smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009530552	555325328	/nfs/dbraw/zinc/32/53/28/555325328.db2.gz	DNEOXRZKFAPMPA-SJORKVTESA-N	0	3	453.459	0.913	50	5		JCBAHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009530553	555325344	/nfs/dbraw/zinc/32/53/44/555325344.db2.gz	DNEOXRZKFAPMPA-IRXDYDNUSA-N	0	3	453.459	0.913	50	5		JCBAHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009530554	555325320	/nfs/dbraw/zinc/32/53/20/555325320.db2.gz	DNEOXRZKFAPMPA-IAGOWNOFSA-N	0	3	453.459	0.913	50	5		JCBAHN
CCOC(=O)C1=C([O-])NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009530556	555325313	/nfs/dbraw/zinc/32/53/13/555325313.db2.gz	DNEOXRZKFAPMPA-DLBZAZTESA-N	0	3	453.459	0.913	50	5		JCBAHN
Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000015671363	555928742	/nfs/dbraw/zinc/92/87/42/555928742.db2.gz	YUCCZEOONZGEBZ-UHFFFAOYSA-N	0	3	461.548	0.956	50	5		JCBAHN
Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000015838407	556022037	/nfs/dbraw/zinc/02/20/37/556022037.db2.gz	PUZOQDIKOPIMSO-UHFFFAOYSA-N	0	3	461.548	0.956	50	5		JCBAHN
CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12	ZINC000035870181	569718176	/nfs/dbraw/zinc/71/81/76/569718176.db2.gz	HYDOQUGESQZSCY-TZIWHRDSSA-N	0	3	458.563	0.558	50	5		JCBAHN
CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@H]12	ZINC000035870182	569718071	/nfs/dbraw/zinc/71/80/71/569718071.db2.gz	HYDOQUGESQZSCY-PZJWPPBQSA-N	0	3	458.563	0.558	50	5		JCBAHN
C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])CN1CCN(C)CC1	ZINC000040149300	569818791	/nfs/dbraw/zinc/81/87/91/569818791.db2.gz	GOBKZZGJUULFEY-KRWDZBQOSA-N	0	3	454.597	0.826	50	5		JCBAHN
C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])CN1CCN(C)CC1	ZINC000040149301	569818808	/nfs/dbraw/zinc/81/88/08/569818808.db2.gz	GOBKZZGJUULFEY-QGZVFWFLSA-N	0	3	454.597	0.826	50	5		JCBAHN
CN(C(=O)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCN(C)CC1	ZINC000040152819	569820389	/nfs/dbraw/zinc/82/03/89/569820389.db2.gz	XTFDLVJYGYYSPO-UHFFFAOYSA-N	0	3	469.564	0.970	50	5		JCBAHN
CN(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12	ZINC000169677226	569868528	/nfs/dbraw/zinc/86/85/28/569868528.db2.gz	HYDOQUGESQZSCY-CTNGQTDRSA-N	0	3	458.563	0.558	50	5		JCBAHN
CN(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CC(=O)N3CCCC3)C[C@@H]12	ZINC000169677227	569868493	/nfs/dbraw/zinc/86/84/93/569868493.db2.gz	HYDOQUGESQZSCY-FPOVZHCZSA-N	0	3	458.563	0.558	50	5		JCBAHN
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000256006203	570106630	/nfs/dbraw/zinc/10/66/30/570106630.db2.gz	VEDBEYLQKXTZOG-BCUIYNNISA-N	0	3	450.496	0.031	50	5		JCBAHN
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000256006204	570106692	/nfs/dbraw/zinc/10/66/92/570106692.db2.gz	VEDBEYLQKXTZOG-JFILPPLUSA-N	0	3	450.496	0.031	50	5		JCBAHN
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000256006205	570106634	/nfs/dbraw/zinc/10/66/34/570106634.db2.gz	VEDBEYLQKXTZOG-VLXAULBPSA-N	0	3	450.496	0.031	50	5		JCBAHN
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000256006206	570106666	/nfs/dbraw/zinc/10/66/66/570106666.db2.gz	VEDBEYLQKXTZOG-VPWBDBDCSA-N	0	3	450.496	0.031	50	5		JCBAHN