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@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000093432335	193249416	/nfs/dbraw/zinc/24/94/16/193249416.db2.gz	WRGUKXHZMQJHPG-LURJTMIESA-N	-2	1	322.264	2.057	10	30		DEEEML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1F	ZINC000563539140	406060755	/nfs/dbraw/zinc/06/07/55/406060755.db2.gz	NKCXRDCRQLGZCM-SECBINFHSA-N	-2	1	321.757	2.177	10	30		DEEEML
C=CCCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000291940838	404589991	/nfs/dbraw/zinc/58/99/91/404589991.db2.gz	YBYLANKDDDWYBQ-UHFFFAOYSA-N	-2	1	314.319	2.001	10	30		DEEEML
O=C([O-])c1cc(C(=O)/C=C\c2ccccc2O)c([O-])cc1O	ZINC000083326651	185222250	/nfs/dbraw/zinc/22/22/50/185222250.db2.gz	UUPGDVDSPBUICO-WAYWQWQTSA-N	-2	1	300.266	2.398	10	30		DEEEML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1F	ZINC000563539148	333622889	/nfs/dbraw/zinc/62/28/89/333622889.db2.gz	NKCXRDCRQLGZCM-VIFPVBQESA-N	-2	1	321.757	2.177	10	30		DEEEML
O=C([O-])c1cc(C(=O)/C=C/c2ccccc2O)c([O-])cc1O	ZINC000005846418	181289332	/nfs/dbraw/zinc/28/93/32/181289332.db2.gz	UUPGDVDSPBUICO-AATRIKPKSA-N	-2	1	300.266	2.398	10	30		DEEEML
C=CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000269284393	403127792	/nfs/dbraw/zinc/12/77/92/403127792.db2.gz	HHMRGQVHRZJAOV-UHFFFAOYSA-N	-2	1	313.375	2.490	10	30		DEEEML
C[C@H](C#N)S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-]	ZINC000088468646	185251927	/nfs/dbraw/zinc/25/19/27/185251927.db2.gz	LIDRFUQOWYBXPH-SECBINFHSA-N	-2	1	304.327	2.192	10	30		DEEEML
C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C(=O)[O-]	ZINC000090639403	185307615	/nfs/dbraw/zinc/30/76/15/185307615.db2.gz	XURXFXXCTKPQBV-LURJTMIESA-N	-2	1	322.264	2.057	10	30		DEEEML
O=C([O-])c1ccccc1N([O-])C(=O)c1ccccc1[N+](=O)[O-]	ZINC000001599210	304269236	/nfs/dbraw/zinc/26/92/36/304269236.db2.gz	BOHHKRBOPJDXEP-UHFFFAOYSA-N	-2	1	302.242	2.329	10	30		DEEEML
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000088468433	185252007	/nfs/dbraw/zinc/25/20/07/185252007.db2.gz	SLUNOVLRUOXNRB-QMMMGPOBSA-N	-2	1	302.739	2.082	10	30		DEEEML
C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000088469069	185251965	/nfs/dbraw/zinc/25/19/65/185251965.db2.gz	JBBKFQRRSVJQAQ-RXMQYKEDSA-N	-2	1	323.157	2.345	10	30		DEEEML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000568480825	406218556	/nfs/dbraw/zinc/21/85/56/406218556.db2.gz	OWHMPBQKOCCNHO-QMMMGPOBSA-N	-2	1	321.757	2.177	10	30		DEEEML
C=CCCS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC	ZINC000269281722	403127907	/nfs/dbraw/zinc/12/79/07/403127907.db2.gz	FVBATNOQNKASLQ-UHFFFAOYSA-N	-2	1	313.375	2.030	10	30		DEEEML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl	ZINC000515370655	406063275	/nfs/dbraw/zinc/06/32/75/406063275.db2.gz	IKUQYCGEJJLGCQ-ZETCQYMHSA-N	-2	1	309.796	2.099	10	30		DEEEML
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000088468437	185252053	/nfs/dbraw/zinc/25/20/53/185252053.db2.gz	SLUNOVLRUOXNRB-MRVPVSSYSA-N	-2	1	302.739	2.082	10	30		DEEEML
C[C@@H](C#N)S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-]	ZINC000088468645	185251858	/nfs/dbraw/zinc/25/18/58/185251858.db2.gz	LIDRFUQOWYBXPH-VIFPVBQESA-N	-2	1	304.327	2.192	10	30		DEEEML
C=CCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000564734086	341507916	/nfs/dbraw/zinc/50/79/16/341507916.db2.gz	CKXYAQRMGLXJMR-UHFFFAOYSA-N	-2	1	316.361	2.221	10	30		DEEEML
