smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)OCc3ccccc3)ccc12	ZINC000060291806	554505154	/nfs/dbraw/zinc/50/51/54/554505154.db2.gz	DLELKZFCVLJXKZ-XZOQPEGZSA-N	2	0	621.699	0.927	50	30		KCEARP
Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc3ccccc3)ccc12	ZINC000060291807	554505256	/nfs/dbraw/zinc/50/52/56/554505256.db2.gz	DLELKZFCVLJXKZ-PKTZIBPZSA-N	2	0	621.699	0.927	50	30		KCEARP
NC(=[NH2+])NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1ccc([C@H](O)C(=NNC(N)=[NH2+])c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000198718735	571568727	/nfs/dbraw/zinc/56/87/27/571568727.db2.gz	ZUNKTBISFKRYPV-ACQKCODYSA-N	2	0	684.590	0.642	50	30		KCEARP
NC(=[NH2+])NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccc([C@@H](O)C(=NNC(N)=[NH2+])c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000198718751	571568686	/nfs/dbraw/zinc/56/86/86/571568686.db2.gz	ZUNKTBISFKRYPV-JVFQKXSQSA-N	2	0	684.590	0.642	50	30		KCEARP
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(NCC[NH+]1CCCC1)N2	ZINC000952865084	1066271790	/nfs/dbraw/zinc/27/17/90/1066271790.db2.gz	NQLRVSUIXOPRIJ-GRYUFTJMSA-N	2	0	550.708	0.690	50	30		KCEARP
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(NCC1CC[NH+](C)CC1)N2	ZINC000952865195	1066272539	/nfs/dbraw/zinc/27/25/39/1066272539.db2.gz	PEOYNLLEKIKKSX-OCDQVXHZSA-N	2	0	564.735	0.936	50	30		KCEARP