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[NH+]1CCOCCOCCOCC1)OCC[NH+]1CCOCCOCCOCC1	ZINC000020083554	558331028	/nfs/dbraw/zinc/33/10/28/558331028.db2.gz	FNAQYAOMKFNEET-UHFFFAOYSA-N	2	1	420.547	-0.266	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCNC(N)=O)CC3)C2)CC1	ZINC000067688771	558991512	/nfs/dbraw/zinc/99/15/12/558991512.db2.gz	KVECEJRRIYCCCE-MRXNPFEDSA-N	2	1	408.547	-0.478	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCNC(N)=O)CC3)C2)CC1	ZINC000067688771	558991510	/nfs/dbraw/zinc/99/15/10/558991510.db2.gz	KVECEJRRIYCCCE-MRXNPFEDSA-N	2	1	408.547	-0.478	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCNC(N)=O)CC3)C2)CC1	ZINC000067688772	558991522	/nfs/dbraw/zinc/99/15/22/558991522.db2.gz	KVECEJRRIYCCCE-INIZCTEOSA-N	2	1	408.547	-0.478	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCNC(N)=O)CC3)C2)CC1	ZINC000067688772	558991520	/nfs/dbraw/zinc/99/15/20/558991520.db2.gz	KVECEJRRIYCCCE-INIZCTEOSA-N	2	1	408.547	-0.478	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4(C(N)=O)CC4)CC3)C2)CC1	ZINC000067967171	558862286	/nfs/dbraw/zinc/86/22/86/558862286.db2.gz	QCCBGKHLUHUKSF-MRXNPFEDSA-N	2	1	405.543	-0.271	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4(C(N)=O)CC4)CC3)C2)CC1	ZINC000067967171	558862284	/nfs/dbraw/zinc/86/22/84/558862284.db2.gz	QCCBGKHLUHUKSF-MRXNPFEDSA-N	2	1	405.543	-0.271	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4(C(N)=O)CC4)CC3)C2)CC1	ZINC000067967174	558862241	/nfs/dbraw/zinc/86/22/41/558862241.db2.gz	QCCBGKHLUHUKSF-INIZCTEOSA-N	2	1	405.543	-0.271	50	0		HBAAMP
C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4(C(N)=O)CC4)CC3)C2)CC1	ZINC000067967174	558862238	/nfs/dbraw/zinc/86/22/38/558862238.db2.gz	QCCBGKHLUHUKSF-INIZCTEOSA-N	2	1	405.543	-0.271	50	0		HBAAMP
CNC(=O)CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000071416356	558897695	/nfs/dbraw/zinc/89/76/95/558897695.db2.gz	MHCYGYMNLIAMLP-KRWDZBQOSA-N	2	1	407.559	-0.010	50	0		HBAAMP
CNC(=O)CCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000071416356	558897693	/nfs/dbraw/zinc/89/76/93/558897693.db2.gz	MHCYGYMNLIAMLP-KRWDZBQOSA-N	2	1	407.559	-0.010	50	0		HBAAMP
CNC(=O)CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000071416357	558897707	/nfs/dbraw/zinc/89/77/07/558897707.db2.gz	MHCYGYMNLIAMLP-QGZVFWFLSA-N	2	1	407.559	-0.010	50	0		HBAAMP
CNC(=O)CCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000071416357	558897705	/nfs/dbraw/zinc/89/77/05/558897705.db2.gz	MHCYGYMNLIAMLP-QGZVFWFLSA-N	2	1	407.559	-0.010	50	0		HBAAMP
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)[nH]c2=O)cc1	ZINC000077357347	559002322	/nfs/dbraw/zinc/00/23/22/559002322.db2.gz	VWZVEUHIMGDEJT-CQSZACIVSA-N	2	1	419.507	-0.267	50	0		HBAAMP
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@@H+]3CC[C@H](C[NH3+])C3)[nH]c2=O)cc1	ZINC000077357347	559002321	/nfs/dbraw/zinc/00/23/21/559002321.db2.gz	VWZVEUHIMGDEJT-CQSZACIVSA-N	2	1	419.507	-0.267	50	0		HBAAMP
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)[nH]c2=O)cc1	ZINC000077357350	559002474	/nfs/dbraw/zinc/00/24/74/559002474.db2.gz	VWZVEUHIMGDEJT-AWEZNQCLSA-N	2	1	419.507	-0.267	50	0		HBAAMP
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@@H+]3CC[C@@H](C[NH3+])C3)[nH]c2=O)cc1	ZINC000077357350	559002473	/nfs/dbraw/zinc/00/24/73/559002473.db2.gz	VWZVEUHIMGDEJT-AWEZNQCLSA-N	2	1	419.507	-0.267	50	0		HBAAMP
O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(NCc4nnc5ccccn54)n3)[C@@H]2C1	ZINC000097797449	559122270	/nfs/dbraw/zinc/12/22/70/559122270.db2.gz	ZTVAVZLKMKJQPT-QWHCGFSZSA-N	2	1	400.468	-0.293	50	0		HBAAMP