smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3SC(=O)[N-]C3=O)cc21	ZINC000223481971	564040195	/nfs/dbraw/zinc/04/01/95/564040195.db2.gz	LYDLEVAZENYRLX-CXUHLZMHSA-N	-1	1	342.464	4.421	40	10		EICBMM
CCN1c2ccc(C=C3SC(=O)[N-]C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223532146	564040323	/nfs/dbraw/zinc/04/03/23/564040323.db2.gz	KDBZSMZWDAZKBC-ZRRZQRFHSA-N	-1	1	330.453	4.123	40	10		EICBMM
Cc1cccc2oc3cc([O-])c4c(c3c21)C(=O)c1ccccc1C4=O	ZINC000015109887	203284098	/nfs/dbraw/zinc/28/40/98/203284098.db2.gz	IQULIHQTQQBXAN-UHFFFAOYSA-N	-1	1	328.323	4.375	40	10		EICBMM
Cc1ccc(COc2ccccc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000015055777	564023955	/nfs/dbraw/zinc/02/39/55/564023955.db2.gz	DZFGYKHJPFXPBH-YBEGLDIGSA-N	-1	1	341.457	4.063	40	10		EICBMM
Cc1cc2c(cc1C=C1SC(=S)[N-]C1=O)C(C)=CC(C)(C)N2C	ZINC000208454910	241066941	/nfs/dbraw/zinc/06/69/41/241066941.db2.gz	VVHNONMZZHVBJK-OVCLIPMQSA-N	-1	1	344.505	4.116	40	10		EICBMM
Cc1cccc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1	ZINC000015055771	563774168	/nfs/dbraw/zinc/77/41/68/563774168.db2.gz	AYIRSLWTXZIWFY-YBEGLDIGSA-N	-1	1	341.457	4.063	40	10		EICBMM
CCN1c2ccc(C=C3SC(=O)[N-]C3=O)cc2[C@H](C)CC1(C)C	ZINC000208310139	564129709	/nfs/dbraw/zinc/12/97/09/564129709.db2.gz	KDBZSMZWDAZKBC-BTAWCLGRSA-N	-1	1	330.453	4.123	40	10		EICBMM
C[C@H]1CC(C)(C)N(C)c2ccc(C=C3SC(=S)[N-]C3=O)cc21	ZINC000108228612	563984254	/nfs/dbraw/zinc/98/42/54/563984254.db2.gz	CRXNDAIXBFJJAW-CEITULEQSA-N	-1	1	332.494	4.309	40	10		EICBMM
CCN1c2ccc(C=C3SC(=S)[N-]C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223532258	564040346	/nfs/dbraw/zinc/04/03/46/564040346.db2.gz	OUSXHOMNUZRQGX-ZRRZQRFHSA-N	-1	1	346.521	4.288	40	10		EICBMM
CCN1c2cc(C)c(C=C3SC(=O)[N-]C3=O)cc2[C@H](C)CC1(C)C	ZINC000208318308	564129727	/nfs/dbraw/zinc/12/97/27/564129727.db2.gz	KXLBGVGUFVEZCK-GFQQVXNGSA-N	-1	1	344.480	4.431	40	10		EICBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000408996341	564008708	/nfs/dbraw/zinc/00/87/08/564008708.db2.gz	DDBHVHZALTXIAG-SXGWCWSVSA-N	-1	1	342.489	4.200	40	10		EICBMM
CCN1c2ccc(C=C3SC(=S)[N-]C3=O)cc2[C@H](C)CC1(C)C	ZINC000208310520	564129716	/nfs/dbraw/zinc/12/97/16/564129716.db2.gz	OUSXHOMNUZRQGX-BTAWCLGRSA-N	-1	1	346.521	4.288	40	10		EICBMM
Cc1cc2c(cc1C=C1SC(=O)[N-]C1=O)[C@@H](C)CC(C)(C)N2C	ZINC000208233012	241066715	/nfs/dbraw/zinc/06/67/15/241066715.db2.gz	GLNDSXWADHLYFX-UXYFDLPDSA-N	-1	1	330.453	4.041	40	10		EICBMM
CCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2O)c([O-])c1	ZINC000001669820	563401645	/nfs/dbraw/zinc/40/16/45/563401645.db2.gz	HQXMQJIISUSHBT-UHFFFAOYSA-N	-1	1	342.483	4.381	40	10		EICBMM
CCN1c2cc(C)c(C=C3SC(=O)[N-]C3=O)cc2[C@@H](C)CC1(C)C	ZINC000223577291	564040393	/nfs/dbraw/zinc/04/03/93/564040393.db2.gz	KXLBGVGUFVEZCK-RGZVIEDOSA-N	-1	1	344.480	4.431	40	10		EICBMM
C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3SC(=S)[N-]C3=O)cc21	ZINC000108228607	563984273	/nfs/dbraw/zinc/98/42/73/563984273.db2.gz	CRXNDAIXBFJJAW-WWNSAXIVSA-N	-1	1	332.494	4.309	40	10		EICBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cccc(C)c1C	ZINC000408997320	564008752	/nfs/dbraw/zinc/00/87/52/564008752.db2.gz	NQQXAHTZMIWGMT-SXGWCWSVSA-N	-1	1	342.489	4.200	40	10		EICBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1c(C)cccc1C	ZINC000408996535	564008745	/nfs/dbraw/zinc/00/87/45/564008745.db2.gz	PWFCTGQBRBQCLH-DHDCSXOGSA-N	-1	1	342.489	4.200	40	10		EICBMM
Cc1cc2c(cc1C=C1SC(=S)[N-]C1=O)[C@H](C)CC(C)(C)N2C	ZINC000208233592	241066828	/nfs/dbraw/zinc/06/68/28/241066828.db2.gz	ZTBRLJRGAHMFGA-OXFWXOROSA-N	-1	1	346.521	4.206	40	10		EICBMM
O=C1/C(=C\c2ccc([O-])c(Cl)c2)SC(=S)N1c1ccccc1	ZINC000408902214	564007942	/nfs/dbraw/zinc/00/79/42/564007942.db2.gz	MALORNFERSVAAV-NTEUORMPSA-N	-1	1	347.848	4.451	40	10		EICBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000408997129	564008749	/nfs/dbraw/zinc/00/87/49/564008749.db2.gz	RLKBNOGBQDPISE-SXGWCWSVSA-N	-1	1	342.489	4.200	40	10		EICBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccccc1Cl	ZINC000408991743	564008697	/nfs/dbraw/zinc/00/86/97/564008697.db2.gz	PDPGLKBOIARINE-ZSOIEALJSA-N	-1	1	348.880	4.236	40	10		EICBMM
O=C1[N-]C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)S1	ZINC000103305752	219288083	/nfs/dbraw/zinc/28/80/83/219288083.db2.gz	FWGNIJGEUMAROS-DXMVAZHNSA-N	-1	1	325.349	4.132	40	10		EICBMM
O=S(=O)([O-])c1cc2ccccc2c(O)c1N=Nc1ccccc1	ZINC000004803983	210280240	/nfs/dbraw/zinc/28/02/40/210280240.db2.gz	SOFSEIQYPZMXEG-ISLYRVAYSA-N	-1	1	328.349	4.208	40	10		EICBMM
CCN1c2cc(C)c(C=C3SC(=O)[N-]C3=O)cc2C(C)=CC1(C)C	ZINC000208521507	535784865	/nfs/dbraw/zinc/78/48/65/535784865.db2.gz	ACAFGUNTHZKVKN-CXUHLZMHSA-N	-1	1	342.464	4.341	40	10		EICBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1c(C)cccc1C	ZINC000408812178	564007374	/nfs/dbraw/zinc/00/73/74/564007374.db2.gz	BSCYTSUTXUXSAB-DHDCSXOGSA-N	-1	1	326.421	4.035	40	10		EICBMM
CCN(CC)/N=N/c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000306293	563996734	/nfs/dbraw/zinc/99/67/34/563996734.db2.gz	YSDSIBPXGKIDAJ-CZIZESTLSA-N	-1	1	346.456	4.136	40	10		EICBMM
