smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc(N3CCCC3)cc2)cn1C	ZINC000058264800	205171446	/nfs/dbraw/zinc/17/14/46/205171446.db2.gz	JTKCYNRJKALBFF-UHFFFAOYSA-N	-1	3	391.497	0.923	50	10		GCCAHM
CCN(CC)CCNNC=C1C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000020391916	570254033	/nfs/dbraw/zinc/25/40/33/570254033.db2.gz	XSUJPMGGKYABEH-DTQAZKPQSA-N	-1	3	391.447	0.971	50	10		GCCAHM
CN1CCN(NC=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)CC1	ZINC000001264576	570951341	/nfs/dbraw/zinc/95/13/41/570951341.db2.gz	SNKQLJNPEYLMSE-NTCAYCPXSA-N	-1	3	375.404	0.923	50	10		GCCAHM
COC(=O)CN(Cc1cc(Cl)ccc1[O-])S(=O)(=O)CCS(C)(=O)=O	ZINC000095461889	211244305	/nfs/dbraw/zinc/24/43/05/211244305.db2.gz	MRHXFIJLFUMINO-UHFFFAOYSA-N	-1	3	399.874	0.395	50	10		GCCAHM
Cc1ccccc1N1C(=O)C(=CNCCCN2CCOCC2)C(=O)[N-]C1=S	ZINC000020292397	210326706	/nfs/dbraw/zinc/32/67/06/210326706.db2.gz	QJCZWJGKKQZQLM-FYWRMAATSA-N	-1	3	388.493	0.939	50	10		GCCAHM
CN1CCN(NC=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)CC1	ZINC000002594131	570291964	/nfs/dbraw/zinc/29/19/64/570291964.db2.gz	SNKQLJNPEYLMSE-QINSGFPZSA-N	-1	3	375.404	0.287	50	10		GCCAHM
[O-]c1c(CN2CCOCC2)cc(CN2CCOCC2)cc1CN1CCOCC1	ZINC000019892767	210306477	/nfs/dbraw/zinc/30/64/77/210306477.db2.gz	JGTWRXHFXRFYTN-UHFFFAOYSA-N	-1	3	391.512	0.889	50	10		GCCAHM
Cc1cccc(N2C(=O)C(=CNCCCN3CCOCC3)C(=O)[N-]C2=S)c1	ZINC000020292234	570251742	/nfs/dbraw/zinc/25/17/42/570251742.db2.gz	KIIOVSCIAHTRFG-DTQAZKPQSA-N	-1	3	388.493	0.939	50	10		GCCAHM
COc1cccc([C@@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@@H]23)c1[O-]	ZINC000217627863	209184838	/nfs/dbraw/zinc/18/48/38/209184838.db2.gz	BNTSSBNBEGQPHK-OXRQTFEDSA-N	-1	3	394.449	0.853	50	10		GCCAHM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNCCCN1CCOCC1	ZINC000020291392	210327864	/nfs/dbraw/zinc/32/78/64/210327864.db2.gz	WCMNEHCAAOLTKM-NTCAYCPXSA-N	-1	3	392.456	0.769	50	10		GCCAHM
COC(=O)Cc1c(C)c2ccc([O-])c(CN[C@@H]3CCS(=O)(=O)C3)c2oc1=O	ZINC000013629786	221278238	/nfs/dbraw/zinc/27/82/38/221278238.db2.gz	YLMZSBSEKHUGML-LLVKDONJSA-N	-1	3	395.433	0.799	50	10		GCCAHM
COc1ccccc1N1C(=O)C(=CNN2CCN(C)CC2)C(=O)[N-]C1=S	ZINC000020292321	570251575	/nfs/dbraw/zinc/25/15/75/570251575.db2.gz	BDTSOQUCRFSVQV-VAWYXSNFSA-N	-1	3	375.454	0.919	50	10		GCCAHM
