smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CN=C(Nc2ncccn2)NC1=O	ZINC000026578682	204852791	/nfs/dbraw/zinc/85/27/91/204852791.db2.gz	JFVJVIZOKQUZDG-NWDGAFQWSA-N	2	0	362.438	-0.952	1	0		FBAFRP
NC(=[NH2+])c1cccc(O[C@@H]2N=C(Oc3cccc(C(N)=[NH2+])n3)CNC2=O)c1	ZINC000029472254	581097314	/nfs/dbraw/zinc/09/73/14/581097314.db2.gz	PWTAVJTYNIFGIS-KRWDZBQOSA-N	2	0	367.369	-0.038	1	0		FBAFRP
NC(=[NH2+])c1cccc(O[C@H]2N=C(Oc3cccc(C(N)=[NH2+])n3)CNC2=O)c1	ZINC000036140590	581097235	/nfs/dbraw/zinc/09/72/35/581097235.db2.gz	PWTAVJTYNIFGIS-QGZVFWFLSA-N	2	0	367.369	-0.038	1	0		FBAFRP
OC[C@H]1[NH2+][C@H](CCCCCC[C@H](O)[C@@H](O)[C@H]2CCCC[NH2+]2)[C@@H](O)[C@@H]1O	ZINC000039031116	291025161	/nfs/dbraw/zinc/02/51/61/291025161.db2.gz	ZKIXVIVMKROOOR-DOLDXLAHSA-N	2	0	360.495	-0.755	1	0	biogenic,in-vitro	FBAFRP
C[N@H+](C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](F)[C@@H]1O	ZINC000040980130	205086530	/nfs/dbraw/zinc/08/65/30/205086530.db2.gz	NPGZZLCILZSYOC-UNCBZGBMSA-N	2	0	351.386	-0.548	1	0		FBAFRP
CC1(C)[NH+]=C(N)NC(=N)N1OCCCCON1C(=N)NC(N)=[NH+]C1(C)C	ZINC000045323241	205119988	/nfs/dbraw/zinc/11/99/88/205119988.db2.gz	FOJSNUKNLMIKPV-UHFFFAOYSA-N	2	0	368.446	-0.589	1	0		FBAFRP
NC(=[NH2+])NCCCCCCC(=O)N[C@@H](O)C[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000071332307	208763297	/nfs/dbraw/zinc/76/32/97/208763297.db2.gz	BLUYEPLOXLPVCJ-INIZCTEOSA-N	4	0	373.546	-0.837	1	0		FBAFRP
Nc1nccnc1C(=O)Nc1c[nH+]ccc1N1CCN(C(=O)C[NH3+])CC1	ZINC000103237655	132237306	/nfs/dbraw/zinc/23/73/06/132237306.db2.gz	PKIUWBSGVDRYIK-UHFFFAOYSA-N	2	0	356.390	-0.687	1	0		FBAFRP
Nc1nccnc1C(=O)Nc1c[nH+]ccc1N1CCN(C(=O)CC[NH3+])CC1	ZINC000103237657	132237154	/nfs/dbraw/zinc/23/71/54/132237154.db2.gz	RXDFGEFKYADZNK-UHFFFAOYSA-N	2	0	370.417	-0.297	1	0		FBAFRP
[NH3+]CCCC[C@H]([NH3+])c1cn([C@@H](CCC(=O)[O-])C(=O)N2CC[NH2+]CC2)nn1	ZINC000036386743	205013265	/nfs/dbraw/zinc/01/32/65/205013265.db2.gz	OODKKERUMDHHBO-JSGCOSHPSA-N	2	0	367.454	-0.755	3	0		FBAFRP