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)Sc1n[nH]c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)n1	ZINC000160931955	531821298	/nfs/dbraw/zinc/82/12/98/531821298.db2.gz	FLOQDOQMLNAQIY-UHFFFAOYSA-N	-1	0	382.446	2.431	20	70		GEIDRM
Cc1nnc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)s1	ZINC000159651681	531790532	/nfs/dbraw/zinc/79/05/32/531790532.db2.gz	VZJOPOIWMAXJEI-UHFFFAOYSA-N	-1	0	377.289	2.476	20	70		GEIDRM
COc1ccsc1S(=O)(=O)[N-]c1c(-c2nc(C3CC3)no2)cnn1C	ZINC000159576141	531786110	/nfs/dbraw/zinc/78/61/10/531786110.db2.gz	LRCMDRWVSHJTGJ-UHFFFAOYSA-N	-1	0	381.439	2.218	20	70		GEIDRM
O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1F	ZINC000159989354	531802741	/nfs/dbraw/zinc/80/27/41/531802741.db2.gz	ZJHZMLPMQCIMQS-GFCCVEGCSA-N	-1	0	377.796	2.336	20	70		GEIDRM
CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)cc1Cl	ZINC000161367068	531832231	/nfs/dbraw/zinc/83/22/31/531832231.db2.gz	RUPPWKHJSZLQSI-XYPYZODXSA-N	-1	0	378.853	2.267	20	70		GEIDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1	ZINC000159923934	531799199	/nfs/dbraw/zinc/79/91/99/531799199.db2.gz	FOWDBPVXSIYBCI-UHFFFAOYSA-N	-1	0	380.476	2.427	20	70		GEIDRM
CCn1cc(S(=O)(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)cn1	ZINC000160085184	531806039	/nfs/dbraw/zinc/80/60/39/531806039.db2.gz	YHNOCHDMJKLIAL-UHFFFAOYSA-N	-1	0	379.467	2.155	20	70		GEIDRM
Cn1cccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1=O	ZINC000160179232	531808123	/nfs/dbraw/zinc/80/81/23/531808123.db2.gz	QBAVVFMMJBBQCT-UHFFFAOYSA-N	-1	0	379.182	2.227	20	70		GEIDRM
CN1CCN(C(=O)c2cc(Br)c([O-])c(Br)c2)CC1	ZINC000160642457	531815260	/nfs/dbraw/zinc/81/52/60/531815260.db2.gz	PJQBQXYMJBRUST-UHFFFAOYSA-N	-1	0	378.064	2.305	20	70		GEIDRM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)c(F)c1	ZINC000160986361	531821720	/nfs/dbraw/zinc/82/17/20/531821720.db2.gz	QRBQICDMEXCVEJ-UHFFFAOYSA-N	-1	0	376.425	2.287	20	70		GEIDRM
COC(=O)CCNC(=O)c1cc(Br)c([O-])c(Br)c1	ZINC000161340225	531832503	/nfs/dbraw/zinc/83/25/03/531832503.db2.gz	JUZOIIHXJMHHCX-UHFFFAOYSA-N	-1	0	381.020	2.210	20	70		GEIDRM
COc1ccsc1S(=O)(=O)[N-]c1cc(C2CC2)nn1-c1ncccn1	ZINC000159717213	531792391	/nfs/dbraw/zinc/79/23/91/531792391.db2.gz	AFKDEXLCFSWNCX-UHFFFAOYSA-N	-1	0	377.451	2.411	20	70		GEIDRM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1	ZINC000159933804	531799735	/nfs/dbraw/zinc/79/97/35/531799735.db2.gz	JJCWLPQRAKLECW-LBPRGKRZSA-N	-1	0	375.368	2.131	20	70		GEIDRM
O=C1NCCc2ccc(S(=O)(=O)[N-]c3nnc(-c4ccsc4)s3)cc21	ZINC000159930667	531800049	/nfs/dbraw/zinc/80/00/49/531800049.db2.gz	RCMYGLKDOXISQB-UHFFFAOYSA-N	-1	0	392.487	2.353	20	70		GEIDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccccc21	ZINC000161093992	531823770	/nfs/dbraw/zinc/82/37/70/531823770.db2.gz	NZQXNFCEWHJEOO-UHFFFAOYSA-N	-1	0	379.463	2.240	20	70		GEIDRM
