smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000004102191	194377947	/nfs/dbraw/zinc/37/79/47/194377947.db2.gz	NZDASSHFKWDBBU-PDOICOKGSA-N	-1	0	454.504	2.008	10	0	in-man	JEAERM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@H](C)C(=O)[O-]	ZINC000004534260	519691053	/nfs/dbraw/zinc/69/10/53/519691053.db2.gz	JPPMVSNCFXDOJX-ILFPXHCISA-N	-1	0	471.506	2.405	10	0		JEAERM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O[C@H](C)C(=O)[O-]	ZINC000002522513	554232298	/nfs/dbraw/zinc/23/22/98/554232298.db2.gz	JPPMVSNCFXDOJX-IAOYDORTSA-N	-1	0	471.506	2.405	10	0		JEAERM
CSCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(=O)[O-]	ZINC000026478252	525589081	/nfs/dbraw/zinc/58/90/81/525589081.db2.gz	VROOSYIINWLKAC-DOMZBBRYSA-N	-1	0	479.418	2.172	10	0		JEAERM
Cc1ccc(C(=O)Nc2cnc(N3CCN(CC(=O)NC(C)(C)C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064979045	526227858	/nfs/dbraw/zinc/22/78/58/526227858.db2.gz	FVRBDPVLEGOGDW-UHFFFAOYSA-N	-1	0	453.543	2.377	10	0		JEAERM
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000009444553	555217616	/nfs/dbraw/zinc/21/76/16/555217616.db2.gz	QBQCGFKAVAGWOV-UHFFFAOYSA-N	-1	0	496.520	2.367	10	0		JEAERM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@@H]1C(=O)[O-])SCCS2	ZINC000011679121	555798700	/nfs/dbraw/zinc/79/87/00/555798700.db2.gz	HRWCVUIFMSZDJS-RYQLBKOJSA-N	-1	0	466.625	2.391	10	0	in-vitro	JEAERM
Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000032918309	556540942	/nfs/dbraw/zinc/54/09/42/556540942.db2.gz	PWSUMESDJPITAN-INIZCTEOSA-N	-1	0	462.528	2.156	10	0		JEAERM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(C)=O)OCO3)cc1	ZINC000001351271	562919928	/nfs/dbraw/zinc/91/99/28/562919928.db2.gz	RQEYLHYSCZXXFJ-UHFFFAOYSA-N	-1	0	454.526	2.449	10	0		JEAERM
CCC(C(=O)[C@@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715172	569873866	/nfs/dbraw/zinc/87/38/66/569873866.db2.gz	LDJOZKIBPSFPQI-RYUDHWBXSA-N	-1	0	472.523	2.106	10	0		JEAERM
CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)C(=O)[O-]	ZINC000026478025	525587525	/nfs/dbraw/zinc/58/75/25/525587525.db2.gz	JIQJLKSIQLKRIP-HNNXBMFYSA-N	-1	0	479.418	2.172	10	0		JEAERM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(N)=O)ccc1N1CCCC1	ZINC000013930215	563004860	/nfs/dbraw/zinc/00/48/60/563004860.db2.gz	QJPQVJOMCSZBIP-CQSZACIVSA-N	-1	0	461.544	2.092	10	0		JEAERM
CC(=O)N[C@@H]1[C@@H](O[C@@H](C)C(=O)[O-])[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1	ZINC000008834016	554731710	/nfs/dbraw/zinc/73/17/10/554731710.db2.gz	JPPMVSNCFXDOJX-VTRSPPGISA-N	-1	0	471.506	2.405	10	0	in-vitro	JEAERM
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c1	ZINC000025390194	556211884	/nfs/dbraw/zinc/21/18/84/556211884.db2.gz	MCNXDNNORIPXNM-UHFFFAOYSA-N	-1	0	492.941	2.417	10	0		JEAERM
CC(=O)N[C@@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1	ZINC000004422127	194389510	/nfs/dbraw/zinc/38/95/10/194389510.db2.gz	KBBGPRDVHUWBLB-UBTSVQAUSA-N	-1	0	457.479	2.017	10	0	in-vitro	JEAERM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21	ZINC000006577069	194431651	/nfs/dbraw/zinc/43/16/51/194431651.db2.gz	YQCMDUVJBCKDSW-UHFFFAOYSA-N	-1	0	461.515	2.091	10	0		JEAERM
