smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]CCc1ccc(N)cc1	ZINC000013517976	374409288	/nfs/dbraw/zinc/40/92/88/374409288.db2.gz	WGYPRUBKNVDSJC-ZDUSSCGKSA-N	2	0	323.401	-0.396	10	30		DBEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CCC[C@@H](CC(N)=O)C1	ZINC000261736040	670827726	/nfs/dbraw/zinc/82/77/26/670827726.db2.gz	KAHJRJAVWVCQCT-QWHCGFSZSA-N	2	0	311.430	-0.520	10	30		DBEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C	ZINC000261681486	664109159	/nfs/dbraw/zinc/10/91/59/664109159.db2.gz	DENCABXLDJRRRD-NWANDNLSSA-N	2	0	309.458	-0.035	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNc1ccc(C[NH3+])cc1	ZINC000013517985	181857606	/nfs/dbraw/zinc/85/76/06/181857606.db2.gz	MCWPVZBUYYXHAR-NSHDSACASA-N	2	0	309.374	-0.239	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNc1cccc(C[NH3+])c1	ZINC000013517982	374409004	/nfs/dbraw/zinc/40/90/04/374409004.db2.gz	PSBOGDNWXSYPPJ-NSHDSACASA-N	2	0	309.374	-0.239	10	30		DBEERP
C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](N2CCOCC2)C1	ZINC000175520696	526371861	/nfs/dbraw/zinc/37/18/61/526371861.db2.gz	IQOJWHLPHMZPEG-GJZGRUSLSA-N	2	0	309.458	-0.080	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNc1ccccc1CC[NH3+]	ZINC000013517988	374409161	/nfs/dbraw/zinc/40/91/61/374409161.db2.gz	GVFOIXTVPJBFRA-LBPRGKRZSA-N	2	0	323.401	-0.197	10	30		DBEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000261961247	671153113	/nfs/dbraw/zinc/15/31/13/671153113.db2.gz	KFVGCBDWJSZITP-BZUAXINKSA-N	3	0	322.501	-0.120	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]CCc1ccncc1	ZINC000013518012	374408894	/nfs/dbraw/zinc/40/88/94/374408894.db2.gz	GMXZJOPNIZHAQE-LBPRGKRZSA-N	2	0	309.374	-0.583	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]CCc1ccccc1N	ZINC000013517970	374409093	/nfs/dbraw/zinc/40/90/93/374409093.db2.gz	UUWMPNWLGHAODZ-LBPRGKRZSA-N	2	0	323.401	-0.396	10	30		DBEERP
CN1CCO[C@@H](CNC(=O)NCCN2CCOC(C)(C)C2)C1	ZINC000329115878	378460054	/nfs/dbraw/zinc/46/00/54/378460054.db2.gz	NAJBVORDDNVIFR-ZDUSSCGKSA-N	2	0	314.430	-0.069	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNc1cccc(CC[NH3+])c1	ZINC000013517991	374409025	/nfs/dbraw/zinc/40/90/25/374409025.db2.gz	XKEXJCQCLMJQEB-LBPRGKRZSA-N	2	0	323.401	-0.197	10	30		DBEERP
C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C	ZINC000261681477	664109489	/nfs/dbraw/zinc/10/94/89/664109489.db2.gz	DENCABXLDJRRRD-BPLDGKMQSA-N	2	0	309.458	-0.035	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNc1ccc(CC[NH3+])cc1	ZINC000013517994	374409243	/nfs/dbraw/zinc/40/92/43/374409243.db2.gz	JJADHNQTHMUGOW-LBPRGKRZSA-N	2	0	323.401	-0.197	10	30		DBEERP
CC[N@@H+]1CCC[C@@H]1CN(C)C(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C	ZINC000261641914	285233047	/nfs/dbraw/zinc/23/30/47/285233047.db2.gz	DUWGBSXNTOQNJT-CVEARBPZSA-N	3	0	322.501	-0.022	10	30		DBEERP
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CN(C)CCO2)[N@H+](C)C1	ZINC000329129467	378460024	/nfs/dbraw/zinc/46/00/24/378460024.db2.gz	NUSSWKBNDHQVHS-MELADBBJSA-N	2	0	314.430	-0.118	10	30		DBEERP
C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CCOCC1	ZINC000329390469	544481513	/nfs/dbraw/zinc/48/15/13/544481513.db2.gz	UYXGCGSGMSBSJQ-ZIAGYGMSSA-N	2	0	313.446	-0.544	10	30		DBEERP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000261961246	671154147	/nfs/dbraw/zinc/15/41/47/671154147.db2.gz	KFVGCBDWJSZITP-ARFHVFGLSA-N	3	0	322.501	-0.120	10	30		DBEERP
CN1CCO[C@H](CNC(=O)NCCN2CCOC(C)(C)C2)C1	ZINC000329115877	378460109	/nfs/dbraw/zinc/46/01/09/378460109.db2.gz	NAJBVORDDNVIFR-CYBMUJFWSA-N	2	0	314.430	-0.069	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]CCc1cccc(N)c1	ZINC000013517973	374408643	/nfs/dbraw/zinc/40/86/43/374408643.db2.gz	JUCBPCYBZJHEEP-ZDUSSCGKSA-N	2	0	323.401	-0.396	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]CCc1ccccn1	ZINC000013518006	374408988	/nfs/dbraw/zinc/40/89/88/374408988.db2.gz	ZEOGTPSUGNOPIO-NSHDSACASA-N	2	0	309.374	-0.583	10	30		DBEERP
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CN(C)CCO2)[N@H+](C)C1	ZINC000329129466	378460564	/nfs/dbraw/zinc/46/05/64/378460564.db2.gz	NUSSWKBNDHQVHS-IHRRRGAJSA-N	2	0	314.430	-0.118	10	30		DBEERP
CC[N@@H+]1CCC[C@@H]1CN(C)C(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C	ZINC000261641921	285233074	/nfs/dbraw/zinc/23/30/74/285233074.db2.gz	DUWGBSXNTOQNJT-HZPDHXFCSA-N	3	0	322.501	-0.022	10	30		DBEERP
NC(=N[N+](=O)[O-])NCCC[C@H](N)C[NH2+]CCc1cccnc1	ZINC000013518009	374409530	/nfs/dbraw/zinc/40/95/30/374409530.db2.gz	HPQDVOLEJAWTBM-LBPRGKRZSA-N	2	0	309.374	-0.583	10	30		DBEERP