smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1=O	ZINC000160483288	523989366	/nfs/dbraw/zinc/98/93/66/523989366.db2.gz	TVAYQSMQSKRTLG-VIFPVBQESA-N	-1	1	308.281	0.613	20	70		DCIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](CO)CC(C)C	ZINC000160687478	527116305	/nfs/dbraw/zinc/11/63/05/527116305.db2.gz	BOIHLEMKEGIZGX-LBPRGKRZSA-N	-1	1	320.393	0.705	20	70		DCIDMM
O=S(=O)([N-]c1ccn(-c2ccccc2)n1)N1CCOCC1	ZINC000161510740	527255022	/nfs/dbraw/zinc/25/50/22/527255022.db2.gz	MRPCJIVGMACHIA-UHFFFAOYSA-N	-1	1	308.363	0.861	20	70		DCIDMM
CC(C)(C)c1nsc([N-]c2cnn(CC(=O)NCCO)c2)n1	ZINC000159742832	396070342	/nfs/dbraw/zinc/07/03/42/396070342.db2.gz	IVFJWZYMTSVJPI-UHFFFAOYSA-N	-1	1	324.410	0.884	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C)[C@H]2C)co1	ZINC000159678721	522261261	/nfs/dbraw/zinc/26/12/61/522261261.db2.gz	QGTWWSKBVOEOJO-RKDXNWHRSA-N	-1	1	302.352	0.437	20	70		DCIDMM
O=C(NCCCc1nc(=O)[n-][nH]1)c1ccn(C2CCCC2)n1	ZINC000159844504	396071413	/nfs/dbraw/zinc/07/14/13/396071413.db2.gz	NYVCFTXPQYTSMY-UHFFFAOYSA-N	-1	1	304.354	0.772	20	70		DCIDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@]1(C)CCOC1	ZINC000160050616	158352538	/nfs/dbraw/zinc/35/25/38/158352538.db2.gz	VHKYPHBXYYCIFW-LLVKDONJSA-N	-1	1	303.340	0.044	20	70		DCIDMM
N#Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)F)n1	ZINC000460088896	268282625	/nfs/dbraw/zinc/28/26/25/268282625.db2.gz	CPGRABGDVKYVJL-UHFFFAOYSA-N	-1	1	307.328	0.384	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@H](C)O)C2)co1	ZINC000160962158	291239813	/nfs/dbraw/zinc/23/98/13/291239813.db2.gz	HTDQBXRBCIHSPQ-UWVGGRQHSA-N	-1	1	316.379	0.421	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCOCC(C)C)co1	ZINC000160414949	291238697	/nfs/dbraw/zinc/23/86/97/291238697.db2.gz	PYYIFBKSILWDIV-UHFFFAOYSA-N	-1	1	318.395	0.980	20	70		DCIDMM
N#Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)F)n1	ZINC000460098817	268282326	/nfs/dbraw/zinc/28/23/26/268282326.db2.gz	UMLJBKHVLBZSMF-UHFFFAOYSA-N	-1	1	321.355	0.774	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nccn2C)co1	ZINC000160129404	522257307	/nfs/dbraw/zinc/25/73/07/522257307.db2.gz	VRXBWBDOMXERCM-UHFFFAOYSA-N	-1	1	312.351	0.193	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCOCC2CC2)co1	ZINC000160229996	522265341	/nfs/dbraw/zinc/26/53/41/522265341.db2.gz	GZWNMPPRXPPCQK-UHFFFAOYSA-N	-1	1	316.379	0.734	20	70		DCIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CCO)C(C)C)o1	ZINC000160764703	522283372	/nfs/dbraw/zinc/28/33/72/522283372.db2.gz	UMISLVGYSDORLB-SECBINFHSA-N	-1	1	304.368	0.325	20	70		DCIDMM
CCc1ncc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)cn1	ZINC000160954539	522573999	/nfs/dbraw/zinc/57/39/99/522573999.db2.gz	KRSNKEKKPBAPTG-UHFFFAOYSA-N	-1	1	310.335	0.792	20	70		DCIDMM
CN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1=O	ZINC000160471606	523988589	/nfs/dbraw/zinc/98/85/89/523988589.db2.gz	PHJZXWOLBVGONT-ZETCQYMHSA-N	-1	1	308.281	0.613	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)nc2)co1	ZINC000161483239	291241824	/nfs/dbraw/zinc/24/18/24/291241824.db2.gz	ZJNKHWZFWORVRW-UHFFFAOYSA-N	-1	1	324.362	0.901	20	70		DCIDMM
CN1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCC1=O	ZINC000160051919	524025436	/nfs/dbraw/zinc/02/54/36/524025436.db2.gz	KHUCQRPQKATIGV-SECBINFHSA-N	-1	1	304.318	0.864	20	70		DCIDMM
O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)N1CCOCC1	ZINC000160272238	527255572	/nfs/dbraw/zinc/25/55/72/527255572.db2.gz	BYOBVVHTPGRTME-UHFFFAOYSA-N	-1	1	314.289	0.434	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)C2CC2)co1	ZINC000161285759	522268211	/nfs/dbraw/zinc/26/82/11/522268211.db2.gz	IJTUPMJVZOMJNJ-SNVBAGLBSA-N	-1	1	302.352	0.343	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C)[C@@H]2C)co1	ZINC000159678590	522261867	/nfs/dbraw/zinc/26/18/67/522261867.db2.gz	QGTWWSKBVOEOJO-IUCAKERBSA-N	-1	1	302.352	0.437	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)co1	ZINC000160962031	291239985	/nfs/dbraw/zinc/23/99/85/291239985.db2.gz	HTDQBXRBCIHSPQ-NXEZZACHSA-N	-1	1	316.379	0.421	20	70		DCIDMM
