smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H]([NH3+])[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H]([NH3+])CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC	ZINC000028353639	561916002	/nfs/dbraw/zinc/91/60/02/561916002.db2.gz	XDIDVZCYOPSFLI-LCCIFMGJSA-N	2	2	706.753	1.901	1	5		KDBFLP
COC(=O)[C@H]([NH3+])[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H]([NH3+])CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC	ZINC000028353646	561916034	/nfs/dbraw/zinc/91/60/34/561916034.db2.gz	XDIDVZCYOPSFLI-IGJXTZBESA-N	2	2	706.753	1.901	1	5		KDBFLP
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000029462769	562023366	/nfs/dbraw/zinc/02/33/66/562023366.db2.gz	UDHCTCODHJHLHA-UHFFFAOYSA-N	2	2	536.557	1.465	1	5		KDBFLP
CN1CC[NH+](CCC(=O)NCc2cccc3cc4cccc(CNC(=O)CC[NH+]5CCN(C)CC5)c4nc32)CC1	ZINC000049695530	562670724	/nfs/dbraw/zinc/67/07/24/562670724.db2.gz	ZCBZUKLARNGIJM-UHFFFAOYSA-N	2	2	545.732	1.895	1	5		KDBFLP
COc1ccc(CN2CC[NH+](CCOc3ccc(C(=O)NC(N)=[NH2+])cc3[N+](=O)[O-])CC2)c(OC)c1OC	ZINC000072118638	562723593	/nfs/dbraw/zinc/72/35/93/562723593.db2.gz	JEWIXNITEVWRQP-UHFFFAOYSA-N	2	2	516.555	1.440	1	5		KDBFLP
COCCCn1c(=O)c2cc(NCCCN3CC[NH+](C)CC3)c3c(=O)n(CCCOC)c(=O)c4cc(NCCCN5CC[NH+](C)CC5)c(c1=O)c2c43	ZINC000095585939	562773821	/nfs/dbraw/zinc/77/38/21/562773821.db2.gz	PEZSFNHEHGIARU-UHFFFAOYSA-N	2	2	720.916	1.237	1	5		KDBFLP
COCCCn1c(=O)c2cc(NCCC[NH+]3CCN(C)CC3)c3c(=O)n(CCCOC)c(=O)c4cc(NCCCN5CC[NH+](C)CC5)c(c1=O)c2c43	ZINC000095585939	562773819	/nfs/dbraw/zinc/77/38/19/562773819.db2.gz	PEZSFNHEHGIARU-UHFFFAOYSA-N	2	2	720.916	1.237	1	5		KDBFLP
COCCCn1c(=O)c2cc(NCCC[NH+]3CCN(C)CC3)c3c(=O)n(CCCOC)c(=O)c4cc(NCCC[NH+]5CCN(C)CC5)c(c1=O)c2c43	ZINC000095585939	562773818	/nfs/dbraw/zinc/77/38/18/562773818.db2.gz	PEZSFNHEHGIARU-UHFFFAOYSA-N	2	2	720.916	1.237	1	5		KDBFLP
C[NH+]1CCN(CCCNc2cc3c(=O)n(C[C@@H]4CCCO4)c(=O)c4c(NCCCN5CC[NH+](C)CC5)cc5c(=O)n(C[C@@H]6CCCO6)c(=O)c2c5c34)CC1	ZINC000095586583	562773999	/nfs/dbraw/zinc/77/39/99/562773999.db2.gz	DZLGHSZAGSDOCB-NSOVKSMOSA-N	2	2	744.938	1.522	1	5		KDBFLP
CN1CC[NH+](CCCNc2cc3c(=O)n(C[C@@H]4CCCO4)c(=O)c4c(NCCCN5CC[NH+](C)CC5)cc5c(=O)n(C[C@@H]6CCCO6)c(=O)c2c5c34)CC1	ZINC000095586583	562773997	/nfs/dbraw/zinc/77/39/97/562773997.db2.gz	DZLGHSZAGSDOCB-NSOVKSMOSA-N	2	2	744.938	1.522	1	5		KDBFLP
CN1CC[NH+](CCCNc2cc3c(=O)n(C[C@@H]4CCCO4)c(=O)c4c(NCCC[NH+]5CCN(C)CC5)cc5c(=O)n(C[C@@H]6CCCO6)c(=O)c2c5c34)CC1	ZINC000095586583	562773996	/nfs/dbraw/zinc/77/39/96/562773996.db2.gz	DZLGHSZAGSDOCB-NSOVKSMOSA-N	2	2	744.938	1.522	1	5		KDBFLP
C[NH+]1CCN(CCCNc2cc3c(=O)n(C[C@H]4CCCO4)c(=O)c4c(NCCCN5CC[NH+](C)CC5)cc5c(=O)n(C[C@H]6CCCO6)c(=O)c2c5c34)CC1	ZINC000095586585	562774064	/nfs/dbraw/zinc/77/40/64/562774064.db2.gz	DZLGHSZAGSDOCB-VSGBNLITSA-N	2	2	744.938	1.522	1	5		KDBFLP
CN1CC[NH+](CCCNc2cc3c(=O)n(C[C@H]4CCCO4)c(=O)c4c(NCCCN5CC[NH+](C)CC5)cc5c(=O)n(C[C@H]6CCCO6)c(=O)c2c5c34)CC1	ZINC000095586585	562774062	/nfs/dbraw/zinc/77/40/62/562774062.db2.gz	DZLGHSZAGSDOCB-VSGBNLITSA-N	2	2	744.938	1.522	1	5		KDBFLP
CN1CC[NH+](CCCNc2cc3c(=O)n(C[C@H]4CCCO4)c(=O)c4c(NCCC[NH+]5CCN(C)CC5)cc5c(=O)n(C[C@H]6CCCO6)c(=O)c2c5c34)CC1	ZINC000095586585	562774061	/nfs/dbraw/zinc/77/40/61/562774061.db2.gz	DZLGHSZAGSDOCB-VSGBNLITSA-N	2	2	744.938	1.522	1	5		KDBFLP
O=C1NCCC[NH+]2CCN(CCCn3c(=O)c4ccc5c(=O)n(c(=O)c6ccc(c3=O)c4c56)CCCN3CC[NH+](CCCNC(=O)c4ccc1cc4)CC3)CC2	ZINC000169338567	562860256	/nfs/dbraw/zinc/86/02/56/562860256.db2.gz	MQOXROULTDDCMM-UHFFFAOYSA-N	2	2	762.912	1.035	1	5		KDBFLP
C[NH+]1CCN(C(=O)COc2ccc3c(c2)oc2cc(OCC(=O)N4CC[NH+](C)CC4)ccc2c3=O)CC1	ZINC000653838506	562914814	/nfs/dbraw/zinc/91/48/14/562914814.db2.gz	IPJJMOIBXLLTTC-UHFFFAOYSA-N	2	2	508.575	1.252	1	5		KDBFLP
Cc1c(OCC(=O)N2CC[NH+](C)CC2)ccc2c(=O)c3ccc(OCC(=O)N4CC[NH+](C)CC4)cc3oc12	ZINC000653838516	562914775	/nfs/dbraw/zinc/91/47/75/562914775.db2.gz	KTLCYBQTRVJGRA-UHFFFAOYSA-N	2	2	522.602	1.560	1	5		KDBFLP