smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]CCNc1nccc(C(F)(F)F)n1)c1cc(F)ccc1F	ZINC000159588166	531784893	/nfs/dbraw/zinc/78/48/93/531784893.db2.gz	FWNYWKULIPPPSL-UHFFFAOYSA-N	-1	1	382.314	2.164	20	70		GEIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC(F)(F)F)co1	ZINC000161301592	531829381	/nfs/dbraw/zinc/82/93/81/531829381.db2.gz	PRIUIYRAZFIOAJ-UHFFFAOYSA-N	-1	1	378.328	2.381	20	70		GEIDMM
C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@H](C)C1	ZINC000159662760	531790249	/nfs/dbraw/zinc/79/02/49/531790249.db2.gz	CPUNAWJGFQAACJ-NWDGAFQWSA-N	-1	1	378.491	2.254	20	70		GEIDMM
COCCOCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160145235	531808608	/nfs/dbraw/zinc/80/86/08/531808608.db2.gz	JYDYJFCODBZTOU-UHFFFAOYSA-N	-1	1	390.658	2.183	20	70		GEIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)o1	ZINC000161193783	531826028	/nfs/dbraw/zinc/82/60/28/531826028.db2.gz	LPBDIVOMPLDDJH-NSHDSACASA-N	-1	1	384.841	2.135	20	70		GEIDMM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1	ZINC000159934919	531799731	/nfs/dbraw/zinc/79/97/31/531799731.db2.gz	JVNCRMSDBBTYFH-NSHDSACASA-N	-1	1	375.368	2.131	20	70		GEIDMM
COC(=O)c1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Br)o1	ZINC000160110023	531806912	/nfs/dbraw/zinc/80/69/12/531806912.db2.gz	PRKLWTVDAXYLTE-UHFFFAOYSA-N	-1	1	378.244	2.297	20	70		GEIDMM
NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160871562	531818179	/nfs/dbraw/zinc/81/81/79/531818179.db2.gz	GBXKYVLRXQRFIY-XCBNKYQSSA-N	-1	1	399.669	2.174	20	70		GEIDMM
O=C(NCC1(CCO)CCC1)c1cc(I)ccc1[O-]	ZINC000160154388	531807781	/nfs/dbraw/zinc/80/77/81/531807781.db2.gz	TZQQHEWRHXIMKS-UHFFFAOYSA-N	-1	1	375.206	2.279	20	70		GEIDMM
O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1C(=O)N1CCSCC1	ZINC000161107811	531824521	/nfs/dbraw/zinc/82/45/21/531824521.db2.gz	PTZKTPFJRWEJKR-ZDUSSCGKSA-N	-1	1	399.310	2.335	20	70		GEIDMM
O=S(=O)([N-]C[C@H](O)COCC1CC1)c1c(Cl)cccc1C(F)(F)F	ZINC000160686848	531814746	/nfs/dbraw/zinc/81/47/46/531814746.db2.gz	XQAGWSLKOBKIDA-JTQLQIEISA-N	-1	1	387.807	2.425	20	70		GEIDMM
C[C@@H]1C[C@H](C)CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1	ZINC000159662617	531789670	/nfs/dbraw/zinc/78/96/70/531789670.db2.gz	CPUNAWJGFQAACJ-VXGBXAGGSA-N	-1	1	378.491	2.254	20	70		GEIDMM
CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(N)=O	ZINC000160551511	531810032	/nfs/dbraw/zinc/81/00/32/531810032.db2.gz	OUJTWCHUOQBOJR-SECBINFHSA-N	-1	1	387.658	2.030	20	70		GEIDMM
CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(=O)OC	ZINC000161006744	531822608	/nfs/dbraw/zinc/82/26/08/531822608.db2.gz	IAKQJWMLNLXGLI-VIFPVBQESA-N	-1	1	388.642	2.472	20	70		GEIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2OC(F)(F)F)co1	ZINC000161131721	531825875	/nfs/dbraw/zinc/82/58/75/531825875.db2.gz	WUHZRDMIJOTPAL-UHFFFAOYSA-N	-1	1	378.328	2.016	20	70		GEIDMM
CCc1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1CC	ZINC000160092518	531805826	/nfs/dbraw/zinc/80/58/26/531805826.db2.gz	GGNWSWACAHWJJG-UHFFFAOYSA-N	-1	1	382.507	2.401	20	70		GEIDMM
O=S(=O)([N-]CCSCCCO)c1cc(Br)c(F)cc1F	ZINC000161336534	531832371	/nfs/dbraw/zinc/83/23/71/531832371.db2.gz	SDYYFNRELQJQOO-UHFFFAOYSA-N	-1	1	390.271	2.121	20	70		GEIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Br)s2)co1	ZINC000159534460	531785303	/nfs/dbraw/zinc/78/53/03/531785303.db2.gz	NYCSIBMGGBZNFN-UHFFFAOYSA-N	-1	1	393.284	2.284	20	70		GEIDMM
