smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)s1	ZINC000159887320	332721435	/nfs/dbraw/zinc/72/14/35/332721435.db2.gz	NFLSAIHWDJXXNR-NWDGAFQWSA-N	1	0	314.454	5.172	20	70		DKIDRO
CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3o2)s1	ZINC000159887458	332721388	/nfs/dbraw/zinc/72/13/88/332721388.db2.gz	NFLSAIHWDJXXNR-RYUDHWBXSA-N	1	0	314.454	5.172	20	70		DKIDRO
CC(C)c1ccc([C@H]([NH2+][C@@H](C)c2cncs2)C(C)C)cc1	ZINC000160414300	332792333	/nfs/dbraw/zinc/79/23/33/332792333.db2.gz	AZRQJBFHIXHYKM-KBXCAEBGSA-N	1	0	302.487	5.314	20	70		DKIDRO
CC(C)c1ccc([C@@H]([NH2+][C@@H](C)c2cncs2)C(C)C)cc1	ZINC000160414423	332792317	/nfs/dbraw/zinc/79/23/17/332792317.db2.gz	AZRQJBFHIXHYKM-KSSFIOAISA-N	1	0	302.487	5.314	20	70		DKIDRO
CC(C)c1ccc([C@@H]([NH2+][C@H](C)c2cncs2)C(C)C)cc1	ZINC000160414645	332792250	/nfs/dbraw/zinc/79/22/50/332792250.db2.gz	AZRQJBFHIXHYKM-KDOFPFPSSA-N	1	0	302.487	5.314	20	70		DKIDRO
CSc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)cc1	ZINC000160853412	333672160	/nfs/dbraw/zinc/67/21/60/333672160.db2.gz	FIYXMGQDYRLCDO-NSHDSACASA-N	1	0	309.837	5.052	20	70		DKIDRO
C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cc2ccccc2o1	ZINC000160865140	338568285	/nfs/dbraw/zinc/56/82/85/338568285.db2.gz	NJHRYYDOTCVLKC-NSHDSACASA-N	1	0	303.764	5.076	20	70		DKIDRO
c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1cnc(C2CCCC2)s1	ZINC000160972866	333731082	/nfs/dbraw/zinc/73/10/82/333731082.db2.gz	YIJWQIZGBVTFRM-HNNXBMFYSA-N	1	0	318.511	5.029	20	70		DKIDRO
Cc1nc2c(s1)[C@@H]([NH2+][C@H](CC(C)C)c1cccs1)CCC2	ZINC000161382054	337583595	/nfs/dbraw/zinc/58/35/95/337583595.db2.gz	FCODLIUWQJXXSG-LSDHHAIUSA-N	1	0	320.527	5.267	20	70		DKIDRO
CCc1ccc(C[NH2+]C(c2cccs2)c2cccs2)s1	ZINC000217816659	337319175	/nfs/dbraw/zinc/31/91/75/337319175.db2.gz	AJKMFZDYGNIMNL-UHFFFAOYSA-N	1	0	319.520	5.313	20	70		DKIDRO
CCc1ccc(C[NH2+]C(c2cccs2)c2cccs2)cc1	ZINC000217816901	337990883	/nfs/dbraw/zinc/99/08/83/337990883.db2.gz	VSGUNPFQKKGXTR-UHFFFAOYSA-N	1	0	313.491	5.251	20	70		DKIDRO
C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccc(Cl)c(Cl)c1	ZINC000218065605	333983759	/nfs/dbraw/zinc/98/37/59/333983759.db2.gz	DQEHZIOXMXZACV-NSHDSACASA-N	1	0	319.235	5.326	20	70		DKIDRO