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](O)C2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21	ZINC000077291914	521275625	/nfs/dbraw/zinc/27/56/25/521275625.db2.gz	KDTQGRXOXYWWGQ-RWKWUWFSSA-N	-1	0	470.603	2.271	10	0	in-vitro	JEAERM
CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)C(=O)[O-]	ZINC000026478006	522372101	/nfs/dbraw/zinc/37/21/01/522372101.db2.gz	MMHSUESKJSTQDG-WBMJQRKESA-N	-1	0	461.378	2.465	10	0		JEAERM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O[C@H](C)C(=O)[O-]	ZINC000002665343	554278282	/nfs/dbraw/zinc/27/82/82/554278282.db2.gz	JPPMVSNCFXDOJX-IVRFFKBSSA-N	-1	0	471.506	2.405	10	0		JEAERM
CCCCNC(=O)CN1CCN(c2ncc(NC(=O)c3ccccc3C)cc2C(=O)[O-])CC1	ZINC000064979032	520618338	/nfs/dbraw/zinc/61/83/38/520618338.db2.gz	JGWGMXZMWISKRA-UHFFFAOYSA-N	-1	0	453.543	2.379	10	0		JEAERM
CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077292749	569705716	/nfs/dbraw/zinc/70/57/16/569705716.db2.gz	ROQAUFRWFXOLOE-LJGAWZCMSA-N	-1	0	485.455	2.040	10	0	in-man	JEAERM
Cc1ccc(S(=O)(=O)[N-]NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(N)cc2)cc1	ZINC000048547556	569846459	/nfs/dbraw/zinc/84/64/59/569846459.db2.gz	MUBSCISCFXYAST-STZFKDTASA-N	-1	0	495.517	2.266	10	0		JEAERM
CCC(C(=O)[C@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715186	569873893	/nfs/dbraw/zinc/87/38/93/569873893.db2.gz	LDJOZKIBPSFPQI-NEPJUHHUSA-N	-1	0	472.523	2.106	10	0		JEAERM
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2[N-]S(=O)(=O)c2ccc(C)cc2)n[nH]1	ZINC000002974054	194190038	/nfs/dbraw/zinc/19/00/38/194190038.db2.gz	LDIQAOOKGIEKLK-UHFFFAOYSA-N	-1	0	484.563	2.400	10	0		JEAERM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O[C@H](C)C(=O)[O-]	ZINC000069593145	569693401	/nfs/dbraw/zinc/69/34/01/569693401.db2.gz	JPPMVSNCFXDOJX-UYDHTREMSA-N	-1	0	471.506	2.405	10	0		JEAERM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O[C@H](C)C(=O)[O-]	ZINC000206388948	569874651	/nfs/dbraw/zinc/87/46/51/569874651.db2.gz	JPPMVSNCFXDOJX-XLPSDDNCSA-N	-1	0	471.506	2.405	10	0		JEAERM
CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)c3ccccc3C(=O)[O-])n2)cc1	ZINC000005399543	554490390	/nfs/dbraw/zinc/49/03/90/554490390.db2.gz	UHFRFIMMEQYWQY-MYDTUXCISA-N	-1	0	489.532	2.285	10	0	biogenic	JEAERM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)[O-])SCCS2	ZINC000013519996	521062026	/nfs/dbraw/zinc/06/20/26/521062026.db2.gz	HRWCVUIFMSZDJS-JQHSSLGASA-N	-1	0	466.625	2.391	10	0	in-man	JEAERM
O=C([O-])[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1	ZINC000026477935	526271274	/nfs/dbraw/zinc/27/12/74/526271274.db2.gz	DNAAYOVYRZCZHU-CQSZACIVSA-N	-1	0	459.362	2.173	10	0		JEAERM
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CC[C@H](O)C[C@H](O)CC(=O)[O-]	ZINC000034934179	569673620	/nfs/dbraw/zinc/67/36/20/569673620.db2.gz	ZVPAUNJUMAQCNK-IRXDYDNUSA-N	-1	0	483.562	2.321	10	0		JEAERM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(C)onc3-c3ccccc3Cl)[C@H]2SC1	ZINC000004215249	194385147	/nfs/dbraw/zinc/38/51/47/194385147.db2.gz	OCLRGULJISNUQS-OXQOHEQNSA-N	-1	0	491.909	2.219	10	0	in-man	JEAERM
CC(=O)N[C@@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1	ZINC000004422129	194389547	/nfs/dbraw/zinc/38/95/47/194389547.db2.gz	KBBGPRDVHUWBLB-FXFDCJOKSA-N	-1	0	457.479	2.017	10	0		JEAERM
