smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=S)NC(=O)C1=CNNc1ccc(-n2ccnc2)n[nH+]1	ZINC000794701673	583302119	/nfs/dbraw/zinc/30/21/19/583302119.db2.gz	WGFHEKCXTWLWKJ-UHFFFAOYSA-N	1	0	330.333	-1.006	20	10		EACDRO
O=C(C(=O)C(=O)N1CC[NH2+]CC1)C(=O)N1CC[C@@H](c2cccnc2)C1	ZINC000843057437	583387927	/nfs/dbraw/zinc/38/79/27/583387927.db2.gz	DKFVRMYAQJRTCC-CYBMUJFWSA-N	1	0	344.371	-1.033	20	10		EACDRO
O=C(C(=O)C(=O)N1CC[NH2+]CC1)C(=O)N1CC[C@H](c2cccnc2)C1	ZINC000843057440	583387900	/nfs/dbraw/zinc/38/79/00/583387900.db2.gz	DKFVRMYAQJRTCC-ZDUSSCGKSA-N	1	0	344.371	-1.033	20	10		EACDRO
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(O)C[NH2+]C1	ZINC000852860042	583410840	/nfs/dbraw/zinc/41/08/40/583410840.db2.gz	IHEYEMNAMNJRJI-UHFFFAOYSA-N	1	0	339.417	-1.128	20	10		EACDRO
COc1ccc(-n2nnnc2C[NH2+][C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1	ZINC001020534031	668113581	/nfs/dbraw/zinc/11/35/81/668113581.db2.gz	TWWICRSFSYQUSK-MGCOHNPYSA-N	1	0	345.363	-1.107	20	10		EACDRO
COc1ccc(-n2nnnc2C[NH2+][C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1	ZINC001022636185	668379284	/nfs/dbraw/zinc/37/92/84/668379284.db2.gz	TWWICRSFSYQUSK-AOOOYVTPSA-N	1	0	345.363	-1.107	20	10		EACDRO
[NH3+]CCN(CCNC(=O)CN1C(=O)CSC1=S)N(O)N=O	ZINC001144853280	787474930	/nfs/dbraw/zinc/47/49/30/787474930.db2.gz	UXURKZQZXZSCEU-UHFFFAOYSA-N	1	0	336.399	-1.489	20	10		EACDRO
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2cccc(O)c2C1	ZINC001160873175	793580014	/nfs/dbraw/zinc/58/00/14/793580014.db2.gz	UHDDUSKQUGWCGU-CABZTGNLSA-N	1	0	334.376	-1.016	20	10		EACDRO
COc1ccc(-n2nnnc2C[NH2+]CCCNC(=O)C(N)=O)cc1	ZINC001165618881	793673546	/nfs/dbraw/zinc/67/35/46/793673546.db2.gz	FRMDKSDHPDCYIH-UHFFFAOYSA-N	1	0	333.352	-1.248	20	10		EACDRO
CS(=O)(=O)N(CC[NH3+])CC(=O)NCCc1cc(O)c(O)cc1O	ZINC001220115452	794247080	/nfs/dbraw/zinc/24/70/80/794247080.db2.gz	NQGTZPWPPZNSLP-UHFFFAOYSA-N	1	0	347.393	-1.318	20	10		EACDRO
CS(=O)(=O)N(CC[NH3+])CC(=O)NCC(=O)c1ccc(O)c(O)c1	ZINC001220490048	794301410	/nfs/dbraw/zinc/30/14/10/794301410.db2.gz	QNXCDHCLYGARBJ-UHFFFAOYSA-N	1	0	345.377	-1.383	20	10		EACDRO
CN(CC[NH3+])C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	ZINC001261482175	794783871	/nfs/dbraw/zinc/78/38/71/794783871.db2.gz	CSEFNVHHUHVERD-GFCCVEGCSA-N	1	0	332.360	-1.047	20	10		EACDRO
CN(CC[NH3+])C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	ZINC001261482176	794783544	/nfs/dbraw/zinc/78/35/44/794783544.db2.gz	CSEFNVHHUHVERD-LBPRGKRZSA-N	1	0	332.360	-1.047	20	10		EACDRO
CN(C)c1ccc(CNC(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1	ZINC001307928161	789149535	/nfs/dbraw/zinc/14/95/35/789149535.db2.gz	GKNNWWGTZWRCGL-KBPBESRZSA-N	1	0	347.419	-1.113	20	10		EACDRO
CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1	ZINC001307928167	789150307	/nfs/dbraw/zinc/15/03/07/789150307.db2.gz	GKNNWWGTZWRCGL-OKILXGFUSA-N	1	0	347.419	-1.113	20	10		EACDRO
CN(C)c1ccc(CNC(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1	ZINC001307928169	789149486	/nfs/dbraw/zinc/14/94/86/789149486.db2.gz	GKNNWWGTZWRCGL-ZIAGYGMSSA-N	1	0	347.419	-1.113	20	10		EACDRO