CCCOc1ccc2ccccc2c1C=C1SC(=S)[N-]C1=O	ZINC000211725649	563646437	/nfs/dbraw/zinc/64/64/37/563646437.db2.gz	AYWNNTYLSAPTIJ-XNTDXEJSSA-N	-1	1	329.446	4.117	40	10		EICBMM
O=C1[N-]C(=S)SC1=CC1=CC(=NNc2ccccc2)C=CC1=O	ZINC000103305787	219287821	/nfs/dbraw/zinc/28/78/21/219287821.db2.gz	KTPJNMCGSNXXTD-DXMVAZHNSA-N	-1	1	341.417	4.296	40	10		EICBMM
CCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1Cl	ZINC000408530018	563414473	/nfs/dbraw/zinc/41/44/73/563414473.db2.gz	KDHRSCQHLPIYGQ-POHAHGRESA-N	-1	1	348.276	4.271	40	10		EICBMM
O=S(=O)([O-])c1cc2ccccc2c(O)c1N=Nc1ccccc1	ZINC000104366312	219379883	/nfs/dbraw/zinc/37/98/83/219379883.db2.gz	SOFSEIQYPZMXEG-ZCXUNETKSA-N	-1	1	328.349	4.208	40	10		EICBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000408820838	564007436	/nfs/dbraw/zinc/00/74/36/564007436.db2.gz	ZJDKXNUDXJFUQB-SXGWCWSVSA-N	-1	1	326.421	4.035	40	10		EICBMM
Cc1cc2c(cc1C=C1SC(=O)[N-]C1=O)[C@H](C)CC(C)(C)N2C	ZINC000208232974	241067751	/nfs/dbraw/zinc/06/77/51/241067751.db2.gz	GLNDSXWADHLYFX-OXFWXOROSA-N	-1	1	330.453	4.041	40	10		EICBMM
CCc1cccc(C)c1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C	ZINC000408960042	257885411	/nfs/dbraw/zinc/88/54/11/257885411.db2.gz	IKJHEIUBJRQYRA-MHWRWJLKSA-N	-1	1	340.448	4.289	40	10		EICBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000002302304	564013327	/nfs/dbraw/zinc/01/33/27/564013327.db2.gz	LHUUGTIADJVUDI-RIYZIHGNSA-N	-1	1	332.812	4.071	40	10		EICBMM
O=C1c2ccccc2C(=O)c2c([O-])cc(Sc3ccccc3)cc21	ZINC000066089242	215008703	/nfs/dbraw/zinc/00/87/03/215008703.db2.gz	DTKWEEUBCYKYRE-UHFFFAOYSA-N	-1	1	332.380	4.319	40	10		EICBMM
Cc1cc2c(cc1C=C1SC(=S)[N-]C1=O)[C@@H](C)CC(C)(C)N2C	ZINC000208233629	241067205	/nfs/dbraw/zinc/06/72/05/241067205.db2.gz	ZTBRLJRGAHMFGA-UXYFDLPDSA-N	-1	1	346.521	4.206	40	10		EICBMM
CCN1c2ccc(C=C3SC(=O)[N-]C3=O)cc2C(C)=CC1(C)C	ZINC000208504714	241067902	/nfs/dbraw/zinc/06/79/02/241067902.db2.gz	IEDJNPBPVGULHY-OQLLNIDSSA-N	-1	1	328.437	4.032	40	10		EICBMM
Cc1c2ccccc2c(/C=C2/C(=O)[N-]C(=S)NC2=O)c2ccccc12	ZINC000039557476	563900479	/nfs/dbraw/zinc/90/04/79/563900479.db2.gz	SHGKFCUMBOGCCA-UHFFFAOYSA-N	-1	1	346.411	4.056	40	10		EICBMM
Cc1c2ccccc2c(/C=C2\C(=O)[N-]C(=S)NC2=O)c2ccccc12	ZINC000039557476	563900482	/nfs/dbraw/zinc/90/04/82/563900482.db2.gz	SHGKFCUMBOGCCA-UHFFFAOYSA-N	-1	1	346.411	4.056	40	10		EICBMM
Cc1c2ccccc2c(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc12	ZINC000039557476	563900484	/nfs/dbraw/zinc/90/04/84/563900484.db2.gz	SHGKFCUMBOGCCA-UHFFFAOYSA-N	-1	1	346.411	4.056	40	10		EICBMM