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)[C@H](C(=O)[O-])C1	ZINC000095086940	518810833	/nfs/dbraw/zinc/81/08/33/518810833.db2.gz	CYTJIYFRJYGZNV-VIFPVBQESA-N	-1	0	455.352	2.205	10	0		JEAERM
CC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)C(=O)[O-]	ZINC000026478235	519389585	/nfs/dbraw/zinc/38/95/85/519389585.db2.gz	LMYHPZBNQNCYDO-CJNGLKHVSA-N	-1	0	461.378	2.465	10	0		JEAERM
COc1cc2c(c(OC)c1OS(=O)(=O)[O-])-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000077286706	522994177	/nfs/dbraw/zinc/99/41/77/522994177.db2.gz	WOOCBMNRNKYWSA-HNNXBMFYSA-N	-1	0	465.480	2.045	10	0	in-vitro	JEAERM
CC(=O)N[C@@H]1[C@H](OCc2ccccc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O[C@H](C)C(=O)[O-]	ZINC000069593152	569693425	/nfs/dbraw/zinc/69/34/25/569693425.db2.gz	JPPMVSNCFXDOJX-BQELQPKBSA-N	-1	0	471.506	2.405	10	0		JEAERM
CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077292747	569705733	/nfs/dbraw/zinc/70/57/33/569705733.db2.gz	ROQAUFRWFXOLOE-LEZSPFLNSA-N	-1	0	485.455	2.040	10	0	in-man	JEAERM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc2cccc3c2c(c1)C(=O)NC3=O	ZINC000041124627	526304844	/nfs/dbraw/zinc/30/48/44/526304844.db2.gz	XPHLSGAZGXQGFX-IBGZPJMESA-N	-1	0	463.471	2.179	10	0		JEAERM
CC(=O)N[C@@H]1[C@@H](O[C@@H](C)C(=O)[O-])[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1	ZINC000008834017	554731770	/nfs/dbraw/zinc/73/17/70/554731770.db2.gz	JPPMVSNCFXDOJX-LRKXRBCLSA-N	-1	0	471.506	2.405	10	0	in-vitro	JEAERM
Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000032918307	556540949	/nfs/dbraw/zinc/54/09/49/556540949.db2.gz	PWSUMESDJPITAN-MRXNPFEDSA-N	-1	0	462.528	2.156	10	0		JEAERM
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@H](O)CC(=O)[O-]	ZINC000034934180	569673536	/nfs/dbraw/zinc/67/35/36/569673536.db2.gz	ZVPAUNJUMAQCNK-SJORKVTESA-N	-1	0	483.562	2.321	10	0		JEAERM
C/C(=C\C(=O)OCCCC/C=C/CCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O	ZINC000077312672	569705998	/nfs/dbraw/zinc/70/59/98/569705998.db2.gz	RJGJFSVDQPCELW-VCXQKUNESA-N	-1	0	498.613	2.369	10	0	in-vitro	JEAERM
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CC[C@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000147839586	569867897	/nfs/dbraw/zinc/86/78/97/569867897.db2.gz	ZVPAUNJUMAQCNK-DLBZAZTESA-N	-1	0	483.562	2.321	10	0		JEAERM
COc1cc2c(cc1OC)CN(C(=O)[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)[O-])[C@H](C(=O)[O-])C2	ZINC000003789196	194361602	/nfs/dbraw/zinc/36/16/02/194361602.db2.gz	CMPAGYDKASJORH-YSSFQJQWSA-N	-1	0	470.522	2.106	10	0	in-man	JEAERM
Cc1ccc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1	ZINC000012648158	195074700	/nfs/dbraw/zinc/07/47/00/195074700.db2.gz	UMRSCWINNMHQRC-UHFFFAOYSA-N	-1	0	484.534	2.216	10	0		JEAERM
CCCNC(=O)CN1CCN(c2ncc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1	ZINC000064979036	519877101	/nfs/dbraw/zinc/87/71/01/519877101.db2.gz	ALEDFQNAPRZFRW-UHFFFAOYSA-N	-1	0	459.934	2.334	10	0		JEAERM
O=C([O-])c1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(=O)c2ccccc21	ZINC000013120329	556332853	/nfs/dbraw/zinc/33/28/53/556332853.db2.gz	BRRFQBOTIFIWKR-UHFFFAOYSA-N	-1	0	458.356	2.333	10	0		JEAERM
