smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnn[n-]1	ZINC000097102718	570893763	/nfs/dbraw/zinc/89/37/63/570893763.db2.gz	UUNKVQIMZVNMLS-JTQLQIEISA-N	-1	3	397.417	0.344	50	5		GCBAHM
C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nn[n-]n1	ZINC000097102718	570893768	/nfs/dbraw/zinc/89/37/68/570893768.db2.gz	UUNKVQIMZVNMLS-JTQLQIEISA-N	-1	3	397.417	0.344	50	5		GCBAHM
O=C(CSc1nc2c(cnn2CCO)c(=O)[n-]1)Nc1cccc([N+](=O)[O-])c1	ZINC000015881231	570282785	/nfs/dbraw/zinc/28/27/85/570282785.db2.gz	SFUMBCJUMAXBNJ-UHFFFAOYSA-N	-1	3	390.381	0.751	50	5		GCBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)n1	ZINC000015931163	570294237	/nfs/dbraw/zinc/29/42/37/570294237.db2.gz	JZILAINBFVZBDN-UHFFFAOYSA-N	-1	3	395.397	0.602	50	5		GCBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=S)N(C)C3=O)[C@H]2C1	ZINC000247963337	570432225	/nfs/dbraw/zinc/43/22/25/570432225.db2.gz	GFSNSRSUEWGIEA-DYVFJYSZSA-N	-1	3	389.437	0.131	50	5		GCBAHM
CCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012849023	530643780	/nfs/dbraw/zinc/64/37/80/530643780.db2.gz	UDMYKAOBTUSFSG-UHFFFAOYSA-N	-1	3	377.444	0.687	50	5		GCBAHM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008764010	530967093	/nfs/dbraw/zinc/96/70/93/530967093.db2.gz	CSHGFEBGRMYYHG-SSDOTTSWSA-N	-1	3	379.372	0.506	50	5		GCBAHM
C[C@@H](CN1CCCC1=O)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000253417723	206147999	/nfs/dbraw/zinc/14/79/99/206147999.db2.gz	DYFDWQVUSHXCNM-NSHDSACASA-N	-1	3	384.414	0.000	50	5		GCBAHM
Cc1c(C(N)=O)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1	ZINC000096294245	211331815	/nfs/dbraw/zinc/33/18/15/211331815.db2.gz	DESFHUMDOGYBFW-UHFFFAOYSA-N	-1	3	395.397	0.969	50	5		GCBAHM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008764011	530966763	/nfs/dbraw/zinc/96/67/63/530966763.db2.gz	CSHGFEBGRMYYHG-ZETCQYMHSA-N	-1	3	379.372	0.506	50	5		GCBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=S)N(C)C3=O)[C@@H]2C1	ZINC000015023540	570713603	/nfs/dbraw/zinc/71/36/03/570713603.db2.gz	GFSNSRSUEWGIEA-GUYCJALGSA-N	-1	3	389.437	0.971	50	5		GCBAHM
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000009287807	221077066	/nfs/dbraw/zinc/07/70/66/221077066.db2.gz	UGNVYSVOHLUYDN-UHFFFAOYSA-N	-1	3	394.299	0.713	50	5		GCBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=S)N(C)C3=O)[C@H]2C1	ZINC000247963332	206280808	/nfs/dbraw/zinc/28/08/08/206280808.db2.gz	GFSNSRSUEWGIEA-CXAGYDPISA-N	-1	3	389.437	0.131	50	5		GCBAHM
CCOC([O-])=NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000032945547	570306103	/nfs/dbraw/zinc/30/61/03/570306103.db2.gz	YBGTTZBIKHGKOY-UHFFFAOYSA-N	-1	3	381.341	0.861	50	5		GCBAHM
CCOC(=O)[N-]C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000032945547	570306105	/nfs/dbraw/zinc/30/61/05/570306105.db2.gz	YBGTTZBIKHGKOY-UHFFFAOYSA-N	-1	3	381.341	0.861	50	5		GCBAHM
CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1	ZINC000253429427	209041483	/nfs/dbraw/zinc/04/14/83/209041483.db2.gz	NHLJZFBQAGMXAH-UHFFFAOYSA-N	-1	3	398.397	0.955	50	5		GCBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=S)N(C)C3=O)[C@@H]2C1	ZINC000033821855	570421634	/nfs/dbraw/zinc/42/16/34/570421634.db2.gz	GFSNSRSUEWGIEA-SUMWQHHRSA-N	-1	3	389.437	0.971	50	5		GCBAHM
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]2C1	ZINC000245327318	212134192	/nfs/dbraw/zinc/13/41/92/212134192.db2.gz	OFMVHXRWZWKHGH-RDTXWAMCSA-N	-1	3	387.396	0.560	50	5		GCBAHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]Cc2ccoc2)c([N+](=O)[O-])c1	ZINC000032927585	530143894	/nfs/dbraw/zinc/14/38/94/530143894.db2.gz	FYUIYXQFFDNPEO-UHFFFAOYSA-N	-1	3	389.411	0.917	50	5		GCBAHM
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@H]2C1	ZINC000245327315	206281940	/nfs/dbraw/zinc/28/19/40/206281940.db2.gz	OFMVHXRWZWKHGH-KDOFPFPSSA-N	-1	3	387.396	0.560	50	5		GCBAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002856325	206292082	/nfs/dbraw/zinc/29/20/82/206292082.db2.gz	WEPOXLKVUHNMPB-UHFFFAOYSA-N	-1	3	385.423	0.763	50	5		GCBAHM
CN1CCN(C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1	ZINC000019589694	207142306	/nfs/dbraw/zinc/14/23/06/207142306.db2.gz	RVQNTDJBCACDDS-KRWDZBQOSA-N	-1	3	384.392	0.955	50	5		GCBAHM
O=C([N-]c1cccc(S(=O)(=O)N2CCOCC2)c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000012649845	221217161	/nfs/dbraw/zinc/21/71/61/221217161.db2.gz	PKBADIHUFVNJEC-UHFFFAOYSA-N	-1	3	381.370	0.591	50	5		GCBAHM
C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnn[n-]1	ZINC000097102719	570893830	/nfs/dbraw/zinc/89/38/30/570893830.db2.gz	UUNKVQIMZVNMLS-SNVBAGLBSA-N	-1	3	397.417	0.344	50	5		GCBAHM
C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nn[n-]n1	ZINC000097102719	570893834	/nfs/dbraw/zinc/89/38/34/570893834.db2.gz	UUNKVQIMZVNMLS-SNVBAGLBSA-N	-1	3	397.417	0.344	50	5		GCBAHM