smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](=O)NCO	101158717	166070864	/nfs/dbraw/zinc/07/08/64/166070864.db2.gz	BJNBRIBHKLJMAG-ONEGZZNKSA-N	1	3	90.082	-0.472	10	10		ABCEHO
C[N+](=O)NCO	4658580	166072829	/nfs/dbraw/zinc/07/28/29/166072829.db2.gz	BJNBRIBHKLJMAG-ARJAWSKDSA-N	1	3	90.082	-0.472	10	10	biogenic,in-vitro	ABCEHO
COC[O+]=NN(O)N1CCNCC1	39115404	168177490	/nfs/dbraw/zinc/17/74/90/168177490.db2.gz	XAJWGPZYEKRIDE-CSKARUKUSA-N	1	3	190.203	-0.695	10	10		ABCEHO
[NH3+]Cc1ccc([O-])c([C@@H]([NH3+])CO)c1	72197465	169223202	/nfs/dbraw/zinc/22/32/02/169223202.db2.gz	QSYPEEORBBHUEE-QMMMGPOBSA-N	1	3	182.223	-0.157	10	10		ABCEHO
[NH3+]Cc1ccc([O-])c([C@H]([NH3+])CO)c1	72197464	169223426	/nfs/dbraw/zinc/22/34/26/169223426.db2.gz	QSYPEEORBBHUEE-MRVPVSSYSA-N	1	3	182.223	-0.157	10	10		ABCEHO
NC[C@@H]([NH3+])c1cc(C[NH3+])ccc1[O-]	72200163	169223794	/nfs/dbraw/zinc/22/37/94/169223794.db2.gz	QOUYXXKIWITHAG-MRVPVSSYSA-N	1	3	181.239	-0.191	10	10		ABCEHO
NC[C@H]([NH3+])c1cc(C[NH3+])ccc1[O-]	72200164	169223804	/nfs/dbraw/zinc/22/38/04/169223804.db2.gz	QOUYXXKIWITHAG-QMMMGPOBSA-N	1	3	181.239	-0.191	10	10		ABCEHO
C[O+]=NN(O)N1CCNCC1	140398020	572206750	/nfs/dbraw/zinc/20/67/50/572206750.db2.gz	IALQDEWUOGLEBY-CLFYSBASSA-N	1	3	160.177	-0.670	10	10		ABCEHO
CC(=CN=NC(N)=[NH2+])N=NC(N)N	308100906	572728945	/nfs/dbraw/zinc/72/89/45/572728945.db2.gz	DPFUXOVZEJLFGL-GETBJLITSA-N	1	3	184.207	-0.819	10	10		ABCEHO
CC(=CN=NC(N)N)N=NC(N)=[NH2+]	308100906	572728948	/nfs/dbraw/zinc/72/89/48/572728948.db2.gz	DPFUXOVZEJLFGL-GETBJLITSA-N	1	3	184.207	-0.819	10	10		ABCEHO
CC(=CN=NC(N)=[NH2+])N=NC(N)N	308100905	572729850	/nfs/dbraw/zinc/72/98/50/572729850.db2.gz	DPFUXOVZEJLFGL-AQSYJBHYSA-N	1	3	184.207	-0.819	10	10		ABCEHO
CC(=CN=NC(N)N)N=NC(N)=[NH2+]	308100905	572729851	/nfs/dbraw/zinc/72/98/51/572729851.db2.gz	DPFUXOVZEJLFGL-AQSYJBHYSA-N	1	3	184.207	-0.819	10	10		ABCEHO