smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccc5ccccc5c4)c23)c1	ZINC000020503376	526705651	/nfs/dbraw/zinc/70/56/51/526705651.db2.gz	DRTMJXOVPWKHSS-BKMJKUGQSA-N	0	3	431.539	5.159	10	30		IKEEHN
CCCCCCCCNCc1cc(Br)cc(OC)c1OCc1ccccc1	ZINC000102553703	557303509	/nfs/dbraw/zinc/30/35/09/557303509.db2.gz	LPZFXLXGQLNVGK-UHFFFAOYSA-N	0	3	434.418	6.487	10	30		IKEEHN
CCCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1	ZINC000104319172	557324865	/nfs/dbraw/zinc/32/48/65/557324865.db2.gz	QDEBZRZSQYXTNF-UHFFFAOYSA-N	0	3	429.196	6.532	10	30		IKEEHN
Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(C#N)c2)C1	ZINC000008636130	291410584	/nfs/dbraw/zinc/41/05/84/291410584.db2.gz	YTSQXZBPYVVFHM-IFMALSPDSA-N	0	3	447.380	5.325	10	30	biogenic	IKEEHN
COCCNC(=O)c1ccc(OC2CCN(C/C(C)=C\c3ccccc3)CC2)c(Cl)c1	ZINC000064622121	522828616	/nfs/dbraw/zinc/82/86/16/522828616.db2.gz	VCCSYJWDYVAOPK-MNDPQUGUSA-N	0	3	442.987	5.238	10	30		IKEEHN
CCCCCCCCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC000104318880	557324890	/nfs/dbraw/zinc/32/48/90/557324890.db2.gz	HCPBGOBIHDCVOI-UHFFFAOYSA-N	0	3	438.439	7.421	10	30		IKEEHN
C=C[C@@](C)(O)CN(Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C1CCCCC1	ZINC000036205787	519299076	/nfs/dbraw/zinc/29/90/76/519299076.db2.gz	DXAVMHZQDFQPMF-RUZDIDTESA-N	0	3	437.609	5.032	10	30		IKEEHN
COC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1	ZINC000083318622	522859510	/nfs/dbraw/zinc/85/95/10/522859510.db2.gz	PTTHINUSKBXVQQ-UHFFFAOYSA-N	0	3	438.571	5.093	10	30		IKEEHN
CCCCCCCCCCCCCCCCCC(CC)(CC)NC(=O)CN(CC)CC	ZINC000103612608	557317029	/nfs/dbraw/zinc/31/70/29/557317029.db2.gz	LWJZTBNWUAFDEV-UHFFFAOYSA-N	0	3	438.785	8.265	10	30		IKEEHN
CCCCCCCCNCc1cc(Br)cc(Br)c1OCCC	ZINC000104466455	557326839	/nfs/dbraw/zinc/32/68/39/557326839.db2.gz	PHLQHGSUICELIE-UHFFFAOYSA-N	0	3	435.244	6.451	10	30		IKEEHN
C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cccs2)CC1	ZINC000014991749	568827830	/nfs/dbraw/zinc/82/78/30/568827830.db2.gz	YOSONDXCLYHCQJ-UHFFFAOYSA-N	0	3	445.057	5.851	10	30		IKEEHN
C=C[C@](C)(O)CN(Cc1nc(=O)c2c(-c3ccccc3C)csc2[nH]1)C1CCCCC1	ZINC000036205790	519304790	/nfs/dbraw/zinc/30/47/90/519304790.db2.gz	DXAVMHZQDFQPMF-VWLOTQADSA-N	0	3	437.609	5.032	10	30		IKEEHN
CCCCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1	ZINC000104319202	557325199	/nfs/dbraw/zinc/32/51/99/557325199.db2.gz	QILOELBXOZMPEG-UHFFFAOYSA-N	0	3	443.223	6.922	10	30		IKEEHN
C=CCNCc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	ZINC000020876353	518951998	/nfs/dbraw/zinc/95/19/98/518951998.db2.gz	NYKGYXAHLVRNOJ-UHFFFAOYSA-N	0	3	431.157	5.619	10	30		IKEEHN
Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2ccc(C#CC(C)(C)O)cc2)cc1	ZINC000012701820	525931972	/nfs/dbraw/zinc/93/19/72/525931972.db2.gz	HFSGYELFMPYKRW-VWLOTQADSA-N	0	3	427.592	5.106	10	30		IKEEHN
Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2ccc(C#CC(C)(C)O)cc2)cc1	ZINC000012701826	525932767	/nfs/dbraw/zinc/93/27/67/525932767.db2.gz	HFSGYELFMPYKRW-RUZDIDTESA-N	0	3	427.592	5.106	10	30		IKEEHN