CCCCn1ncc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1C	ZINC000160174661	531807473	/nfs/dbraw/zinc/80/74/73/531807473.db2.gz	QBGMIONKMBZERL-UHFFFAOYSA-N	-1	0	389.474	2.335	20	70		GEIDRM
O=S(=O)([N-]CCNc1nccc(C(F)(F)F)n1)c1c(F)cccc1F	ZINC000159599434	531787755	/nfs/dbraw/zinc/78/77/55/531787755.db2.gz	DIQSZDAEKVEJQY-UHFFFAOYSA-N	-1	0	382.314	2.164	20	70		GEIDRM
CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1	ZINC000159765676	531793369	/nfs/dbraw/zinc/79/33/69/531793369.db2.gz	RDISTINLVPANSP-UHFFFAOYSA-N	-1	0	383.426	2.296	20	70		GEIDRM
COc1ccsc1S(=O)(=O)[N-]c1cc(C)nn1-c1cc(C)nc(C)n1	ZINC000159789421	531794248	/nfs/dbraw/zinc/79/42/48/531794248.db2.gz	OGBMYCIWQUUBHB-UHFFFAOYSA-N	-1	0	379.467	2.458	20	70		GEIDRM
C[C@@H](NC(=O)c1nc(=O)[nH][n-]1)c1nc(-c2ccc(Br)cc2)cs1	ZINC000160622633	531813328	/nfs/dbraw/zinc/81/33/28/531813328.db2.gz	ZFWAFDLWNIXVKB-SSDOTTSWSA-N	-1	0	394.254	2.475	20	70		GEIDRM
C[C@H](NC(=O)c1nc(=O)[nH][n-]1)c1nc(-c2ccc(Br)cc2)cs1	ZINC000160622501	531812008	/nfs/dbraw/zinc/81/20/08/531812008.db2.gz	ZFWAFDLWNIXVKB-ZETCQYMHSA-N	-1	0	394.254	2.475	20	70		GEIDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nnc(-c2ccccn2)s1	ZINC000159654718	531789800	/nfs/dbraw/zinc/78/98/00/531789800.db2.gz	ZWUULJPTJDIECS-UHFFFAOYSA-N	-1	0	378.483	2.259	20	70		GEIDRM
Cc1cccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1Br	ZINC000160764593	531817408	/nfs/dbraw/zinc/81/74/08/531817408.db2.gz	AATVFDCINITCKW-UHFFFAOYSA-N	-1	0	391.272	2.233	20	70		GEIDRM
CCCCc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)n[nH]1	ZINC000159965620	531799260	/nfs/dbraw/zinc/79/92/60/531799260.db2.gz	QNDUBVJMOLGQRR-UHFFFAOYSA-N	-1	0	375.447	2.096	20	70		GEIDRM
COC(=O)[C@H](C)NC(=O)c1cc(Br)c([O-])c(Br)c1	ZINC000161335086	531832470	/nfs/dbraw/zinc/83/24/70/531832470.db2.gz	FKUKJOLGZDYYGF-YFKPBYRVSA-N	-1	0	381.020	2.209	20	70		GEIDRM
CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccn(C)n2)c1	ZINC000160000961	531801792	/nfs/dbraw/zinc/80/17/92/531801792.db2.gz	OGWZKMVZUBKLLK-UHFFFAOYSA-N	-1	0	388.243	2.160	20	70		GEIDRM
COCCn1cc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cn1	ZINC000160056929	531804295	/nfs/dbraw/zinc/80/42/95/531804295.db2.gz	FRGHSRFBAZHNAH-UHFFFAOYSA-N	-1	0	396.213	2.371	20	70		GEIDRM
CCCCn1ncc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1C	ZINC000160183873	531807519	/nfs/dbraw/zinc/80/75/19/531807519.db2.gz	NWEKOGIYUNRXHL-UHFFFAOYSA-N	-1	0	385.511	2.337	20	70		GEIDRM
CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1	ZINC000160948329	531822453	/nfs/dbraw/zinc/82/24/53/531822453.db2.gz	GEXQXBXPGGAIDO-UHFFFAOYSA-N	-1	0	378.483	2.351	20	70		GEIDRM
CN(C)C(=O)CN(C)C(=O)c1cc(Br)c([O-])c(Br)c1	ZINC000161077527	531825001	/nfs/dbraw/zinc/82/50/01/531825001.db2.gz	IRWYBRAXGYLONK-UHFFFAOYSA-N	-1	0	394.063	2.077	20	70		GEIDRM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1	ZINC000159933678	531799433	/nfs/dbraw/zinc/79/94/33/531799433.db2.gz	JJCWLPQRAKLECW-GFCCVEGCSA-N	-1	0	375.368	2.131	20	70		GEIDRM
CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000160858047	531818127	/nfs/dbraw/zinc/81/81/27/531818127.db2.gz	RUKAOTVDJWHCJO-GFCCVEGCSA-N	-1	0	389.445	2.496	20	70		GEIDRM
CCCCn1ncc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1C	ZINC000160189010	531808695	/nfs/dbraw/zinc/80/86/95/531808695.db2.gz	VFLFTVQKTQTVRS-UHFFFAOYSA-N	-1	0	383.495	2.122	20	70		GEIDRM
CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2nnc3ccccn32)c1	ZINC000159600000	531787193	/nfs/dbraw/zinc/78/71/93/531787193.db2.gz	TUCVAJAKICHURD-UHFFFAOYSA-N	-1	0	396.270	2.359	20	70		GEIDRM
COCCn1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)n1	ZINC000160097649	531806560	/nfs/dbraw/zinc/80/65/60/531806560.db2.gz	OVADDKDNYHKYIL-UHFFFAOYSA-N	-1	0	396.213	2.371	20	70		GEIDRM
Cc1cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)ccc1Br	ZINC000160764723	531817503	/nfs/dbraw/zinc/81/75/03/531817503.db2.gz	NJVBMYGYFWRCGO-UHFFFAOYSA-N	-1	0	391.272	2.233	20	70		GEIDRM
COc1ccsc1S(=O)(=O)[N-]c1ccc(CCN2CCOCC2)cc1	ZINC000159619473	531788328	/nfs/dbraw/zinc/78/83/28/531788328.db2.gz	HIYMGLXEAQOPTK-UHFFFAOYSA-N	-1	0	382.507	2.432	20	70		GEIDRM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccncc2)c(F)c1Cl	ZINC000159519152	531786249	/nfs/dbraw/zinc/78/62/49/531786249.db2.gz	MOZSZSOIRYDPOV-UHFFFAOYSA-N	-1	0	375.784	2.450	20	70		GEIDRM
CC[NH+]1CCC([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)CC1	ZINC000160016275	531802513	/nfs/dbraw/zinc/80/25/13/531802513.db2.gz	RKLBKOVXNDHPNH-UHFFFAOYSA-N	-1	0	383.258	2.490	20	70		GEIDRM
CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000160857919	531818797	/nfs/dbraw/zinc/81/87/97/531818797.db2.gz	RUKAOTVDJWHCJO-LBPRGKRZSA-N	-1	0	389.445	2.496	20	70		GEIDRM
CCOC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2cnn(C)c2)c1	ZINC000160049450	531804351	/nfs/dbraw/zinc/80/43/51/531804351.db2.gz	NGMVSIXJMSZLGE-UHFFFAOYSA-N	-1	0	388.243	2.160	20	70		GEIDRM
COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1ccc(C(F)(F)F)cc1	ZINC000160790722	531816149	/nfs/dbraw/zinc/81/61/49/531816149.db2.gz	QCQAWODDLNYBQS-UHFFFAOYSA-N	-1	0	394.396	2.470	20	70		GEIDRM