smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC[N@@H+](C)CCC[C@H](C#N)c2ccc(OC)c(OC)c2)cc1OC	ZINC000022057896	523940288	/nfs/dbraw/zinc/94/02/88/523940288.db2.gz	FODDOFHUTVJMSE-HXUWFJFHSA-N	1	1	412.530	4.283	10	30		HIEEMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](c4n[nH]cc4C(N)=O)C3)c2)c1	ZINC000328604056	569417225	/nfs/dbraw/zinc/41/72/25/569417225.db2.gz	IGXJOXYQALKLIT-HXUWFJFHSA-N	1	1	415.497	4.123	10	30		HIEEMO
C=C(C)CC[C@@H](C)[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1	ZINC000023339517	518589924	/nfs/dbraw/zinc/58/99/24/518589924.db2.gz	YOPKSOBTIYZVAH-JOCHJYFZSA-N	1	1	411.634	4.267	10	30		HIEEMO
CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000004753183	559049387	/nfs/dbraw/zinc/04/93/87/559049387.db2.gz	FJLARXSRPUKHJO-QHCPKHFHSA-N	1	1	411.546	4.430	10	30		HIEEMO
CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1	ZINC000328603382	569417047	/nfs/dbraw/zinc/41/70/47/569417047.db2.gz	FZUBTUAAHAMJTP-OFNKIYASSA-N	1	1	418.541	4.110	10	30		HIEEMO
COCOc1ccccc1C1(C#N)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1	ZINC000033867881	522160861	/nfs/dbraw/zinc/16/08/61/522160861.db2.gz	UWAXNZMBFPUESD-UHFFFAOYSA-N	1	1	410.489	4.329	10	30		HIEEMO
C=C(C)CC[C@H](C)[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1	ZINC000023339515	518588824	/nfs/dbraw/zinc/58/88/24/518588824.db2.gz	YOPKSOBTIYZVAH-QFIPXVFZSA-N	1	1	411.634	4.267	10	30		HIEEMO
CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1	ZINC000328603381	569417050	/nfs/dbraw/zinc/41/70/50/569417050.db2.gz	FZUBTUAAHAMJTP-NFBKMPQASA-N	1	1	418.541	4.110	10	30		HIEEMO
COc1ccc(CC[N@@H+](C)CCC[C@@H](C#N)c2ccc(OC)c(OC)c2)cc1OC	ZINC000022057892	523939009	/nfs/dbraw/zinc/93/90/09/523939009.db2.gz	FODDOFHUTVJMSE-FQEVSTJZSA-N	1	1	412.530	4.283	10	30		HIEEMO
O=C1C=C(NNc2ccc(Cc3ccc(N[NH2+]C4=CC(=O)CCC4)cc3)cc2)CCC1	ZINC000103582044	569048745	/nfs/dbraw/zinc/04/87/45/569048745.db2.gz	UCZJWWYNTSUTPB-UHFFFAOYSA-N	1	1	416.525	4.384	10	30	in-vitro	HIEEMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](c4n[nH]cc4C(N)=O)C3)c2)c1	ZINC000328604055	569417240	/nfs/dbraw/zinc/41/72/40/569417240.db2.gz	IGXJOXYQALKLIT-FQEVSTJZSA-N	1	1	415.497	4.123	10	30		HIEEMO
CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000004753182	559049347	/nfs/dbraw/zinc/04/93/47/559049347.db2.gz	FJLARXSRPUKHJO-HSZRJFAPSA-N	1	1	411.546	4.430	10	30		HIEEMO