smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CCN(CC(C)(C)COC(=O)C2=C(C)NC(C)=C(C(=O)OC)[C@H]2c2cccc([N+](=O)[O-])c2)CC1	ZINC000031291792	553861117	/nfs/dbraw/zinc/86/11/17/553861117.db2.gz	QBTSPDQKRVMTRU-RUZDIDTESA-N	0	3	526.634	3.376	40	30	in-man	KGEBHN
C=CCN1CCN(CC(C)(C)COC(=O)C2=C(C)NC(C)=C(C(=O)OC)[C@@H]2c2cccc([N+](=O)[O-])c2)CC1	ZINC000031291794	553861214	/nfs/dbraw/zinc/86/12/14/553861214.db2.gz	QBTSPDQKRVMTRU-VWLOTQADSA-N	0	3	526.634	3.376	40	30	in-man	KGEBHN
CN[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@H]([C@@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269952	553655783	/nfs/dbraw/zinc/65/57/83/553655783.db2.gz	DIZXHMGPGJSRNA-JBYBJSBYSA-N	0	3	539.758	3.327	40	30	in-vitro	KGEBHN
CN[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269960	553655717	/nfs/dbraw/zinc/65/57/17/553655717.db2.gz	DIZXHMGPGJSRNA-PHGATKIXSA-N	0	3	539.758	3.327	40	30	in-vitro	KGEBHN
CN[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@@H]([C@@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269964	553655832	/nfs/dbraw/zinc/65/58/32/553655832.db2.gz	DIZXHMGPGJSRNA-NVZURLRVSA-N	0	3	539.758	3.327	40	30	in-vitro	KGEBHN
CN[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CCCCCCC(=O)[C@@H]([C@H](OC(C)=O)[C@H](C)CC=O)N(C)C)C(C)C	ZINC000077269968	553655735	/nfs/dbraw/zinc/65/57/35/553655735.db2.gz	DIZXHMGPGJSRNA-OTVAUNOGSA-N	0	3	539.758	3.327	40	30	in-vitro	KGEBHN
C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc42)C3)C[C@@H]1CC#N	ZINC001560403858	1060050146	/nfs/dbraw/zinc/05/01/46/1060050146.db2.gz	YKGVCHZNLOIACZ-ZEQRLZLVSA-N	0	3	567.694	3.488	40	30		KGEBHN