smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCN1CCCC1)Nc1cccc2c1C(=O)c1c(NC(=O)CCN3CCCC3)cccc1C2=O	ZINC000027552750	563046048	/nfs/dbraw/zinc/04/60/48/563046048.db2.gz	OQJBQYCDWSVGRJ-UHFFFAOYSA-N	0	3	488.588	3.311	1	10		JGCFHN
CCOC(=O)c1cc2c(cc(OC)c([O-])c2C[NH+]2CCCC2)nc1C[S@](=O)c1ccccn1	ZINC000040379529	563137230	/nfs/dbraw/zinc/13/72/30/563137230.db2.gz	QGUOSMAQWACDSF-MGBGTMOVSA-N	0	3	469.563	3.424	1	10		JGCFHN
CCOC(=O)c1cc2c(cc(OC)c([O-])c2C[NH+]2CCCC2)nc1C[S@@](=O)c1ccccn1	ZINC000040379528	563137240	/nfs/dbraw/zinc/13/72/40/563137240.db2.gz	QGUOSMAQWACDSF-XIFFEERXSA-N	0	3	469.563	3.424	1	10		JGCFHN
c1ccc(Cn2nnnc2[C@@H](c2ccc(N3CCOCC3)cc2)N2CCCN(C3CCC3)CC2)cc1	ZINC000058582581	563207846	/nfs/dbraw/zinc/20/78/46/563207846.db2.gz	WKYCTQVNRAEEPL-HHHXNRCGSA-N	0	3	487.652	3.208	1	10		JGCFHN
CNC(=O)c1cccc2c1nc1cc(N)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1OC	ZINC000029347683	563101406	/nfs/dbraw/zinc/10/14/06/563101406.db2.gz	HLDJAOAMULWYBV-UHFFFAOYSA-N	0	3	465.535	3.454	1	10		JGCFHN
COc1ccc(N2CCOCC2)c2cc(C(=O)Nc3ccc(CN4CCC(O)CC4)cc3)oc21	ZINC000049051164	563200007	/nfs/dbraw/zinc/20/00/07/563200007.db2.gz	WJZOLYDKZBLMIO-UHFFFAOYSA-N	0	3	465.550	3.487	1	10		JGCFHN
C[C@@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2ccc4c(c2C3=O)C(=O)C[C@@](C)(O)C4)CC[C@@H]1[NH+](C)C	ZINC000015218284	560229415	/nfs/dbraw/zinc/22/94/15/560229415.db2.gz	VHNOLQAJFPFISB-SSWYXHOPSA-N	0	3	463.530	3.218	1	10	in-vitro	JGCFHN
O=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCCC3)ccc1C2=O	ZINC000013556226	562973721	/nfs/dbraw/zinc/97/37/21/562973721.db2.gz	CUZAYOMYKDAXQR-UHFFFAOYSA-N	0	3	488.588	3.311	1	10	in-vivo	JGCFHN
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)c(NC[C@@H](O)CO)c1	ZINC000027194761	563041133	/nfs/dbraw/zinc/04/11/33/563041133.db2.gz	ICHTXPOQRBYDHK-MRXNPFEDSA-N	0	3	452.536	3.268	1	10		JGCFHN
O=C1CNC(=O)N1CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026851181	563037375	/nfs/dbraw/zinc/03/73/75/563037375.db2.gz	CRSCDCDEFLIINF-UHFFFAOYSA-N	0	3	475.530	3.425	1	10		JGCFHN
O=C(CCN1CCCC1)Nc1ccc(NC(=O)CCN2CCCC2)c2c1C(=O)c1ccccc1C2=O	ZINC000027551878	563046067	/nfs/dbraw/zinc/04/60/67/563046067.db2.gz	MGGPLBNFKXWESS-UHFFFAOYSA-N	0	3	488.588	3.311	1	10		JGCFHN
COc1cc2c3c(n(CCCN(C)C)c(=O)c2cc1OC)-c1ccc(OCCN(C)C)cc1C3=O	ZINC000040423645	563142451	/nfs/dbraw/zinc/14/24/51/563142451.db2.gz	SHOPZVOCDKSTGK-UHFFFAOYSA-N	0	3	479.577	3.122	1	10		JGCFHN
COc1ccc(-c2c[nH]c3c2C(=O)c2c(c(CCN)cn2S(=O)(=O)c2ccc(C)cc2)C3=O)cc1	ZINC000045289470	563184698	/nfs/dbraw/zinc/18/46/98/563184698.db2.gz	CRTDLDYMKUZREC-UHFFFAOYSA-N	0	3	489.553	3.314	1	10		JGCFHN
O=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCC3)cc1C2=O	ZINC000013556217	562973746	/nfs/dbraw/zinc/97/37/46/562973746.db2.gz	AVCYWBDVOQIQGH-UHFFFAOYSA-N	0	3	488.588	3.311	1	10		JGCFHN
CN(C)CCNC(=O)c1cccc2c1nc1ccccc1c2Nc1ccc(S(N)(=O)=O)cc1	ZINC000031829827	563108535	/nfs/dbraw/zinc/10/85/35/563108535.db2.gz	NYGXRFGYCRYUOJ-UHFFFAOYSA-N	0	3	463.563	3.070	1	10		JGCFHN
O=C(CCN1CCCC1)Nc1cccc2c1C(=O)c1cccc(NC(=O)CCN3CCCC3)c1C2=O	ZINC000027551819	563046092	/nfs/dbraw/zinc/04/60/92/563046092.db2.gz	HWONLOQQZYLRBV-UHFFFAOYSA-N	0	3	488.588	3.311	1	10		JGCFHN
COc1ccc(N2CCN(CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1	ZINC000029123378	563094263	/nfs/dbraw/zinc/09/42/63/563094263.db2.gz	DYEKEPVWORAHNG-UHFFFAOYSA-N	0	3	497.599	3.223	1	10		JGCFHN
O=C(NCC[NH2+]CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc(O)c1[O-]	ZINC000001856882	562923575	/nfs/dbraw/zinc/92/35/75/562923575.db2.gz	UNLNFLGMEOHGGY-UHFFFAOYSA-N	0	3	484.556	3.453	1	10		JGCFHN
CCCCNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCCCC)ccc1C2=O	ZINC000040954852	563160655	/nfs/dbraw/zinc/16/06/55/563160655.db2.gz	FYPZVYMKSUFNRS-UHFFFAOYSA-N	0	3	464.566	3.118	1	10	in-vivo	JGCFHN
COc1ccc(-c2c[nH]c3c2C(=O)c2c(CCN)cn(S(=O)(=O)c4ccc(C)cc4)c2C3=O)cc1	ZINC000045290011	563184738	/nfs/dbraw/zinc/18/47/38/563184738.db2.gz	VWQXQJKLMMDOSY-UHFFFAOYSA-N	0	3	489.553	3.314	1	10		JGCFHN
CS(=O)(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000026850541	563037345	/nfs/dbraw/zinc/03/73/45/563037345.db2.gz	SYQHAASFZBKGIS-UHFFFAOYSA-N	0	3	470.576	3.423	1	10		JGCFHN
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc32)c(NC[C@H](O)CO)c1	ZINC000027194767	563041152	/nfs/dbraw/zinc/04/11/52/563041152.db2.gz	ICHTXPOQRBYDHK-INIZCTEOSA-N	0	3	452.536	3.268	1	10		JGCFHN