smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](C)CC1)=[NH+]2	ZINC000101771718	204022334	/nfs/dbraw/zinc/02/23/34/204022334.db2.gz	YWGJDMHPINTLKT-UHFFFAOYSA-N	2	2	345.490	4.166	1	0		EIAFLP
COc1ccccc1C[NH2+][C@@H]1[C@@H]2CC[NH2+][C@@]1(c1ccccc1)CC=C2C	ZINC000029344892	202185763	/nfs/dbraw/zinc/18/57/63/202185763.db2.gz	HMCACXWESDLLOQ-YMPZKCBVSA-N	2	2	348.490	4.008	1	0		EIAFLP
COc1ccc(-c2cc(NCC[NH+](C)C)c3ccccc3[nH+]2)cc1F	ZINC000028641436	202174518	/nfs/dbraw/zinc/17/45/18/202174518.db2.gz	PNCKIOYMUIWPGH-UHFFFAOYSA-N	2	2	339.414	4.023	1	0		EIAFLP
C[NH+](C)CC(C)(C)C[NH2+]Cc1coc(-c2ccc(C(C)(C)C)cc2)n1	ZINC000072183025	203182611	/nfs/dbraw/zinc/18/26/11/203182611.db2.gz	VEEOICYHHNQPTI-UHFFFAOYSA-N	2	2	343.515	4.317	1	0		EIAFLP
C[NH+](C)CCC[N@@H+]1CC=C2c3ccccc3C(c3ccccc3)=C2C1	ZINC000039223510	213233436	/nfs/dbraw/zinc/23/34/36/213233436.db2.gz	IUCMBTQHNPCJQC-UHFFFAOYSA-N	2	2	330.475	4.153	1	0		EIAFLP
C[NH+](C)CCC[N@H+]1CC=C2c3ccccc3C(c3ccccc3)=C2C1	ZINC000039223510	213233439	/nfs/dbraw/zinc/23/34/39/213233439.db2.gz	IUCMBTQHNPCJQC-UHFFFAOYSA-N	2	2	330.475	4.153	1	0		EIAFLP
C[NH+]1CCC(n2ccc3cc(NC(=[NH2+])c4cccs4)ccc32)CC1	ZINC000072105364	216009261	/nfs/dbraw/zinc/00/92/61/216009261.db2.gz	NWWYETOECIPWOT-UHFFFAOYSA-N	2	2	338.480	4.407	1	0		EIAFLP
COc1ccc(SC)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1	ZINC000022938138	212337618	/nfs/dbraw/zinc/33/76/18/212337618.db2.gz	ZNDUAKAGHPMVGL-ICSRJNTNSA-N	2	2	342.508	4.000	1	0		EIAFLP
c1oc(-c2cccc3ccccc32)nc1C[NH2+]CCC[NH+]1CCCC1	ZINC000072181586	216067432	/nfs/dbraw/zinc/06/74/32/216067432.db2.gz	ANUGAXCKIAFHFB-UHFFFAOYSA-N	2	2	335.451	4.070	1	0		EIAFLP
COc1cc2[nH+]c(-c3ccccc3)cc(-n3cc[nH+]c3)c2c(OC)c1	ZINC000098085123	219081130	/nfs/dbraw/zinc/08/11/30/219081130.db2.gz	TZSRESUMYOIXEO-UHFFFAOYSA-N	2	2	331.375	4.105	1	0		EIAFLP
COc1ccccc1[C@@H]1CC[C@@]2(CCC[NH2+][C@H]2c2ccccc2)[NH2+]C1	ZINC000038608167	213217474	/nfs/dbraw/zinc/21/74/74/213217474.db2.gz	BLYHUYRAYMAUST-BVYCBKJFSA-N	2	2	336.479	4.026	1	0		EIAFLP
C[NH+](C)CCCN1c2cccnc2Sc2c[nH+]c3ccccc3c21	ZINC000098082840	219081334	/nfs/dbraw/zinc/08/13/34/219081334.db2.gz	DTRJJUHICNSIKK-UHFFFAOYSA-N	2	2	336.464	4.184	1	0		EIAFLP
CCCCn1c2ccccc2c2ccnc(C[NH2+]CCC[NH+](C)C)c21	ZINC000072118543	216012529	/nfs/dbraw/zinc/01/25/29/216012529.db2.gz	JXRKIFYUDWZEFH-UHFFFAOYSA-N	2	2	338.499	4.031	1	0		EIAFLP
C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000101060936	219115014	/nfs/dbraw/zinc/11/50/14/219115014.db2.gz	QVIXLSYROOSFHA-OWZKRDHZSA-N	2	2	342.433	4.269	1	0		EIAFLP
C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000101060936	219115017	/nfs/dbraw/zinc/11/50/17/219115017.db2.gz	QVIXLSYROOSFHA-OWZKRDHZSA-N	2	2	342.433	4.269	1	0		EIAFLP
CC[NH+]1CCN(C2=[NH+]c3ccc(C)cc3CC=C2c2ccccc2)CC1	ZINC000101761892	219162681	/nfs/dbraw/zinc/16/26/81/219162681.db2.gz	KUIRSDFXZLUTMJ-UHFFFAOYSA-N	2	2	345.490	4.302	1	0		EIAFLP
CCCC[NH+](CCCC)CCC[NH2+]Cc1coc(-c2ccco2)n1	ZINC000072182960	216067643	/nfs/dbraw/zinc/06/76/43/216067643.db2.gz	IYWAAANVHCLDKG-UHFFFAOYSA-N	2	2	333.476	4.317	1	0		EIAFLP
C[NH+](C)CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]1	ZINC000013805866	560220521	/nfs/dbraw/zinc/22/05/21/560220521.db2.gz	GNBOIGBQIBQOIA-UHFFFAOYSA-N	2	2	333.479	4.279	1	0	in-vitro	EIAFLP
C[NH+](C)CCc1c[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]1	ZINC000013805866	560220523	/nfs/dbraw/zinc/22/05/23/560220523.db2.gz	GNBOIGBQIBQOIA-UHFFFAOYSA-N	2	2	333.479	4.279	1	0	in-vitro	EIAFLP
C[NH+](C)CCCn1ccc2cc(NC(=[NH2+])c3cccs3)ccc21	ZINC000072142825	216028139	/nfs/dbraw/zinc/02/81/39/216028139.db2.gz	VUJRFVYKJBJJOB-UHFFFAOYSA-N	2	2	326.469	4.092	1	0		EIAFLP