smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=[NH+]\CCCN2CCN(CCC/[NH+]=C\c3ccc(N(C)C)cc3)CC2)cc1	ZINC000104197535	569842839	/nfs/dbraw/zinc/84/28/39/569842839.db2.gz	GSRZIKRSUVMNAQ-HONQWNAWSA-N	3	0	462.686	3.754	40	30		JHEBRP
CN(C)c1ccc(/C=[NH+]/CCCN2CCN(CCC/[NH+]=C\c3ccc(N(C)C)cc3)CC2)cc1	ZINC000023477235	556074618	/nfs/dbraw/zinc/07/46/18/556074618.db2.gz	GSRZIKRSUVMNAQ-UEUMJKGWSA-N	2	0	462.686	3.754	40	30		JHEBRP
CN(C)c1ccc(/C=[NH+]/CCCN2CCN(CCC/[NH+]=C/c3ccc(N(C)C)cc3)CC2)cc1	ZINC000104197539	569842772	/nfs/dbraw/zinc/84/27/72/569842772.db2.gz	GSRZIKRSUVMNAQ-HCTXVGCHSA-N	3	0	462.686	3.754	40	30		JHEBRP
C[N+]1(CCCCCNC2=CC(=O)C(NCCCCC[N+]3(C)CCCCC3)=CC2=O)CCCCC1	ZINC000104088240	569840674	/nfs/dbraw/zinc/84/06/74/569840674.db2.gz	SFSDFOPWJRYISR-UHFFFAOYSA-P	2	0	474.734	3.687	40	30		JHEBRP
CNC(=[NH+]C)c1ccc(NC(=O)c2ccc(/C=C\C(=O)Nc3ccc(/C(NC)=[NH+]\C)cc3)cc2)cc1	ZINC000004758070	524036449	/nfs/dbraw/zinc/03/64/49/524036449.db2.gz	ZCZQQWXBZBQXDP-WSVATBPTSA-N	2	0	482.588	3.782	40	30		JHEBRP
CN/C(=[NH+]\C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]/C)c(C)c3)cc2)cc1C	ZINC000001690701	194131627	/nfs/dbraw/zinc/13/16/27/194131627.db2.gz	GKFDFADCUKURFK-UHFFFAOYSA-N	2	0	484.604	4.000	40	30		JHEBRP
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1	ZINC000072131126	519121655	/nfs/dbraw/zinc/12/16/55/519121655.db2.gz	IHSGDUHUXOPCHC-GUGJMVMRSA-N	2	0	487.749	3.837	40	30	world	JHEBRP
CCNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NCC)cc3)cc2)cc1	ZINC000001696122	553983137	/nfs/dbraw/zinc/98/31/37/553983137.db2.gz	GUKMZXKXNIFWCO-UHFFFAOYSA-N	2	0	456.550	3.851	40	30		JHEBRP
CN/C(=[NH+]\C)c1ccc(NC(=O)/C=C/c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]/C)cc3)cc2)cc1	ZINC000017323871	518572013	/nfs/dbraw/zinc/57/20/13/518572013.db2.gz	ZCZQQWXBZBQXDP-CNHKJKLMSA-N	2	0	482.588	3.782	40	30		JHEBRP
CN=C(Nc1ccc(C(NC)=[NH+]C)cc1)c1ccc(C(=NC)Nc2ccc(C(NC)=[NH+]C)cc2)cc1	ZINC000096914695	569743760	/nfs/dbraw/zinc/74/37/60/569743760.db2.gz	DURPMPQUACRQDJ-UHFFFAOYSA-N	2	0	482.636	3.855	40	30		JHEBRP