smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000015671256	568802348	/nfs/dbraw/zinc/80/23/48/568802348.db2.gz	ZFRSGDWCGWONDZ-UHFFFAOYSA-N	0	3	432.506	1.804	50	5		IDBAHN
C[C@H]1C[C@H](C)CN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935535	556678270	/nfs/dbraw/zinc/67/82/70/556678270.db2.gz	KFHHNQSXGYARCI-IRXDYDNUSA-N	0	3	439.582	1.921	50	5		IDBAHN
Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000015838380	568844419	/nfs/dbraw/zinc/84/44/19/568844419.db2.gz	BWIUACJPNNVGRK-UHFFFAOYSA-N	0	3	425.493	1.407	50	5		IDBAHN
CCCC(=O)OC[C@@H](O)CN(CCOC)CCc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000036147572	568962555	/nfs/dbraw/zinc/96/25/55/568962555.db2.gz	IVEVTBOSBOJITR-KRWDZBQOSA-N	0	3	436.465	1.840	50	5		IDBAHN
O=C(Cn1c2ccccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O)NCCN1CCCC1	ZINC000096317822	569393568	/nfs/dbraw/zinc/39/35/68/569393568.db2.gz	XJSOJSHJYKXDHL-UHFFFAOYSA-N	0	3	437.456	1.273	50	5		IDBAHN
C[C@@H]1C[C@H](C)CN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935532	556678284	/nfs/dbraw/zinc/67/82/84/556678284.db2.gz	KFHHNQSXGYARCI-CALCHBBNSA-N	0	3	439.582	1.921	50	5		IDBAHN
C[C@@H]1CCCN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000013126759	562984935	/nfs/dbraw/zinc/98/49/35/562984935.db2.gz	GWHXNEACRWHVJR-HZPDHXFCSA-N	0	3	427.523	1.851	50	5		IDBAHN
CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000253430839	569267769	/nfs/dbraw/zinc/26/77/69/569267769.db2.gz	OLSILJQMQXQNKW-HOTGVXAUSA-N	0	3	426.445	1.975	50	5		IDBAHN
C[C@@H]1C[C@@H](C)CN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	ZINC000032935530	556678152	/nfs/dbraw/zinc/67/81/52/556678152.db2.gz	KFHHNQSXGYARCI-IAGOWNOFSA-N	0	3	439.582	1.921	50	5		IDBAHN
C[C@H]1CCCN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000008156432	562949090	/nfs/dbraw/zinc/94/90/90/562949090.db2.gz	GWHXNEACRWHVJR-HOTGVXAUSA-N	0	3	427.523	1.851	50	5		IDBAHN
Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000015838382	568844438	/nfs/dbraw/zinc/84/44/38/568844438.db2.gz	DUHIYOFKAFXLAZ-UHFFFAOYSA-N	0	3	425.493	1.407	50	5		IDBAHN
Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000015838393	568844521	/nfs/dbraw/zinc/84/45/21/568844521.db2.gz	UJPSMQIHOQERQX-UHFFFAOYSA-N	0	3	448.505	1.041	50	5		IDBAHN
C[C@H]1CC(=O)N(c2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c([N+](=O)[O-])c2)C1=O	ZINC000004030475	132268557	/nfs/dbraw/zinc/26/85/57/132268557.db2.gz	FKKKXCSRXBMHOE-HNNXBMFYSA-N	0	3	443.504	1.804	50	5		IDBAHN
CCN1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC3)CC1	ZINC000034797223	568738287	/nfs/dbraw/zinc/73/82/87/568738287.db2.gz	URWHJSYSSMUPHK-UHFFFAOYSA-N	0	3	426.477	1.223	50	5		IDBAHN
C[C@H]1CCCN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000013126765	562984941	/nfs/dbraw/zinc/98/49/41/562984941.db2.gz	GWHXNEACRWHVJR-JKSUJKDBSA-N	0	3	427.523	1.851	50	5		IDBAHN
CCCC(=O)OC[C@H](O)CN(CCOC)CCc1nc(-c2cccc([N+](=O)[O-])c2)no1	ZINC000036147569	568962516	/nfs/dbraw/zinc/96/25/16/568962516.db2.gz	IVEVTBOSBOJITR-QGZVFWFLSA-N	0	3	436.465	1.840	50	5		IDBAHN
C[C@@H]1CC(=O)N(c2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)c([N+](=O)[O-])c2)C1=O	ZINC000020740577	526215345	/nfs/dbraw/zinc/21/53/45/526215345.db2.gz	FKKKXCSRXBMHOE-OAHLLOKOSA-N	0	3	443.504	1.804	50	5		IDBAHN
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004534066	556419150	/nfs/dbraw/zinc/41/91/50/556419150.db2.gz	RMYMOVDNWWDGFU-DEYYWGMASA-N	0	3	427.461	1.113	50	5		IDBAHN
C[C@@H]1CCCN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	ZINC000008156431	562949075	/nfs/dbraw/zinc/94/90/75/562949075.db2.gz	GWHXNEACRWHVJR-CVEARBPZSA-N	0	3	427.523	1.851	50	5		IDBAHN
Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000015838390	568844387	/nfs/dbraw/zinc/84/43/87/568844387.db2.gz	DADAFRUJBDQOJM-UHFFFAOYSA-N	0	3	432.506	1.804	50	5		IDBAHN
C[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004534068	556419047	/nfs/dbraw/zinc/41/90/47/556419047.db2.gz	RMYMOVDNWWDGFU-IYOUNJFTSA-N	0	3	427.461	1.113	50	5		IDBAHN
Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000015671305	568802564	/nfs/dbraw/zinc/80/25/64/568802564.db2.gz	CZZPKGUZCMKUQR-UHFFFAOYSA-N	0	3	448.505	1.041	50	5		IDBAHN
CC1CC[NH+](Cc2cc(=O)[n-]c(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)n2)CC1	ZINC000035926357	521023557	/nfs/dbraw/zinc/02/35/57/521023557.db2.gz	NXNLQPYRLFWGRY-UHFFFAOYSA-N	0	3	440.504	1.872	50	5		IDBAHN