRO
C=CCCC/C=C/C[NH+](CC(C)C)CC(C)C	ZINC000005380476	188051709	/nfs/dbraw/zinc/05/17/09/188051709.db2.gz	YJBDLLUCKUCYPE-ZHACJKMWSA-N	1	0	237.431	4.513	40	30		BJEBRO
C=CCCC/C=C/C[NH+](CCCC)CCCC	ZINC000005419488	188225553	/nfs/dbraw/zinc/22/55/53/188225553.db2.gz	BHAGAKHTNSWRIV-OUKQBFOZSA-N	1	0	237.431	4.801	40	30		BJEBRO
Cc1cccc(/N=C/C=C/c2ccccc2)c1C	ZINC000017024004	384479400	/nfs/dbraw/zinc/47/94/00/384479400.db2.gz	VMXNOIDTGYMKJI-TYUKPDHWSA-N	1	0	235.330	4.719	40	30		BJEBRO
C/C(=[NH+]\[C@H](C)CC(C)C)c1ccc(Cl)cc1	ZINC000017301828	188280341	/nfs/dbraw/zinc/28/03/41/188280341.db2.gz	DRIAUPOMKDASET-VFJWTBQQSA-N	1	0	237.774	4.584	40	30		BJEBRO
C/C(=[NH+]\[C@@H](C)CC(C)C)c1ccc(Cl)cc1	ZINC000017301830	342923314	/nfs/dbraw/zinc/92/33/14/342923314.db2.gz	DRIAUPOMKDASET-NRMVZKHRSA-N	1	0	237.774	4.584	40	30		BJEBRO
CC(C)(/C=C/c1ccccc1)/[NH+]=C/c1ccccc1	ZINC000018178466	384501449	/nfs/dbraw/zinc/50/14/49/384501449.db2.gz	ILRGADQUPUFLFF-MNOJGGAQSA-N	1	0	249.357	4.598	40	30		BJEBRO
CCCCCCCCCCCC[S+](C)C	ZINC000059359855	385045431	/nfs/dbraw/zinc/04/54/31/385045431.db2.gz	NCZFYMIPOHPCCG-UHFFFAOYSA-N	1	0	231.469	4.785	40	30		BJEBRO
CCCCCCCCCC[NH+]1CCCCC1	ZINC000059378196	520020308	/nfs/dbraw/zinc/02/03/08/520020308.db2.gz	GRAKHOCSWNZIPQ-UHFFFAOYSA-N	1	0	225.420	4.613	40	30		BJEBRO
CCCCCCCCCCC[NH+]1CCCC1	ZINC000059663519	520016357	/nfs/dbraw/zinc/01/63/57/520016357.db2.gz	MTJLYMDSVZWNLM-UHFFFAOYSA-N	1	0	225.420	4.613	40	30		BJEBRO
CCCCCCCCCCCC[NH2+]CCC	ZINC000059666050	385051199	/nfs/dbraw/zinc/05/11/99/385051199.db2.gz	CEKFCJBSYYWXGY-UHFFFAOYSA-N	1	0	227.436	4.907	40	30		BJEBRO
CCCCCCCCCCC[NH2+]CCCC	ZINC000100074848	384613950	/nfs/dbraw/zinc/61/39/50/384613950.db2.gz	BNCIDZMEGPXEPT-UHFFFAOYSA-N	1	0	227.436	4.907	40	30		BJEBRO
CCCCCCC[NH+](CCCC)CCCC	ZINC000100075536	384614298	/nfs/dbraw/zinc/61/42/98/384614298.db2.gz	VATIUTJNSBVQMX-UHFFFAOYSA-N	1	0	227.436	4.859	40	30		BJEBRO
CCCCCCC[NH+](C)CCCCCCC	ZINC000100077022	200682075	/nfs/dbraw/zinc/68/20/75/200682075.db2.gz	BXYHQXUPLKMYDE-UHFFFAOYSA-N	1	0	227.436	4.859	40	30		BJEBRO
CCCCCCCCCCCCSCC[NH3+]	ZINC000100077086	384614178	/nfs/dbraw/zinc/61/41/78/384614178.db2.gz	BMYAJQCQJQBMQL-UHFFFAOYSA-N	1	0	245.476	4.599	40	30		BJEBRO
CCCCCCCCCCC[n+]1ccccc1	ZINC000100128176	520018339	/nfs/dbraw/zinc/01/83/39/520018339.db2.gz	ZEADHTIGGVKXDB-UHFFFAOYSA-N	1	0	234.407	4.505	40	30		BJEBRO
C=CCCC/C=C/C[NH2+]CCCCCCCC	ZINC000100923586	219842700	/nfs/dbraw/zinc/84/27/00/219842700.db2.gz	INGPISNRPURSCI-ACCUITESSA-N	1	0	237.431	4.849	40	30		BJEBRO
CCCCCCCCCCC/C=N\[N+](C)(C)C	ZINC000104161311	398323877	/nfs/dbraw/zinc/32/38/77/398323877.db2.gz	SGZZCLYVPZZBSJ-NXVVXOECSA-N	1	0	241.443	4.599	40	30		BJEBRO
CCCCCCCCCCC/C=N/[N+](C)(C)C	ZINC000104161315	398323813	/nfs/dbraw/zinc/32/38/13/398323813.db2.gz	SGZZCLYVPZZBSJ-FOCLMDBBSA-N	1	0	241.443	4.599	40	30		BJEBRO
CC(C)(/C=C\c1ccccc1)/[NH+]=C/c1ccccc1	ZINC000104236267	384816182	/nfs/dbraw/zinc/81/61/82/384816182.db2.gz	ILRGADQUPUFLFF-GCYSJDCNSA-N	1	0	249.357	4.598	40	30		BJEBRO
C/C(=[NH+]/[C@H](C)CC(C)C)c1ccc(Cl)cc1	ZINC000104361646	187302657	/nfs/dbraw/zinc/30/26/57/187302657.db2.gz	DRIAUPOMKDASET-VSORXJBLSA-N	1	0	237.774	4.584	40	30		BJEBRO
C/C(=[NH+]/[C@@H](C)CC(C)C)c1ccc(Cl)cc1	ZINC000104361650	191119592	/nfs/dbraw/zinc/11/95/92/191119592.db2.gz	DRIAUPOMKDASET-SPSOFYIISA-N	1	0	237.774	4.584	40	30		BJEBRO