smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2ccc(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)o2)c([N+](=O)[O-])c1	ZINC001461491926	1067875131	/nfs/dbraw/zinc/87/51/31/1067875131.db2.gz	CYIRYQUZOGTIAM-UHFFFAOYSA-N	2	0	451.523	4.626	20	5		JJBDRP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC001462047817	1067989365	/nfs/dbraw/zinc/98/93/65/1067989365.db2.gz	SNJDBQZDXZGMHW-MUUNZHRXSA-N	2	0	459.590	4.840	20	5		JJBDRP
O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3(O)CC[NH+](Cc4ccccc4)CC3)s2)cc1	ZINC001461718403	1067924487	/nfs/dbraw/zinc/92/44/87/1067924487.db2.gz	GFPCJPHPFYOVJM-UHFFFAOYSA-N	2	0	451.592	4.830	20	5		JJBDRP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC001462047822	1067989514	/nfs/dbraw/zinc/98/95/14/1067989514.db2.gz	SNJDBQZDXZGMHW-NDEPHWFRSA-N	2	0	459.590	4.840	20	5		JJBDRP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@@H](c3ccccc3)[C@H](O)c3ccccc3)CC2)cc1	ZINC001462297789	1068046690	/nfs/dbraw/zinc/04/66/90/1068046690.db2.gz	OSXLTNKMZVRFMK-WUFINQPMSA-N	2	0	459.590	4.914	20	5		JJBDRP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)CC2)cc1	ZINC001462007112	1067979054	/nfs/dbraw/zinc/97/90/54/1067979054.db2.gz	GEJVGMCQMALCND-UHFFFAOYSA-N	2	0	451.611	4.900	20	5		JJBDRP
C[C@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	ZINC001462387731	1068064368	/nfs/dbraw/zinc/06/43/68/1068064368.db2.gz	NVBSEGQZIDBYHW-WDJPJFJCSA-N	2	0	473.658	4.831	20	5		JJBDRP
C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C[NH+]1CCCCC1	ZINC001360597942	1065615943	/nfs/dbraw/zinc/61/59/43/1065615943.db2.gz	SWMHECWXRORCTL-JOCHJYFZSA-N	2	0	497.688	4.534	20	5		JJBDRP
C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C[NH+]1CCCCC1	ZINC001360597944	1065615957	/nfs/dbraw/zinc/61/59/57/1065615957.db2.gz	SWMHECWXRORCTL-QFIPXVFZSA-N	2	0	497.688	4.534	20	5		JJBDRP
C[C@@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C	ZINC001462387727	1068064487	/nfs/dbraw/zinc/06/44/87/1068064487.db2.gz	NVBSEGQZIDBYHW-VEXUSMLFSA-N	2	0	473.658	4.831	20	5		JJBDRP
CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001462358280	1068058680	/nfs/dbraw/zinc/05/86/80/1068058680.db2.gz	WSCAHCRAMMPPJJ-QFIPXVFZSA-N	2	0	459.631	4.683	20	5		JJBDRP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]Cc3cc(C(F)(F)F)cc(Cl)n3)CC2)cc1	ZINC001462565221	1068099133	/nfs/dbraw/zinc/09/91/33/1068099133.db2.gz	SIPANMBCGSLQQB-UHFFFAOYSA-N	2	0	456.896	4.706	20	5		JJBDRP
CC(C)[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCCCC2)CC1)C(C)C	ZINC001360129259	1065024834	/nfs/dbraw/zinc/02/48/34/1065024834.db2.gz	TWFDCWMBHKXNAH-UHFFFAOYSA-N	2	0	497.688	4.674	20	5		JJBDRP
CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC001462358274	1068058844	/nfs/dbraw/zinc/05/88/44/1068058844.db2.gz	WSCAHCRAMMPPJJ-JOCHJYFZSA-N	2	0	459.631	4.683	20	5		JJBDRP