smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000005276196	717099608	/nfs/dbraw/zinc/09/96/08/717099608.db2.gz	ITJBREVQWVHROI-IOMROCGXSA-N	1	0	424.989	4.577	10	30		HJEERO
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000033374178	717121006	/nfs/dbraw/zinc/12/10/06/717121006.db2.gz	ITJBREVQWVHROI-WMQCIHAUSA-N	1	0	424.989	4.577	10	30		HJEERO
CCCCCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1	ZINC000102552335	559151068	/nfs/dbraw/zinc/15/10/68/559151068.db2.gz	AKVSXBHPOLJFPD-UHFFFAOYSA-N	1	0	409.534	4.913	10	30		HJEERO
C/C(CC(C)C)=N\CC[NH+](CC/N=C(\C)CC(C)C)C[C@@H](O)COc1ccccc1	ZINC000031361774	518473533	/nfs/dbraw/zinc/47/35/33/518473533.db2.gz	JSDNIAKHCKUYDD-AIQWBRPXSA-N	1	0	417.638	4.742	10	30		HJEERO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000005275369	717099242	/nfs/dbraw/zinc/09/92/42/717099242.db2.gz	ITJBREVQWVHROI-DUXKGJEZSA-N	1	0	424.989	4.577	10	30		HJEERO
CCCCCCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1	ZINC000095858539	520048372	/nfs/dbraw/zinc/04/83/72/520048372.db2.gz	BVAVJZIACKCFTI-UHFFFAOYSA-N	1	0	412.594	4.903	10	30		HJEERO
CCCCCCCCCC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1	ZINC000105628544	717147609	/nfs/dbraw/zinc/14/76/09/717147609.db2.gz	VCZGNGACTQGXCS-XMMPIXPASA-N	1	0	420.614	4.733	10	30		HJEERO
O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)Nc1cc(Cl)ccc1Cl	ZINC000048546078	569358674	/nfs/dbraw/zinc/35/86/74/569358674.db2.gz	WJXPGFTXVURICM-UHFFFAOYSA-O	1	0	411.312	4.923	10	30		HJEERO
COc1ccc([C@](C#N)(CCC[NH+]2CCN(c3ccccc3)CC2)C(C)C)cc1OC	ZINC000038559774	569363471	/nfs/dbraw/zinc/36/34/71/569363471.db2.gz	XKJATRBWMHVNPU-SANMLTNESA-N	1	0	421.585	4.724	10	30		HJEERO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000033374176	717120999	/nfs/dbraw/zinc/12/09/99/717120999.db2.gz	ITJBREVQWVHROI-UIFIKXQLSA-N	1	0	424.989	4.577	10	30		HJEERO
C=C[C@H]1C[N@+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000257362270	717178100	/nfs/dbraw/zinc/17/81/00/717178100.db2.gz	ZWXVYWVIUDLPJE-UUBVXUGQSA-N	1	0	415.557	4.888	10	30		HJEERO
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000005276211	717099404	/nfs/dbraw/zinc/09/94/04/717099404.db2.gz	ITJBREVQWVHROI-DZFGPLHGSA-N	1	0	424.989	4.577	10	30		HJEERO
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000005275385	717099485	/nfs/dbraw/zinc/09/94/85/717099485.db2.gz	ITJBREVQWVHROI-JRGCBEDISA-N	1	0	424.989	4.577	10	30		HJEERO
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000033374177	717121035	/nfs/dbraw/zinc/12/10/35/717121035.db2.gz	ITJBREVQWVHROI-YYWHXJBOSA-N	1	0	424.989	4.577	10	30		HJEERO
CC[NH+](CC)CCn1c2ccccc2nc1/N=C/c1cc(Br)ccc1O	ZINC000005408367	557651748	/nfs/dbraw/zinc/65/17/48/557651748.db2.gz	OBFVSCJGOGOFRG-HYARGMPZSA-N	1	0	415.335	4.597	10	30		HJEERO
C=CC(=O)OCC[N+](CC)(CC)C[C@@H](O)COCCCCCCCCCCCC	ZINC000111900205	717149268	/nfs/dbraw/zinc/14/92/68/717149268.db2.gz	BFLQPRZBKZLMSC-HSZRJFAPSA-N	1	0	414.651	4.871	10	30		HJEERO
C=C[C@@H]1C[N@+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000242750720	717163898	/nfs/dbraw/zinc/16/38/98/717163898.db2.gz	ZWXVYWVIUDLPJE-NLLWEJNXSA-N	1	0	415.557	4.888	10	30		HJEERO
CCCCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1	ZINC000102552367	559151060	/nfs/dbraw/zinc/15/10/60/559151060.db2.gz	WCUADLCXGZZLAY-UHFFFAOYSA-N	1	0	409.534	4.913	10	30		HJEERO
COc1ccc([C@@](C#N)(CCC[NH+]2CCN(c3ccccc3)CC2)C(C)C)cc1OC	ZINC000038559773	569363478	/nfs/dbraw/zinc/36/34/78/569363478.db2.gz	XKJATRBWMHVNPU-AREMUKBSSA-N	1	0	421.585	4.724	10	30		HJEERO
C=CC(=O)OCC[N+](CC)(CC)C[C@H](O)COCCCCCCCCCCCC	ZINC000111900207	717149018	/nfs/dbraw/zinc/14/90/18/717149018.db2.gz	BFLQPRZBKZLMSC-QHCPKHFHSA-N	1	0	414.651	4.871	10	30		HJEERO
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCOC(=O)c1ccc(Cl)cc1	ZINC000033374175	717121030	/nfs/dbraw/zinc/12/10/30/717121030.db2.gz	ITJBREVQWVHROI-QMMLZNLJSA-N	1	0	424.989	4.577	10	30		HJEERO
O=C(C[n+]1cn(Cc2ccccc2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1	ZINC000048546075	569358687	/nfs/dbraw/zinc/35/86/87/569358687.db2.gz	AANYYISVCUCHHM-UHFFFAOYSA-O	1	0	411.312	4.923	10	30		HJEERO
C=C[C@@H]1C[N@+]2(Cc3ccccc3)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000242750721	717163862	/nfs/dbraw/zinc/16/38/62/717163862.db2.gz	ZWXVYWVIUDLPJE-PXGVTTPYSA-N	1	0	415.557	4.888	10	30		HJEERO
C#CC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(Cc3c[nH]c4ccccc34)o2)C[C@H]1C(C)C	ZINC000035442665	518286978	/nfs/dbraw/zinc/28/69/78/518286978.db2.gz	GZJHNNYVBNWCEI-JTAQYXEDSA-N	1	0	416.569	4.762	10	30	biogenic	HJEERO
CCCCCCCCCC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1	ZINC000105628542	717147718	/nfs/dbraw/zinc/14/77/18/717147718.db2.gz	VCZGNGACTQGXCS-DEOSSOPVSA-N	1	0	420.614	4.733	10	30		HJEERO