Cn1ccnc1CN1CCN(C(=O)c2ncccc2[O-])CC1	ZINC000217835039	395840639	/nfs/dbraw/zinc/84/06/39/395840639.db2.gz	XAKVOTMGSIGBFA-UHFFFAOYSA-N	-1	1	301.350	0.479	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2(CCOC)CC2)co1	ZINC000160362423	522260236	/nfs/dbraw/zinc/26/02/36/522260236.db2.gz	MZWLCIGTEMSCDG-UHFFFAOYSA-N	-1	1	316.379	0.734	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)CC(C)C)co1	ZINC000160711675	522266689	/nfs/dbraw/zinc/26/66/89/522266689.db2.gz	JXEZDVXETGKKBW-JTQLQIEISA-N	-1	1	304.368	0.325	20	70		DCIDMM
CN1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)CCC1=O	ZINC000160052051	524012938	/nfs/dbraw/zinc/01/29/38/524012938.db2.gz	KHUCQRPQKATIGV-VIFPVBQESA-N	-1	1	304.318	0.864	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)co1	ZINC000160962284	291240103	/nfs/dbraw/zinc/24/01/03/291240103.db2.gz	HTDQBXRBCIHSPQ-ZJUUUORDSA-N	-1	1	316.379	0.421	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncccc2F)co1	ZINC000161325089	291241493	/nfs/dbraw/zinc/24/14/93/291241493.db2.gz	FBHIWLXKNXEKNH-UHFFFAOYSA-N	-1	1	313.310	0.652	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2(CCO)CCC2)co1	ZINC000160479638	158354823	/nfs/dbraw/zinc/35/48/23/158354823.db2.gz	QOTNRXBJRUSFRZ-UHFFFAOYSA-N	-1	1	316.379	0.470	20	70		DCIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)C(C)C)o1	ZINC000160764848	522280408	/nfs/dbraw/zinc/28/04/08/522280408.db2.gz	UMISLVGYSDORLB-VIFPVBQESA-N	-1	1	304.368	0.325	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)co1	ZINC000160961913	291239763	/nfs/dbraw/zinc/23/97/63/291239763.db2.gz	HTDQBXRBCIHSPQ-VHSXEESVSA-N	-1	1	316.379	0.421	20	70		DCIDMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@]1(C)CCOC1	ZINC000160050754	158352654	/nfs/dbraw/zinc/35/26/54/158352654.db2.gz	VHKYPHBXYYCIFW-NSHDSACASA-N	-1	1	303.340	0.044	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C)[C@H]2C)co1	ZINC000159678456	522259787	/nfs/dbraw/zinc/25/97/87/522259787.db2.gz	QGTWWSKBVOEOJO-BDAKNGLRSA-N	-1	1	302.352	0.437	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(O)c2)co1	ZINC000160271828	291237951	/nfs/dbraw/zinc/23/79/51/291237951.db2.gz	ZYJGQLRMTKANGZ-UHFFFAOYSA-N	-1	1	324.358	0.866	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)C2CC2)co1	ZINC000161285617	522269088	/nfs/dbraw/zinc/26/90/88/522269088.db2.gz	IJTUPMJVZOMJNJ-JTQLQIEISA-N	-1	1	302.352	0.343	20	70		DCIDMM
CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C1=O	ZINC000160471714	523968198	/nfs/dbraw/zinc/96/81/98/523968198.db2.gz	PHJZXWOLBVGONT-SSDOTTSWSA-N	-1	1	308.281	0.613	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)CC(C)C)co1	ZINC000160711789	522268858	/nfs/dbraw/zinc/26/88/58/522268858.db2.gz	JXEZDVXETGKKBW-SNVBAGLBSA-N	-1	1	304.368	0.325	20	70		DCIDMM
CN1CC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1=O	ZINC000160483423	523967694	/nfs/dbraw/zinc/96/76/94/523967694.db2.gz	TVAYQSMQSKRTLG-SECBINFHSA-N	-1	1	308.281	0.613	20	70		DCIDMM
O=C(CNC(=O)c1cccnc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160803626	416009448	/nfs/dbraw/zinc/00/94/48/416009448.db2.gz	FFTQBPVHGSKJSO-UHFFFAOYSA-N	-1	1	314.227	0.587	20	70		DCIDMM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccn(C3CCCC3)n2)n1	ZINC000159684647	525283901	/nfs/dbraw/zinc/28/39/01/525283901.db2.gz	CSADOWZPKCKUDZ-UHFFFAOYSA-N	-1	1	324.366	0.772	20	70		DCIDMM
CS(=O)(=O)c1nnc(NC(=O)c2ccn(C3CCCC3)n2)[n-]1	ZINC000159684647	525283907	/nfs/dbraw/zinc/28/39/07/525283907.db2.gz	CSADOWZPKCKUDZ-UHFFFAOYSA-N	-1	1	324.366	0.772	20	70		DCIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CO)CC(C)C	ZINC000160687603	527115612	/nfs/dbraw/zinc/11/56/12/527115612.db2.gz	BOIHLEMKEGIZGX-GFCCVEGCSA-N	-1	1	320.393	0.705	20	70		DCIDMM
CCCCn1ncc(C(=O)NCCCc2nc(=O)[n-][nH]2)c1C	ZINC000159842615	529093758	/nfs/dbraw/zinc/09/37/58/529093758.db2.gz	DVKXONNNSBNMSI-UHFFFAOYSA-N	-1	1	306.370	0.766	20	70		DCIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C)[C@@H]2C)co1	ZINC000159678867	522260213	/nfs/dbraw/zinc/26/02/13/522260213.db2.gz	QGTWWSKBVOEOJO-DTWKUNHWSA-N	-1	1	302.352	0.437	20	70		DCIDMM