smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCC[NH+]2CCOCC2)c1=N	ZINC000002508765	554231511	/nfs/dbraw/zinc/23/15/11/554231511.db2.gz	OGBJIMXBNAITIM-UHFFFAOYSA-N	1	1	454.531	0.617	50	5		JCBAMO
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCC[NH+]1CCOCC1	ZINC000013464932	555401589	/nfs/dbraw/zinc/40/15/89/555401589.db2.gz	ZEKGNMABFCRSJL-KRWDZBQOSA-N	1	1	466.542	0.760	50	5		JCBAMO
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCC[NH+]1CCOCC1	ZINC000013464935	555401487	/nfs/dbraw/zinc/40/14/87/555401487.db2.gz	ZEKGNMABFCRSJL-QGZVFWFLSA-N	1	1	466.542	0.760	50	5		JCBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccccc3NC2=O)c(C)cc1[N+](=O)[O-]	ZINC000016009773	556108665	/nfs/dbraw/zinc/10/86/65/556108665.db2.gz	ZVKGSRZKGQUDRS-MMIUGGTDSA-N	1	1	479.449	0.712	50	5		JCBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O	ZINC000016011611	556110586	/nfs/dbraw/zinc/11/05/86/556110586.db2.gz	ZOYXZFQMZCDRLT-WBRFWCBQSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O	ZINC000016033644	556117628	/nfs/dbraw/zinc/11/76/28/556117628.db2.gz	ABXKHLXFUDCSFK-WBRFWCBQSA-N	1	1	465.422	0.404	50	5		JCBAMO
Cc1cccn2c1nc1c(cc(C(=O)N3CC[NH+](C)CC3)c(=N)n1CCN1CCOCC1)c2=O	ZINC000016732718	525468165	/nfs/dbraw/zinc/46/81/65/525468165.db2.gz	OIMNFIMAPFABQX-UHFFFAOYSA-N	1	1	465.558	0.157	50	5		JCBAMO
COCCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCC[NH+]2CCOCC2)c1=N	ZINC000016750708	523366573	/nfs/dbraw/zinc/36/65/73/523366573.db2.gz	WLVQZLPSNYLLOF-UHFFFAOYSA-N	1	1	468.558	0.926	50	5		JCBAMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(N4CC[NH+](CCO)CC4)nn3)CC2)cc1	ZINC000023006368	555999490	/nfs/dbraw/zinc/99/94/90/555999490.db2.gz	TTWBYUPCIBRQGA-UHFFFAOYSA-N	1	1	477.547	0.010	50	5		JCBAMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-]	ZINC000032802951	556497262	/nfs/dbraw/zinc/49/72/62/556497262.db2.gz	BQAOKHHMHAZRBG-IBGZPJMESA-N	1	1	499.590	0.976	50	5		JCBAMO
COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-]	ZINC000032802953	556497270	/nfs/dbraw/zinc/49/72/70/556497270.db2.gz	BQAOKHHMHAZRBG-LJQANCHMSA-N	1	1	499.590	0.976	50	5		JCBAMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000032863566	556515225	/nfs/dbraw/zinc/51/52/25/556515225.db2.gz	SVZGJUIRTVSALP-SFHVURJKSA-N	1	1	469.564	0.968	50	5		JCBAMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	ZINC000032863568	556515214	/nfs/dbraw/zinc/51/52/14/556515214.db2.gz	SVZGJUIRTVSALP-GOSISDBHSA-N	1	1	469.564	0.968	50	5		JCBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccccc3NC2=O)c(C)cc1[N+](=O)[O-]	ZINC000035851613	569716344	/nfs/dbraw/zinc/71/63/44/569716344.db2.gz	ZVKGSRZKGQUDRS-VMSMUOKLSA-N	1	1	479.449	0.712	50	5		JCBAMO
C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1	ZINC000040149300	569818790	/nfs/dbraw/zinc/81/87/90/569818790.db2.gz	GOBKZZGJUULFEY-KRWDZBQOSA-N	1	1	454.597	0.826	50	5		JCBAMO
C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1	ZINC000040149301	569818807	/nfs/dbraw/zinc/81/88/07/569818807.db2.gz	GOBKZZGJUULFEY-QGZVFWFLSA-N	1	1	454.597	0.826	50	5		JCBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000102885437	130366043	/nfs/dbraw/zinc/36/60/43/130366043.db2.gz	ABXKHLXFUDCSFK-UDBGPPTHSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000102890365	130371647	/nfs/dbraw/zinc/37/16/47/130371647.db2.gz	ZOYXZFQMZCDRLT-UDBGPPTHSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000245245135	570058800	/nfs/dbraw/zinc/05/88/00/570058800.db2.gz	ABXKHLXFUDCSFK-PLKIMXQSSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000245245137	570058791	/nfs/dbraw/zinc/05/87/91/570058791.db2.gz	ABXKHLXFUDCSFK-YQXROLDKSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000245247954	570059609	/nfs/dbraw/zinc/05/96/09/570059609.db2.gz	ZOYXZFQMZCDRLT-PLKIMXQSSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000245247955	570059586	/nfs/dbraw/zinc/05/95/86/570059586.db2.gz	ZOYXZFQMZCDRLT-YQXROLDKSA-N	1	1	465.422	0.404	50	5		JCBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](CC(N)=O)[NH2+][C@@]4(c5ccccc5NC4=O)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000245329505	570066279	/nfs/dbraw/zinc/06/62/79/570066279.db2.gz	ZVKGSRZKGQUDRS-DUZUVYIMSA-N	1	1	479.449	0.712	50	5		JCBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](CC(N)=O)[NH2+][C@]4(c5ccccc5NC4=O)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000245329508	570066346	/nfs/dbraw/zinc/06/63/46/570066346.db2.gz	ZVKGSRZKGQUDRS-MTILVRDISA-N	1	1	479.449	0.712	50	5		JCBAMO