smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCc1cn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cn1	ZINC001162302521	815812532	/nfs/dbraw/zinc/81/25/32/815812532.db2.gz	UQAMMDGJRZNLFA-UHFFFAOYSA-N	1	3	275.272	-0.284	20	5		CBBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000120221733	351839229	/nfs/dbraw/zinc/83/92/29/351839229.db2.gz	KHMPIEFPRLTCGI-UHFFFAOYSA-N	1	3	298.347	-0.117	20	5		CBBDHO
NCc1ccnn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001155130533	815266189	/nfs/dbraw/zinc/26/61/89/815266189.db2.gz	XCGLEWTYRJLSNA-UHFFFAOYSA-N	1	3	275.272	-0.284	20	5		CBBDHO
NCc1ccnn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001162592875	815835180	/nfs/dbraw/zinc/83/51/80/815835180.db2.gz	RCCRPDWEGBIESC-UHFFFAOYSA-N	1	3	275.272	-0.284	20	5		CBBDHO
CN(CCn1ccc([N+](=O)[O-])n1)CCN1CC[NH2+]CC1	ZINC000592472304	355155473	/nfs/dbraw/zinc/15/54/73/355155473.db2.gz	VXNAOZNQFRESMM-UHFFFAOYSA-N	1	3	282.348	-0.372	20	5		CBBDHO
CN(CCOCC[NH3+])CCn1ccc([N+](=O)[O-])n1	ZINC000600736166	355564233	/nfs/dbraw/zinc/56/42/33/355564233.db2.gz	QRLZVVXAONRVPP-UHFFFAOYSA-N	1	3	257.294	-0.302	20	5		CBBDHO
Cn1cc(N[C@@H](N)CCC[NH3+])cc([N+](=O)[O-])c1=O	ZINC001170900400	820335373	/nfs/dbraw/zinc/33/53/73/820335373.db2.gz	TVFAWWHQBMMKIJ-SECBINFHSA-N	1	3	255.278	-0.271	20	5		CBBDHO
O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)CN2CCCC2)c1	ZINC000600727779	355562975	/nfs/dbraw/zinc/56/29/75/355562975.db2.gz	MLRPACCGCJCHKP-GFCCVEGCSA-N	1	3	283.332	-0.162	20	5		CBBDHO
O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)CN2CCCC2)c1	ZINC000600727785	355563194	/nfs/dbraw/zinc/56/31/94/355563194.db2.gz	MLRPACCGCJCHKP-LBPRGKRZSA-N	1	3	283.332	-0.162	20	5		CBBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000552127436	374261012	/nfs/dbraw/zinc/26/10/12/374261012.db2.gz	PIKFYLNSDMIYEZ-UHFFFAOYSA-N	1	3	298.347	-0.117	20	5		CBBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000619788186	356227478	/nfs/dbraw/zinc/22/74/78/356227478.db2.gz	QDVPWEILDJUZKJ-UHFFFAOYSA-N	1	3	298.347	-0.117	20	5		CBBDHO
NCc1cnnn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158427364	815528985	/nfs/dbraw/zinc/52/89/85/815528985.db2.gz	RDNHIMPLBUSFDK-UHFFFAOYSA-N	1	3	276.260	-0.889	20	5		CBBDHO
[NH3+]C[C@H](O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254571777	825965979	/nfs/dbraw/zinc/96/59/79/825965979.db2.gz	BSSHFUSIUBICGZ-PWSUYJOCSA-N	1	3	251.286	-0.029	20	5		CBBDHO
[NH3+]C[C@H](O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254571776	825966244	/nfs/dbraw/zinc/96/62/44/825966244.db2.gz	BSSHFUSIUBICGZ-JQWIXIFHSA-N	1	3	251.286	-0.029	20	5		CBBDHO
[NH3+]C[C@@H](O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254571775	825965154	/nfs/dbraw/zinc/96/51/54/825965154.db2.gz	BSSHFUSIUBICGZ-CMPLNLGQSA-N	1	3	251.286	-0.029	20	5		CBBDHO
C[NH2+]CCOCCN(C)CCn1ccc([N+](=O)[O-])n1	ZINC000600729806	355563064	/nfs/dbraw/zinc/56/30/64/355563064.db2.gz	XQPVOHIHVABQNQ-UHFFFAOYSA-N	1	3	271.321	-0.041	20	5		CBBDHO
[NH3+]CCc1nnn(-c2cc3c(cc2[N+](=O)[O-])CNC3)n1	ZINC001167791370	820119030	/nfs/dbraw/zinc/11/90/30/820119030.db2.gz	XXKUODCDAKXZOS-UHFFFAOYSA-N	1	3	275.272	-0.325	20	5		CBBDHO
O=[N+]([O-])c1cnn(CCN2CC[C@H](N3CC[NH2+]CC3)C2)c1	ZINC000573447191	354912936	/nfs/dbraw/zinc/91/29/36/354912936.db2.gz	AZJBEAWLRPQNEX-LBPRGKRZSA-N	1	3	294.359	-0.229	20	5		CBBDHO
CN(CCn1cc([N+](=O)[O-])cn1)CCN1CC[NH2+]CC1	ZINC000592984955	355188896	/nfs/dbraw/zinc/18/88/96/355188896.db2.gz	XEKSUFJBTDBCDD-UHFFFAOYSA-N	1	3	282.348	-0.372	20	5		CBBDHO
NCc1cn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cn1	ZINC001154910078	815248914	/nfs/dbraw/zinc/24/89/14/815248914.db2.gz	DUICLACRIKRPJP-UHFFFAOYSA-N	1	3	275.272	-0.284	20	5		CBBDHO
CN(CCOCC[NH3+])CCn1cc([N+](=O)[O-])cn1	ZINC000600734593	355563665	/nfs/dbraw/zinc/56/36/65/355563665.db2.gz	HSKDIMASLMJRIB-UHFFFAOYSA-N	1	3	257.294	-0.302	20	5		CBBDHO
NCc1cnnn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001169311200	820226326	/nfs/dbraw/zinc/22/63/26/820226326.db2.gz	RMOSLYQCBUVIRO-UHFFFAOYSA-N	1	3	276.260	-0.889	20	5		CBBDHO
[NH3+]C[C@@H](O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254571778	825965768	/nfs/dbraw/zinc/96/57/68/825965768.db2.gz	BSSHFUSIUBICGZ-ZYHUDNBSSA-N	1	3	251.286	-0.029	20	5		CBBDHO
C[NH2+]CCOCCN(C)CCn1cc([N+](=O)[O-])cn1	ZINC000600728815	355563397	/nfs/dbraw/zinc/56/33/97/355563397.db2.gz	QYSMDPFDVDDVQB-UHFFFAOYSA-N	1	3	271.321	-0.041	20	5		CBBDHO
O=[N+]([O-])c1cnn(CCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1	ZINC000573447190	354913036	/nfs/dbraw/zinc/91/30/36/354913036.db2.gz	AZJBEAWLRPQNEX-GFCCVEGCSA-N	1	3	294.359	-0.229	20	5		CBBDHO
Cn1cc(N[C@H](N)CCC[NH3+])cc([N+](=O)[O-])c1=O	ZINC001170900402	820335981	/nfs/dbraw/zinc/33/59/81/820335981.db2.gz	TVFAWWHQBMMKIJ-VIFPVBQESA-N	1	3	255.278	-0.271	20	5		CBBDHO