O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=CNCCCN1CCOCC1	ZINC000020291901	207186206	/nfs/dbraw/zinc/18/62/06/207186206.db2.gz	PHOWXJRZCFIDHM-FYWRMAATSA-N	-1	3	380.514	0.758	50	10		GCCAHM
COc1cccc(N2C(=O)C(=CNN3CCN(C)CC3)C(=O)[N-]C2=S)c1	ZINC000020325458	207188766	/nfs/dbraw/zinc/18/87/66/207188766.db2.gz	XUTPGEBKNLUDOC-SDNWHVSQSA-N	-1	3	375.454	0.919	50	10		GCCAHM
COc1ccc(OC)c(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)c1	ZINC000002306813	570466328	/nfs/dbraw/zinc/46/63/28/570466328.db2.gz	YODIXGDPJIREOO-ZRDIBKRKSA-N	-1	3	378.454	0.487	50	10		GCCAHM
COc1ccc(N2C(=O)C(=CNN3CCN(C)CC3)C(=O)[N-]C2=S)cc1	ZINC000020330782	570252075	/nfs/dbraw/zinc/25/20/75/570252075.db2.gz	WXTFBORHOOPIKP-SDNWHVSQSA-N	-1	3	375.454	0.919	50	10		GCCAHM
COc1cccc([C@@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@@H]3C(=O)N(C)C(=O)[C@H]23)c1[O-]	ZINC000245254640	206282073	/nfs/dbraw/zinc/28/20/73/206282073.db2.gz	BNTSSBNBEGQPHK-RSLFNQERSA-N	-1	3	394.449	0.853	50	10		GCCAHM
COc1cccc([C@@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@H]3C(=O)N(C)C(=O)[C@H]23)c1[O-]	ZINC000015320643	221334793	/nfs/dbraw/zinc/33/47/93/221334793.db2.gz	BNTSSBNBEGQPHK-YFQWEKLQSA-N	-1	3	394.449	0.853	50	10		GCCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000101124448	570815647	/nfs/dbraw/zinc/81/56/47/570815647.db2.gz	GADBSVOTOUONQT-XYOKQWHBSA-N	-1	3	376.438	0.194	50	10		GCCAHM
COc1cccc([C@@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@H]3C(=O)N(C)C(=O)[C@@H]23)c1[O-]	ZINC000245254641	206281911	/nfs/dbraw/zinc/28/19/11/206281911.db2.gz	BNTSSBNBEGQPHK-SDFXEEBMSA-N	-1	3	394.449	0.853	50	10		GCCAHM
CN1CCN(NC=C2C(=O)[N-]C(=S)N(Cc3ccc(F)cc3)C2=O)CC1	ZINC000001314976	206371936	/nfs/dbraw/zinc/37/19/36/206371936.db2.gz	SMQAKOJLDDSSRM-GXDHUFHOSA-N	-1	3	377.445	0.616	50	10		GCCAHM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCCCN1CCOCC1	ZINC000020267780	570250783	/nfs/dbraw/zinc/25/07/83/570250783.db2.gz	DTUULPZOSHUQNV-FOWTUZBSSA-N	-1	3	390.415	0.600	50	10		GCCAHM
Cc1ccc(N2C(=O)C(=CNCCCN3CCOCC3)C(=O)[N-]C2=S)cc1	ZINC000020265720	570250794	/nfs/dbraw/zinc/25/07/94/570250794.db2.gz	BGKYTBLWZSNNSP-DTQAZKPQSA-N	-1	3	388.493	0.939	50	10		GCCAHM
COC(=O)Cc1c(C)c2ccc([O-])c(CN[C@H]3CCS(=O)(=O)C3)c2oc1=O	ZINC000013629787	570899324	/nfs/dbraw/zinc/89/93/24/570899324.db2.gz	YLMZSBSEKHUGML-NSHDSACASA-N	-1	3	395.433	0.799	50	10		GCCAHM