smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]12CC[C@@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCNCC1	ZINC000026399430	207313505	/nfs/dbraw/zinc/31/35/05/207313505.db2.gz	VWNKOTRIVOSAHS-XNPXOOOUSA-N	0	1	385.552	2.333	1	30		GEEFMN
Cn1c(=O)c(C#N)c(-c2ccco2)nc1N1CCN(Cc2ccccc2)CC1	ZINC000096911101	136187767	/nfs/dbraw/zinc/18/77/67/136187767.db2.gz	QCAROFOFGBIVNX-UHFFFAOYSA-N	0	1	375.432	2.234	1	30		GEEFMN
C=CCn1c(SCC(=O)Nc2ccccc2OC)nc([O-])c(CC)c1=O	ZINC000101719752	209140702	/nfs/dbraw/zinc/14/07/02/209140702.db2.gz	IWOQMZNYEZABMG-UHFFFAOYSA-N	0	1	375.450	2.437	3	30	aggregator	GEEFMN
C=CCn1c(SCC(=O)Nc2ccccc2OC)nc(O)c(CC)c1=O	ZINC000101719752	209140706	/nfs/dbraw/zinc/14/07/06/209140706.db2.gz	IWOQMZNYEZABMG-UHFFFAOYSA-N	0	1	375.450	2.437	3	30	aggregator	GEEFMN
C=C1C[C@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O	ZINC000103282165	209142244	/nfs/dbraw/zinc/14/22/44/209142244.db2.gz	ACFZVZBBXLGRFP-QFIPXVFZSA-N	0	1	389.411	2.306	1	30		GEEFMN
O=C(/C=C/c1ccc2c(c1)C(=O)NC1(CCN(Cc3ccccc3)CC1)O2)NO	ZINC000043208350	210808934	/nfs/dbraw/zinc/80/89/34/210808934.db2.gz	QNKGHYKEYDAGTJ-VQHVLOKHSA-N	0	1	393.443	2.320	1	30		GEEFMN
O=C1C=C[C@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O	ZINC000049777822	209194793	/nfs/dbraw/zinc/19/47/93/209194793.db2.gz	JDWKHDMGELDYEC-GOSISDBHSA-N	0	1	384.233	2.208	1	30		GEEFMN
NC(=O)CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1	ZINC000084620084	211171425	/nfs/dbraw/zinc/17/14/25/211171425.db2.gz	XMGCUYASPMBGEV-UHFFFAOYSA-N	0	1	392.459	2.042	1	30		GEEFMN
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3C#N)[nH]c12	ZINC000095592065	222358518	/nfs/dbraw/zinc/35/85/18/222358518.db2.gz	SDSBJTVHCYRVOW-UHFFFAOYSA-N	0	1	382.401	2.436	1	30		GEEFMN
CC(C)[C@@H]1C(=O)N(O)C(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000073165037	222268133	/nfs/dbraw/zinc/26/81/33/222268133.db2.gz	JVBFGGAYMSJQBZ-GOSISDBHSA-N	0	1	388.445	2.127	1	30		GEEFMN
C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCNCC1	ZINC000013733141	221285207	/nfs/dbraw/zinc/28/52/07/221285207.db2.gz	VWNKOTRIVOSAHS-XEAGOBSMSA-N	0	1	385.552	2.333	1	30		GEEFMN
COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1N1CCN(C)CC1	ZINC000013782736	221289774	/nfs/dbraw/zinc/28/97/74/221289774.db2.gz	SPABOTAGPDYZKL-UHFFFAOYSA-N	0	1	386.477	2.119	1	30		GEEFMN
O=c1[nH]c2ccc(C#CCN3CCC(O)(Cc4ccc(F)cc4)CC3)cc2[nH]1	ZINC000013813215	212097920	/nfs/dbraw/zinc/09/79/20/212097920.db2.gz	UORACTXCIWIDCR-UHFFFAOYSA-N	0	1	379.435	2.416	1	30		GEEFMN
O=C1NC(=O)[C@@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccccn2)S1	ZINC000003813952	212077900	/nfs/dbraw/zinc/07/79/00/212077900.db2.gz	IBRMEUZCEQSDDL-QGZVFWFLSA-N	0	1	390.417	2.116	1	30		GEEFMN
C=C(C)CN1CC[C@@]23c4c5c(OC)ccc4C[C@@H]1[C@]2(O)Cc1c[nH]nc1[C@@H]3O5	ZINC000026727433	212107620	/nfs/dbraw/zinc/10/76/20/212107620.db2.gz	KIKDBGIHSKQHMV-YPVJZLTNSA-N	0	1	379.460	2.284	1	30		GEEFMN