C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC000088471767	185251878	/nfs/dbraw/zinc/25/18/78/185251878.db2.gz	ZMJFPRZNFBRDPM-ZCFIWIBFSA-N	-2	1	322.264	2.057	10	30		DEEEML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000568480824	341672577	/nfs/dbraw/zinc/67/25/77/341672577.db2.gz	OWHMPBQKOCCNHO-MRVPVSSYSA-N	-2	1	321.757	2.177	10	30		DEEEML
C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1	ZINC000088471766	185252033	/nfs/dbraw/zinc/25/20/33/185252033.db2.gz	ZMJFPRZNFBRDPM-LURJTMIESA-N	-2	1	322.264	2.057	10	30		DEEEML
N#Cc1ccccc1CS(=O)(=O)[N-]c1ccc(F)cc1O	ZINC000111058822	194387601	/nfs/dbraw/zinc/38/76/01/194387601.db2.gz	AQTMCUIQUCHSID-UHFFFAOYSA-N	-2	1	306.318	2.345	10	30		DEEEML
CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)cc2[O-])cc1C#N	ZINC000488519052	406326580	/nfs/dbraw/zinc/32/65/80/406326580.db2.gz	PCWGRPVOVHBTBT-UHFFFAOYSA-N	-2	1	319.317	2.478	10	30		DEEEML
C/C(=N/[O-])c1csc([N-]S(=O)(=O)C2CCCCC2)n1	ZINC000080873250	192196254	/nfs/dbraw/zinc/19/62/54/192196254.db2.gz	WVYUUBLPAAIAEL-JYRVWZFOSA-N	-2	1	303.409	2.416	10	30		DEEEML
C/C(=N/[O-])c1csc([N-]S(=O)(=O)Cc2ccccc2)n1	ZINC000080873479	192197119	/nfs/dbraw/zinc/19/71/19/192197119.db2.gz	QQKNCLAVQVNOST-ZROIWOOFSA-N	-2	1	311.388	2.283	10	30		DEEEML
C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000093432336	193249872	/nfs/dbraw/zinc/24/98/72/193249872.db2.gz	WRGUKXHZMQJHPG-ZCFIWIBFSA-N	-2	1	322.264	2.057	10	30		DEEEML
C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C(=O)[O-]	ZINC000090639404	185307698	/nfs/dbraw/zinc/30/76/98/185307698.db2.gz	XURXFXXCTKPQBV-ZCFIWIBFSA-N	-2	1	322.264	2.057	10	30		DEEEML
C=CCCCS(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC	ZINC000291850961	404550827	/nfs/dbraw/zinc/55/08/27/404550827.db2.gz	ISALPTPGUOXHIJ-UHFFFAOYSA-N	-2	1	317.338	2.240	10	30		DEEEML
C=CC(C)(C)CCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000628316205	366807653	/nfs/dbraw/zinc/80/76/53/366807653.db2.gz	MLSGOCJPUBXWBR-UHFFFAOYSA-N	-2	1	316.361	2.077	10	30		DEEEML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sccc1Cl	ZINC000515370654	337987433	/nfs/dbraw/zinc/98/74/33/337987433.db2.gz	IKUQYCGEJJLGCQ-SSDOTTSWSA-N	-2	1	309.796	2.099	10	30		DEEEML
C#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753018344	639248283	/nfs/dbraw/zinc/24/82/83/639248283.db2.gz	MKCYCSYTNKBYHU-UHFFFAOYSA-N	-2	1	309.293	2.453	10	30		DEEEML
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000088468904	185252071	/nfs/dbraw/zinc/25/20/71/185252071.db2.gz	MIXZYROOGATBOK-MRVPVSSYSA-N	-2	1	302.739	2.082	10	30		DEEEML
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000088468901	185251987	/nfs/dbraw/zinc/25/19/87/185251987.db2.gz	MIXZYROOGATBOK-QMMMGPOBSA-N	-2	1	302.739	2.082	10	30		DEEEML
C=CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OCCC	ZINC000269292960	403128665	/nfs/dbraw/zinc/12/86/65/403128665.db2.gz	MCDAYTJCURYZJG-UHFFFAOYSA-N	-2	1	313.375	2.491	10	30		DEEEML
C=C(C)CS(=O)(=O)[N-]c1c(OCC)ccc(F)c1C(=O)[O-]	ZINC000571608339	333820152	/nfs/dbraw/zinc/82/01/52/333820152.db2.gz	BNUYQYQSNMQCLM-UHFFFAOYSA-N	-2	1	317.338	2.240	10	30		DEEEML
C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000088469066	185251925	/nfs/dbraw/zinc/25/19/25/185251925.db2.gz	JBBKFQRRSVJQAQ-YFKPBYRVSA-N	-2	1	323.157	2.345	10	30		DEEEML