smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC/C(C)=[NH+]/[C@@H](C)CC(C)C	ZINC000001675058	342708379	/nfs/dbraw/zinc/70/83/79/342708379.db2.gz	FHLCDLBIZLWYOB-IDTYTIONSA-N	1	0	225.420	5.242	40	30		BKEBRO
CCCCCCC/C(C)=[NH+]/[C@H](C)CC(C)C	ZINC000002047950	342715583	/nfs/dbraw/zinc/71/55/83/342715583.db2.gz	FHLCDLBIZLWYOB-DPEHCCBOSA-N	1	0	225.420	5.242	40	30		BKEBRO
CCCCCCCCCC[NH2+]C1CCCCC1	ZINC000002509150	388838534	/nfs/dbraw/zinc/83/85/34/388838534.db2.gz	QWIJFXJAUNKXGB-UHFFFAOYSA-N	1	0	239.447	5.049	40	30		BKEBRO
CC1=C/C(=[NH+]/c2ccc(Cl)cc2)CC(C)(C)C1	ZINC000017301419	168090344	/nfs/dbraw/zinc/09/03/44/168090344.db2.gz	HCIPAEBEZJWMDW-VKAVYKQESA-N	1	0	247.769	5.179	40	30		BKEBRO
Cc1cc(C)cc(/[NH+]=C2\C=C(C)CC(C)(C)C2)c1	ZINC000017301424	168089568	/nfs/dbraw/zinc/08/95/68/168089568.db2.gz	DUNSFOWYNIKJBB-FBMGVBCBSA-N	1	0	241.378	5.142	40	30		BKEBRO
CCCCCCCCCCC[NH+]1CCCCC1	ZINC000059663537	520016368	/nfs/dbraw/zinc/01/63/68/520016368.db2.gz	RUYVJKRJAWUUPA-UHFFFAOYSA-N	1	0	239.447	5.003	40	30		BKEBRO
CCCCCCCCCCCC[NH+](CC)CC	ZINC000060138564	385068032	/nfs/dbraw/zinc/06/80/32/385068032.db2.gz	IOKYPACLTOWHCM-UHFFFAOYSA-N	1	0	241.463	5.249	40	30		BKEBRO
CCCCCCCC[NH+](CCCC)CCCC	ZINC000100075154	384615185	/nfs/dbraw/zinc/61/51/85/384615185.db2.gz	PMDQHLBJMHXBAF-UHFFFAOYSA-N	1	0	241.463	5.249	40	30		BKEBRO
CC1=C/C(=[NH+]\c2ccc(Cl)cc2)CC(C)(C)C1	ZINC000104359629	168089657	/nfs/dbraw/zinc/08/96/57/168089657.db2.gz	HCIPAEBEZJWMDW-SAPNQHFASA-N	1	0	247.769	5.179	40	30		BKEBRO
Cc1cc(C)cc(/[NH+]=C2/C=C(C)CC(C)(C)C2)c1	ZINC000104359657	168089215	/nfs/dbraw/zinc/08/92/15/168089215.db2.gz	DUNSFOWYNIKJBB-VLGSPTGOSA-N	1	0	241.378	5.142	40	30		BKEBRO
CCCCCCC/C(C)=[NH+]\[C@@H](C)CC(C)C	ZINC000104361616	384967195	/nfs/dbraw/zinc/96/71/95/384967195.db2.gz	FHLCDLBIZLWYOB-RIBQPWQFSA-N	1	0	225.420	5.242	40	30		BKEBRO
CCCCCCC/C(C)=[NH+]\[C@H](C)CC(C)C	ZINC000104361623	384966832	/nfs/dbraw/zinc/96/68/32/384966832.db2.gz	FHLCDLBIZLWYOB-VZHUHSAUSA-N	1	0	225.420	5.242	40	30		BKEBRO