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](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003297777	552344422	/nfs/dbraw/zinc/34/44/22/552344422.db2.gz	ZZHGMJPFAQWSKR-ZDUSSCGKSA-N	-1	1	525.499	2.749	50	5		KFBAMM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1	ZINC000008690037	553117132	/nfs/dbraw/zinc/11/71/32/553117132.db2.gz	AOOGDEBPBAACOY-UHFFFAOYSA-N	-1	1	500.489	2.976	50	5		KFBAMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1OC	ZINC000008972098	553195181	/nfs/dbraw/zinc/19/51/81/553195181.db2.gz	PPEQCORZRTZMHZ-ATIYNZHBSA-N	-1	1	508.531	2.835	50	5		KFBAMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1OC	ZINC000008972100	553195244	/nfs/dbraw/zinc/19/52/44/553195244.db2.gz	PPEQCORZRTZMHZ-GJZUVCINSA-N	-1	1	508.531	2.835	50	5		KFBAMM
Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1NC(=O)c1ccc(Br)o1	ZINC000012033647	553350198	/nfs/dbraw/zinc/35/01/98/553350198.db2.gz	HTJSGSVLFBRLFR-UHFFFAOYSA-N	-1	1	509.298	2.599	50	5		KFBAMM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000012591526	553400421	/nfs/dbraw/zinc/40/04/21/553400421.db2.gz	RBUXWDVSQYLLDX-UHFFFAOYSA-N	-1	1	513.484	2.962	50	5		KFBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@H]2C1	ZINC000016995426	553586031	/nfs/dbraw/zinc/58/60/31/553586031.db2.gz	WUVREEYJIDQABI-NLFFAJNJSA-N	-1	1	507.503	2.903	50	5		KFBAMM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000051012093	554328655	/nfs/dbraw/zinc/32/86/55/554328655.db2.gz	ZZHGMJPFAQWSKR-CYBMUJFWSA-N	-1	1	525.499	2.749	50	5		KFBAMM
C[C@H](N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	ZINC000098007403	554064195	/nfs/dbraw/zinc/06/41/95/554064195.db2.gz	LGFPKEPPOVZXMQ-LXNFZLTFSA-N	-1	1	593.681	2.862	50	5		KFBAMM
C[C@H](N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	ZINC000098007405	554064258	/nfs/dbraw/zinc/06/42/58/554064258.db2.gz	LGFPKEPPOVZXMQ-DGJHXPQASA-N	-1	1	593.681	2.862	50	5		KFBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)[C@@H]3C2)cc1	ZINC000098008942	554068139	/nfs/dbraw/zinc/06/81/39/554068139.db2.gz	VAGGUHDHAWCTHH-ABYGYWHVSA-N	-1	1	589.630	2.604	50	5		KFBAMM
COc1cccc(C(=O)NCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2O)c1	ZINC000102798986	555072083	/nfs/dbraw/zinc/07/20/83/555072083.db2.gz	BAOMOOVKVAJOKE-UHFFFAOYSA-N	-1	1	548.961	2.923	50	5		KFBAMM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000102799135	555072378	/nfs/dbraw/zinc/07/23/78/555072378.db2.gz	FTAAMBISDHDZFE-UHFFFAOYSA-N	-1	1	578.600	2.777	50	5		KFBAMM
O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000102909011	555141932	/nfs/dbraw/zinc/14/19/32/555141932.db2.gz	ZAYLFXVANSJNKJ-JOCHJYFZSA-N	-1	1	536.614	2.980	50	5		KFBAMM
O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000102909013	555141918	/nfs/dbraw/zinc/14/19/18/555141918.db2.gz	ZAYLFXVANSJNKJ-QFIPXVFZSA-N	-1	1	536.614	2.980	50	5		KFBAMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000103022075	555213332	/nfs/dbraw/zinc/21/33/32/555213332.db2.gz	SLNRYAYGMZMYHV-UHFFFAOYSA-N	-1	1	522.543	2.528	50	5		KFBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)[C@@H]3C2)cc1	ZINC000103027667	555217270	/nfs/dbraw/zinc/21/72/70/555217270.db2.gz	VAGGUHDHAWCTHH-SVEHJYQDSA-N	-1	1	589.630	2.604	50	5		KFBAMM
COc1ccc(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c([N+](=O)[O-])c1	ZINC000103090812	555269719	/nfs/dbraw/zinc/26/97/19/555269719.db2.gz	PSODMRCMEUUJKW-UHFFFAOYSA-N	-1	1	543.510	2.971	50	5		KFBAMM
CCOC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000103558755	555447280	/nfs/dbraw/zinc/44/72/80/555447280.db2.gz	DVMZNCJRLVHREO-OAQYLSRUSA-N	-1	1	614.637	2.517	50	5		KFBAMM
