smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)c1O	ZINC000014883092	525935692	/nfs/dbraw/zinc/93/56/92/525935692.db2.gz	SSPOUHOPDPIYGP-AREMUKBSSA-N	2	0	480.628	4.537	50	10		JJCARP
COCC[N@H+](Cc1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000012151780	555924866	/nfs/dbraw/zinc/92/48/66/555924866.db2.gz	QERJOGYFLHAUHU-MUUNZHRXSA-N	2	0	489.660	4.768	50	10		JJCARP
COCC[N@H+](Cc1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000012151779	555924902	/nfs/dbraw/zinc/92/49/02/555924902.db2.gz	QERJOGYFLHAUHU-NDEPHWFRSA-N	2	0	489.660	4.768	50	10		JJCARP
COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012152747	555927061	/nfs/dbraw/zinc/92/70/61/555927061.db2.gz	OTASOKXBDZEIJL-MUUNZHRXSA-N	2	0	489.660	4.768	50	10		JJCARP
COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000014986687	523760511	/nfs/dbraw/zinc/76/05/11/523760511.db2.gz	AOMDZXOTIQBJCI-GDLZYMKVSA-N	2	0	489.660	4.768	50	10		JJCARP
COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000014986686	523761754	/nfs/dbraw/zinc/76/17/54/523761754.db2.gz	AOMDZXOTIQBJCI-LJAQVGFWSA-N	2	0	489.660	4.768	50	10		JJCARP
COc1ccc(O)c(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000015008846	555852960	/nfs/dbraw/zinc/85/29/60/555852960.db2.gz	GOOBOKJDMDTNTP-MHZLTWQESA-N	2	0	480.628	4.537	50	10		JJCARP
COc1ccc(O)c(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000015008843	555853022	/nfs/dbraw/zinc/85/30/22/555853022.db2.gz	GOOBOKJDMDTNTP-HHHXNRCGSA-N	2	0	480.628	4.537	50	10		JJCARP
COc1cccc(O)c1C[NH+]1CCC([C@@H](Cc2ccc(F)cc2)[N@H+](C)Cc2cn(C)nc2C)CC1	ZINC000014964562	526212950	/nfs/dbraw/zinc/21/29/50/526212950.db2.gz	RHEVDGJJLUKICC-AREMUKBSSA-N	2	0	480.628	4.537	50	10		JJCARP
COc1cccc(O)c1C[NH+]1CCC([C@H](Cc2ccc(F)cc2)[N@H+](C)Cc2cn(C)nc2C)CC1	ZINC000014964565	526213128	/nfs/dbraw/zinc/21/31/28/526213128.db2.gz	RHEVDGJJLUKICC-SANMLTNESA-N	2	0	480.628	4.537	50	10		JJCARP
COc1ccc(O)c(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3)[N@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000012325780	524737637	/nfs/dbraw/zinc/73/76/37/524737637.db2.gz	HAWWMSFRGKBLIN-HHHXNRCGSA-N	2	0	480.628	4.537	50	10		JJCARP
COCC[N@H+](Cc1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000011910662	555858136	/nfs/dbraw/zinc/85/81/36/555858136.db2.gz	KTTSSHRRVQSBRK-LJAQVGFWSA-N	2	0	489.660	4.768	50	10		JJCARP
CCOc1ccc(C2=NCc3cc(C4=[NH+]Cc5cc(N6CC[NH+](C)CC6)ccc5N4)ccc3N2)cc1	ZINC000025782818	556234592	/nfs/dbraw/zinc/23/45/92/556234592.db2.gz	LARVTWLLJUQYBB-UHFFFAOYSA-N	2	0	480.616	4.582	50	10		JJCARP
COc1ccc(O)c(C[NH+]2CCC([C@H](Cc3ccc(F)cc3)[N@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000012325785	524738177	/nfs/dbraw/zinc/73/81/77/524738177.db2.gz	HAWWMSFRGKBLIN-MHZLTWQESA-N	2	0	480.628	4.537	50	10		JJCARP
COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000014992500	523760865	/nfs/dbraw/zinc/76/08/65/523760865.db2.gz	NSGXFDYTFPGVPR-MUUNZHRXSA-N	2	0	489.660	4.768	50	10		JJCARP
COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)c1O	ZINC000014883094	525934921	/nfs/dbraw/zinc/93/49/21/525934921.db2.gz	SSPOUHOPDPIYGP-SANMLTNESA-N	2	0	480.628	4.537	50	10		JJCARP
COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000014992499	523760939	/nfs/dbraw/zinc/76/09/39/523760939.db2.gz	NSGXFDYTFPGVPR-NDEPHWFRSA-N	2	0	489.660	4.768	50	10		JJCARP
COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012152746	555926976	/nfs/dbraw/zinc/92/69/76/555926976.db2.gz	OTASOKXBDZEIJL-NDEPHWFRSA-N	2	0	489.660	4.768	50	10		JJCARP
COCC[N@H+](Cc1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000011910663	555857974	/nfs/dbraw/zinc/85/79/74/555857974.db2.gz	KTTSSHRRVQSBRK-GDLZYMKVSA-N	2	0	489.660	4.768	50	10		JJCARP
CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012039168	555891984	/nfs/dbraw/zinc/89/19/84/555891984.db2.gz	PWKMTMZADXNRPM-BVBLWJPBSA-N	2	0	451.684	4.623	50	10		JJCARP
C[NH+](C)CCCNc1cc(N2CC[NH+](C3CCCCC3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000008603430	562945898	/nfs/dbraw/zinc/94/58/98/562945898.db2.gz	AENKLECMPIDNQO-UHFFFAOYSA-N	2	0	487.648	4.858	50	10		JJCARP
CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012039163	555892044	/nfs/dbraw/zinc/89/20/44/555892044.db2.gz	PWKMTMZADXNRPM-NKOINVLESA-N	2	0	451.684	4.623	50	10		JJCARP