COC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159827437	531796654	/nfs/dbraw/zinc/79/66/54/531796654.db2.gz	QTGNSUPQLSIJSR-UHFFFAOYSA-N	-1	1	388.642	2.472	20	70		GEIDMM
Cn1cc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cn1	ZINC000159985871	531801697	/nfs/dbraw/zinc/80/16/97/531801697.db2.gz	UTMCVHIRFADRHQ-UHFFFAOYSA-N	-1	1	396.669	2.496	20	70		GEIDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)N1CCCC1	ZINC000159761606	531793919	/nfs/dbraw/zinc/79/39/19/531793919.db2.gz	ZLFFUHOJFJQMBB-UHFFFAOYSA-N	-1	1	399.669	2.142	20	70		GEIDMM
CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(=O)OC	ZINC000161006864	531821827	/nfs/dbraw/zinc/82/18/27/531821827.db2.gz	IAKQJWMLNLXGLI-SECBINFHSA-N	-1	1	388.642	2.472	20	70		GEIDMM
COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000161082226	531823881	/nfs/dbraw/zinc/82/38/81/531823881.db2.gz	IAALLCKHMBOTNS-LURJTMIESA-N	-1	1	388.642	2.329	20	70		GEIDMM
O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1C(=O)N1CCSCC1	ZINC000161107704	531824369	/nfs/dbraw/zinc/82/43/69/531824369.db2.gz	PTZKTPFJRWEJKR-CYBMUJFWSA-N	-1	1	399.310	2.335	20	70		GEIDMM
CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000161058482	531824926	/nfs/dbraw/zinc/82/49/26/531824926.db2.gz	NJTBZUHYAJTUIN-UHFFFAOYSA-N	-1	1	379.381	2.449	20	70		GEIDMM
CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000160876070	531819242	/nfs/dbraw/zinc/81/92/42/531819242.db2.gz	IVEUVDZMBPQJFM-LBPRGKRZSA-N	-1	1	389.445	2.496	20	70		GEIDMM
CN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1=O	ZINC000160762573	531817436	/nfs/dbraw/zinc/81/74/36/531817436.db2.gz	ZEVKRPJZMNXYJO-QMMMGPOBSA-N	-1	1	399.669	2.141	20	70		GEIDMM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1	ZINC000159935340	531799672	/nfs/dbraw/zinc/79/96/72/531799672.db2.gz	XPKJWEKLASTRNK-LLVKDONJSA-N	-1	1	375.368	2.131	20	70		GEIDMM
O=S(=O)([N-]CCNc1nccc(C(F)(F)F)n1)c1cccc(F)c1F	ZINC000159590182	531785951	/nfs/dbraw/zinc/78/59/51/531785951.db2.gz	FIYTZPDTTDEXPL-UHFFFAOYSA-N	-1	1	382.314	2.164	20	70		GEIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[nH]n1	ZINC000159965620	531799276	/nfs/dbraw/zinc/79/92/76/531799276.db2.gz	QNDUBVJMOLGQRR-UHFFFAOYSA-N	-1	1	375.447	2.096	20	70		GEIDMM
CC(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159697398	531789651	/nfs/dbraw/zinc/78/96/51/531789651.db2.gz	UEVPFTUSJZIJQC-UHFFFAOYSA-N	-1	1	387.658	2.045	20	70		GEIDMM
CC(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159802277	531793457	/nfs/dbraw/zinc/79/34/57/531793457.db2.gz	NJNLASNFNNUXFK-UHFFFAOYSA-N	-1	1	387.658	2.046	20	70		GEIDMM
O=S(=O)([N-][C@@H]1C=C[C@H](CO)C1)c1c(Cl)cc(F)cc1Br	ZINC000160951936	531822924	/nfs/dbraw/zinc/82/29/24/531822924.db2.gz	QEIDSTWOZZMUGX-IONNQARKSA-N	-1	1	384.654	2.457	20	70		GEIDMM
Cc1cc(C)cc(-c2nnc([N-]C(=O)c3coc(S(N)(=O)=O)c3)s2)c1	ZINC000159831319	531796145	/nfs/dbraw/zinc/79/61/45/531796145.db2.gz	MXLWUDNSNASDOF-UHFFFAOYSA-N	-1	1	378.435	2.315	20	70		GEIDMM
CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1CC	ZINC000160062543	531804538	/nfs/dbraw/zinc/80/45/38/531804538.db2.gz	NJFDXUXENODHSU-UHFFFAOYSA-N	-1	1	386.470	2.399	20	70		GEIDMM
CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000161072935	531823487	/nfs/dbraw/zinc/82/34/87/531823487.db2.gz	OLERFNVKTNKBRB-VIFPVBQESA-N	-1	1	399.669	2.141	20	70		GEIDMM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1	ZINC000159934791	531800520	/nfs/dbraw/zinc/80/05/20/531800520.db2.gz	JVNCRMSDBBTYFH-LLVKDONJSA-N	-1	1	375.368	2.131	20	70		GEIDMM
CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000160876207	531819205	/nfs/dbraw/zinc/81/92/05/531819205.db2.gz	IVEUVDZMBPQJFM-GFCCVEGCSA-N	-1	1	389.445	2.496	20	70		GEIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)co1	ZINC000160127118	531806061	/nfs/dbraw/zinc/80/60/61/531806061.db2.gz	DBIFSMIPTMAALH-UHFFFAOYSA-N	-1	1	380.813	2.279	20	70		GEIDMM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1	ZINC000159935452	531800021	/nfs/dbraw/zinc/80/00/21/531800021.db2.gz	XPKJWEKLASTRNK-NSHDSACASA-N	-1	1	375.368	2.131	20	70		GEIDMM
COc1ccsc1S(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000160883745	531818032	/nfs/dbraw/zinc/81/80/32/531818032.db2.gz	CKXURRDYIQDOBQ-CYBMUJFWSA-N	-1	1	381.397	2.485	20	70		GEIDMM
CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159679746	531789317	/nfs/dbraw/zinc/78/93/17/531789317.db2.gz	RATFTMGOQXZDHE-UHFFFAOYSA-N	-1	1	387.658	2.046	20	70		GEIDMM
CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1	ZINC000161073023	531823851	/nfs/dbraw/zinc/82/38/51/531823851.db2.gz	OLERFNVKTNKBRB-SECBINFHSA-N	-1	1	399.669	2.141	20	70		GEIDMM
O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Br)c([O-])c1	ZINC000161193212	531825431	/nfs/dbraw/zinc/82/54/31/531825431.db2.gz	HOYAYPRUIDWACH-LBPRGKRZSA-N	-1	1	382.235	2.413	20	70		GEIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)o1	ZINC000161193880	531825505	/nfs/dbraw/zinc/82/55/05/531825505.db2.gz	LPBDIVOMPLDDJH-LLVKDONJSA-N	-1	1	384.841	2.135	20	70		GEIDMM
O=S(=O)([N-]CCn1ccnc1)c1c(Cl)cc(F)cc1Br	ZINC000159667879	531789347	/nfs/dbraw/zinc/78/93/47/531789347.db2.gz	OIAMOCFACHXCFT-UHFFFAOYSA-N	-1	1	382.642	2.417	20	70		GEIDMM
CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(N)=O	ZINC000160551375	531810126	/nfs/dbraw/zinc/81/01/26/531810126.db2.gz	OUJTWCHUOQBOJR-VIFPVBQESA-N	-1	1	387.658	2.030	20	70		GEIDMM
O=C(NC1(CO)CC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000160567577	531813351	/nfs/dbraw/zinc/81/33/51/531813351.db2.gz	LJAZEWVBUZAVRC-UHFFFAOYSA-N	-1	1	380.853	2.396	20	70		GEIDMM
O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1c(Cl)cccc1C(F)(F)F	ZINC000160686976	531815539	/nfs/dbraw/zinc/81/55/39/531815539.db2.gz	XQAGWSLKOBKIDA-SNVBAGLBSA-N	-1	1	387.807	2.425	20	70		GEIDMM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)NC)cc1Cl	ZINC000159759833	531793971	/nfs/dbraw/zinc/79/39/71/531793971.db2.gz	LUDLLZPAPYNYII-UHFFFAOYSA-N	-1	1	384.889	2.359	20	70		GEIDMM
COc1ccsc1S(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F	ZINC000160883882	531818373	/nfs/dbraw/zinc/81/83/73/531818373.db2.gz	CKXURRDYIQDOBQ-ZDUSSCGKSA-N	-1	1	381.397	2.485	20	70		GEIDMM
CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCC1=O	ZINC000160762449	531816862	/nfs/dbraw/zinc/81/68/62/531816862.db2.gz	ZEVKRPJZMNXYJO-MRVPVSSYSA-N	-1	1	399.669	2.141	20	70		GEIDMM
O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Br)c([O-])c1	ZINC000161193099	531826678	/nfs/dbraw/zinc/82/66/78/531826678.db2.gz	HOYAYPRUIDWACH-GFCCVEGCSA-N	-1	1	382.235	2.413	20	70		GEIDMM
COC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000161082356	531824617	/nfs/dbraw/zinc/82/46/17/531824617.db2.gz	IAALLCKHMBOTNS-ZCFIWIBFSA-N	-1	1	388.642	2.329	20	70		GEIDMM