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	525935699	/nfs/dbraw/zinc/93/56/99/525935699.db2.gz	SSPOUHOPDPIYGP-AREMUKBSSA-N	2	1	480.628	4.537	50	10		JJCAMP
COCC[N@@H+](Cc1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000012151780	555924869	/nfs/dbraw/zinc/92/48/69/555924869.db2.gz	QERJOGYFLHAUHU-MUUNZHRXSA-N	2	1	489.660	4.768	50	10		JJCAMP
COc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)c1O	ZINC000022241853	555895492	/nfs/dbraw/zinc/89/54/92/555895492.db2.gz	BIDZQZMLGMXZDF-UHFFFAOYSA-N	2	1	499.655	4.547	50	10		JJCAMP
COCC[N@@H+](Cc1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000012151779	555924905	/nfs/dbraw/zinc/92/49/05/555924905.db2.gz	QERJOGYFLHAUHU-NDEPHWFRSA-N	2	1	489.660	4.768	50	10		JJCAMP
COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012152747	555927064	/nfs/dbraw/zinc/92/70/64/555927064.db2.gz	OTASOKXBDZEIJL-MUUNZHRXSA-N	2	1	489.660	4.768	50	10		JJCAMP
COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000014986687	523760518	/nfs/dbraw/zinc/76/05/18/523760518.db2.gz	AOMDZXOTIQBJCI-GDLZYMKVSA-N	2	1	489.660	4.768	50	10		JJCAMP
COCC[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000014986686	523761762	/nfs/dbraw/zinc/76/17/62/523761762.db2.gz	AOMDZXOTIQBJCI-LJAQVGFWSA-N	2	1	489.660	4.768	50	10		JJCAMP
COc1ccc(O)c(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000015008846	555852963	/nfs/dbraw/zinc/85/29/63/555852963.db2.gz	GOOBOKJDMDTNTP-MHZLTWQESA-N	2	1	480.628	4.537	50	10		JJCAMP
COc1ccc(O)c(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000015008843	555853025	/nfs/dbraw/zinc/85/30/25/555853025.db2.gz	GOOBOKJDMDTNTP-HHHXNRCGSA-N	2	1	480.628	4.537	50	10		JJCAMP
COc1cccc(O)c1C[NH+]1CCC([C@@H](Cc2ccc(F)cc2)[N@@H+](C)Cc2cn(C)nc2C)CC1	ZINC000014964562	526212958	/nfs/dbraw/zinc/21/29/58/526212958.db2.gz	RHEVDGJJLUKICC-AREMUKBSSA-N	2	1	480.628	4.537	50	10		JJCAMP
COc1cccc(O)c1C[NH+]1CCC([C@H](Cc2ccc(F)cc2)[N@@H+](C)Cc2cn(C)nc2C)CC1	ZINC000014964565	526213134	/nfs/dbraw/zinc/21/31/34/526213134.db2.gz	RHEVDGJJLUKICC-SANMLTNESA-N	2	1	480.628	4.537	50	10		JJCAMP
COc1ccc(O)c(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000012325780	524737648	/nfs/dbraw/zinc/73/76/48/524737648.db2.gz	HAWWMSFRGKBLIN-HHHXNRCGSA-N	2	1	480.628	4.537	50	10		JJCAMP
COCC[N@@H+](Cc1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000011910662	555858138	/nfs/dbraw/zinc/85/81/38/555858138.db2.gz	KTTSSHRRVQSBRK-LJAQVGFWSA-N	2	1	489.660	4.768	50	10		JJCAMP
COc1ccc(O)c(C[NH+]2CCC([C@H](Cc3ccc(F)cc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1	ZINC000012325785	524738184	/nfs/dbraw/zinc/73/81/84/524738184.db2.gz	HAWWMSFRGKBLIN-MHZLTWQESA-N	2	1	480.628	4.537	50	10		JJCAMP
COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000014992500	523760873	/nfs/dbraw/zinc/76/08/73/523760873.db2.gz	NSGXFDYTFPGVPR-MUUNZHRXSA-N	2	1	489.660	4.768	50	10		JJCAMP
COc1cccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1O	ZINC000014883094	525934938	/nfs/dbraw/zinc/93/49/38/525934938.db2.gz	SSPOUHOPDPIYGP-SANMLTNESA-N	2	1	480.628	4.537	50	10		JJCAMP
COCC[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000014992499	523760946	/nfs/dbraw/zinc/76/09/46/523760946.db2.gz	NSGXFDYTFPGVPR-NDEPHWFRSA-N	2	1	489.660	4.768	50	10		JJCAMP
COCC[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000012152746	555926979	/nfs/dbraw/zinc/92/69/79/555926979.db2.gz	OTASOKXBDZEIJL-NDEPHWFRSA-N	2	1	489.660	4.768	50	10		JJCAMP
COCC[N@@H+](Cc1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000011910663	555857978	/nfs/dbraw/zinc/85/79/78/555857978.db2.gz	KTTSSHRRVQSBRK-GDLZYMKVSA-N	2	1	489.660	4.768	50	10		JJCAMP
CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012039168	555891987	/nfs/dbraw/zinc/89/19/87/555891987.db2.gz	PWKMTMZADXNRPM-BVBLWJPBSA-N	2	1	451.684	4.623	50	10		JJCAMP
CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012039163	555892047	/nfs/dbraw/zinc/89/20/47/555892047.db2.gz	PWKMTMZADXNRPM-NKOINVLESA-N	2	1	451.684	4.623	50	10		JJCAMP
Cc1cc2c(n1-c1ccc(C(=O)NCCC[NH+]3CCC([NH+]4CCCCC4)CC3)cc1)CCCC2	ZINC000020532486	555802719	/nfs/dbraw/zinc/80/27/19/555802719.db2.gz	BKRAQBAHSYCEDB-UHFFFAOYSA-N	2	1	462.682	4.735	50	10		JJCAMP