CCOC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000103558761	555447259	/nfs/dbraw/zinc/44/72/59/555447259.db2.gz	DVMZNCJRLVHREO-NRFANRHFSA-N	-1	1	614.637	2.517	50	5		KFBAMM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1c([O-])n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1	ZINC000104194446	571376590	/nfs/dbraw/zinc/37/65/90/571376590.db2.gz	UNEIKVHCUWFJCQ-IBGZPJMESA-N	-1	1	518.398	2.986	50	5		KFBAMM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1c([O-])n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1	ZINC000104194449	571376569	/nfs/dbraw/zinc/37/65/69/571376569.db2.gz	UNEIKVHCUWFJCQ-LJQANCHMSA-N	-1	1	518.398	2.986	50	5		KFBAMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)cc1OC	ZINC000229903949	572167903	/nfs/dbraw/zinc/16/79/03/572167903.db2.gz	PPEQCORZRTZMHZ-NVQXNPDNSA-N	-1	1	508.531	2.835	50	5		KFBAMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)cc1OC	ZINC000229903957	572168100	/nfs/dbraw/zinc/16/81/00/572168100.db2.gz	PPEQCORZRTZMHZ-BKMJKUGQSA-N	-1	1	508.531	2.835	50	5		KFBAMM
CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000230032239	572180296	/nfs/dbraw/zinc/18/02/96/572180296.db2.gz	NWQUHMBQFHWOCB-HOFKKMOUSA-N	-1	1	535.557	2.640	50	5		KFBAMM
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000230032242	572180126	/nfs/dbraw/zinc/18/01/26/572180126.db2.gz	NWQUHMBQFHWOCB-WNCULLNHSA-N	-1	1	535.557	2.640	50	5		KFBAMM
C[C@H](N1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	ZINC000230039986	572181176	/nfs/dbraw/zinc/18/11/76/572181176.db2.gz	LGFPKEPPOVZXMQ-BJIFBPLRSA-N	-1	1	593.681	2.862	50	5		KFBAMM
C[C@H](N1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	ZINC000230040001	572180950	/nfs/dbraw/zinc/18/09/50/572180950.db2.gz	LGFPKEPPOVZXMQ-BPWKRPMASA-N	-1	1	593.681	2.862	50	5		KFBAMM
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1	ZINC000245247510	572220790	/nfs/dbraw/zinc/22/07/90/572220790.db2.gz	UCRSEBPKILMDAH-GCJKJVERSA-N	-1	1	503.437	2.764	50	5		KFBAMM
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1	ZINC000245247511	572220834	/nfs/dbraw/zinc/22/08/34/572220834.db2.gz	UCRSEBPKILMDAH-XMSQKQJNSA-N	-1	1	503.437	2.764	50	5		KFBAMM
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1	ZINC000245324856	572230744	/nfs/dbraw/zinc/23/07/44/572230744.db2.gz	ASLXUDMFQWJRRL-AUSIDOKSSA-N	-1	1	517.464	2.950	50	5		KFBAMM
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1	ZINC000245324857	572231065	/nfs/dbraw/zinc/23/10/65/572231065.db2.gz	ASLXUDMFQWJRRL-XXBNENTESA-N	-1	1	517.464	2.950	50	5		KFBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1	ZINC000245325934	572232172	/nfs/dbraw/zinc/23/21/72/572232172.db2.gz	HXIOAKSCTMVCED-QDPGVEIFSA-N	-1	1	581.582	2.963	50	5		KFBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@H]2C1	ZINC000245329026	572235196	/nfs/dbraw/zinc/23/51/96/572235196.db2.gz	WUVREEYJIDQABI-CJFMBICVSA-N	-1	1	507.503	2.903	50	5		KFBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329441	572235569	/nfs/dbraw/zinc/23/55/69/572235569.db2.gz	YYTLXAPXOGQRFR-QFQXNSOFSA-N	-1	1	521.530	2.946	50	5		KFBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)[C@H]3C2)cc1	ZINC000248041649	572252725	/nfs/dbraw/zinc/25/27/25/572252725.db2.gz	VAGGUHDHAWCTHH-IRPSRAIASA-N	-1	1	589.630	2.604	50	5		KFBAMM
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)[C@H]3C2)cc1	ZINC000248041655	572252823	/nfs/dbraw/zinc/25/28/23/572252823.db2.gz	VAGGUHDHAWCTHH-VAVYLYDRSA-N	-1	1	589.630	2.604	50	5		KFBAMM