smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH+]OCC(=O)Nc1ccc(Cl)cc1)c1ccccc1C[NH+]1CCCCC1	ZINC000058134896	558900859	/nfs/dbraw/zinc/90/08/59/558900859.db2.gz	XSMJFBQVXFQXFP-UHFFFAOYSA-N	2	2	400.910	3.602	50	30		HHEALP
C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(C)cc2)CC1	ZINC000036340641	518728377	/nfs/dbraw/zinc/72/83/77/518728377.db2.gz	ORHHVPOAYQJHQJ-QFIPXVFZSA-N	2	2	408.590	3.696	50	30		HHEALP
C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1	ZINC000036340303	518728007	/nfs/dbraw/zinc/72/80/07/518728007.db2.gz	KQGKFQZYABXRPK-QHCPKHFHSA-N	2	2	408.590	3.750	50	30		HHEALP
CCCCCCCCCOCn1c2ccccc2n(CC[NH+]2CCOCC2)c1=[NH2+]	ZINC000100480682	559135632	/nfs/dbraw/zinc/13/56/32/559135632.db2.gz	YOCMGJBPZNCHQW-UHFFFAOYSA-N	2	2	402.583	3.979	50	30		HHEALP
CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000058296479	568909158	/nfs/dbraw/zinc/90/91/58/568909158.db2.gz	INLDDEXLIGTWHQ-UHFFFAOYSA-N	2	2	402.608	3.881	50	30		HHEALP
Cc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1C	ZINC000058005292	568874697	/nfs/dbraw/zinc/87/46/97/568874697.db2.gz	XYIZVDYLIZDBTK-FQEVSTJZSA-N	2	2	422.573	3.804	50	30		HHEALP
C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(CC)c2Cc2ccc(C)cc2)CC1	ZINC000036340640	518720187	/nfs/dbraw/zinc/72/01/87/518720187.db2.gz	ORHHVPOAYQJHQJ-JOCHJYFZSA-N	2	2	408.590	3.696	50	30		HHEALP
Cc1ccc([C@@H](C)NC(=O)CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1C	ZINC000058005290	568874659	/nfs/dbraw/zinc/87/46/59/568874659.db2.gz	XYIZVDYLIZDBTK-HXUWFJFHSA-N	2	2	422.573	3.804	50	30		HHEALP
C=CC[NH+](CC=C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21	ZINC000011934406	568992691	/nfs/dbraw/zinc/99/26/91/568992691.db2.gz	MROUFXFJBVILBF-UHFFFAOYSA-N	2	2	421.589	3.599	50	30		HHEALP
C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1	ZINC000036340302	518721504	/nfs/dbraw/zinc/72/15/04/518721504.db2.gz	KQGKFQZYABXRPK-HSZRJFAPSA-N	2	2	408.590	3.750	50	30		HHEALP