CCCNC(=O)CN1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1	ZINC000034871953	563117151	/nfs/dbraw/zinc/11/71/51/563117151.db2.gz	ONVLIQRYGRODSS-UHFFFAOYSA-N	-1	0	459.934	2.334	10	0		JEAERM
CCC(C(=O)[C@@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715142	569873835	/nfs/dbraw/zinc/87/38/35/569873835.db2.gz	LDJOZKIBPSFPQI-NWDGAFQWSA-N	-1	0	472.523	2.106	10	0		JEAERM
O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)C1	ZINC000026478048	526272207	/nfs/dbraw/zinc/27/22/07/526272207.db2.gz	ZEYPERXTZIZTQC-ZIAGYGMSSA-N	-1	0	459.362	2.173	10	0		JEAERM
CCC(C(=O)[C@H](CC)Cc1c([O-])[nH]c(=O)[nH]c1=O)=C(O)C(=O)Nc1nc2ccc(C)cc2s1	ZINC000198715158	569873845	/nfs/dbraw/zinc/87/38/45/569873845.db2.gz	LDJOZKIBPSFPQI-VXGBXAGGSA-N	-1	0	472.523	2.106	10	0		JEAERM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc2cccc3c2c(c1)C(=O)NC3=O	ZINC000041124629	527648567	/nfs/dbraw/zinc/64/85/67/527648567.db2.gz	XPHLSGAZGXQGFX-LJQANCHMSA-N	-1	0	463.471	2.179	10	0		JEAERM
O=C([O-])c1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)c2ccccc21	ZINC000012549597	556029603	/nfs/dbraw/zinc/02/96/03/556029603.db2.gz	BWRKMMCJRWRXOM-UHFFFAOYSA-N	-1	0	484.534	2.298	10	0		JEAERM
Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000032918300	556540988	/nfs/dbraw/zinc/54/09/88/556540988.db2.gz	PURHEQAOEMKDNK-UHFFFAOYSA-N	-1	0	462.528	2.156	10	0		JEAERM
CCN1C(=O)C[C@@H](SC[C@@H](C)C(=O)N2C[C@@H](Sc3ccccc3)C[C@H]2C(=O)[O-])C1=O	ZINC000077320140	569706167	/nfs/dbraw/zinc/70/61/67/569706167.db2.gz	LBNKOWANPJZWMF-BSWAZPDLSA-N	-1	0	450.582	2.350	10	0	in-vitro	JEAERM
COC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@@H]1C(=O)[O-]	ZINC000038473030	569801409	/nfs/dbraw/zinc/80/14/09/569801409.db2.gz	UCAHFNGHGDOPKX-ORYQWCPZSA-N	-1	0	484.549	2.194	10	0	in-vitro	JEAERM
COc1cc2c(cc1OC)CN(C(=O)[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)[O-])[C@@H](C(=O)[O-])C2	ZINC000001890159	194152766	/nfs/dbraw/zinc/15/27/66/194152766.db2.gz	CMPAGYDKASJORH-RYGJVYDSSA-N	-1	0	470.522	2.106	10	0	in-vitro	JEAERM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000004102192	194377952	/nfs/dbraw/zinc/37/79/52/194377952.db2.gz	NZDASSHFKWDBBU-PFRQMTDMSA-N	-1	0	454.504	2.008	10	0	in-man	JEAERM
CCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(OC)cc3)C(=O)C=CC(=O)[O-])C2=O)cc1	ZINC000033850818	521036267	/nfs/dbraw/zinc/03/62/67/521036267.db2.gz	JXGRDOYDQFDWJJ-GHYICZDASA-N	-1	0	452.463	2.395	10	0		JEAERM
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028253117	563059015	/nfs/dbraw/zinc/05/90/15/563059015.db2.gz	DUWKBYISWFQIJY-YYWHXJBOSA-N	-1	0	467.522	2.104	10	0		JEAERM
CCN1C(=O)C[C@H](SC[C@@H](C)C(=O)N2C[C@@H](Sc3ccccc3)C[C@H]2C(=O)[O-])C1=O	ZINC000103600556	569836560	/nfs/dbraw/zinc/83/65/60/569836560.db2.gz	LBNKOWANPJZWMF-IWCQGFGOSA-N	-1	0	450.582	2.350	10	0	in-vitro	JEAERM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1CC2(C[C@H]1C(=O)[O-])SCCS2	ZINC000040434160	521062088	/nfs/dbraw/zinc/06/20/88/521062088.db2.gz	HRWCVUIFMSZDJS-NXHRZFHOSA-N	-1	0	466.625	2.391	10	0		JEAERM
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000033821292	569635540	/nfs/dbraw/zinc/63/55/40/569635540.db2.gz	ZVPAUNJUMAQCNK-IAGOWNOFSA-N	-1	0	483.562	2.321	10	0	in-vitro	JEAERM