smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1cc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)ccc1[O-]	ZINC000013727931	210084472	/nfs/dbraw/zinc/08/44/72/210084472.db2.gz	GXPUOVZWZFENNJ-UHFFFAOYSA-N	0	0	376.481	0.996	1	10		GCCFRN
COC(=O)[C@H](O)[C@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000095563309	211276604	/nfs/dbraw/zinc/27/66/04/211276604.db2.gz	ZYQOVKOJTPQPJC-AZUAARDMSA-N	0	0	386.356	0.701	1	10		GCCFRN
C[NH+](C)Cc1cc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)ccc1[O-]	ZINC000001542489	209227504	/nfs/dbraw/zinc/22/75/04/209227504.db2.gz	RVWWILHTBSKSKO-UHFFFAOYSA-N	0	0	376.481	0.996	1	10		GCCFRN
CN(C)/C=C1\C(=O)N(Cc2ccccc2)c2nc3c(n2[C@@H]1O)C(=O)N(C)CN3C	ZINC000040465836	205065090	/nfs/dbraw/zinc/06/50/90/205065090.db2.gz	NBSHFMQSLYGUSX-GPZRYRNASA-N	0	0	396.451	0.846	1	10		GCCFRN
C[NH2+]Cc1c([O-])c2c(cc1OC)C(=O)c1cc(OC)c(O)c(C(O)O)c1C2=O	ZINC000085486902	291100914	/nfs/dbraw/zinc/10/09/14/291100914.db2.gz	DJXQVIAODJYDNW-UHFFFAOYSA-N	0	0	389.360	0.593	1	10	biogenic,in-vitro	GCCFRN
Cc1cn(C[C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)c3ccncc3)O2)c(=O)[nH]c1=O	ZINC000029123102	204886988	/nfs/dbraw/zinc/88/69/88/204886988.db2.gz	KFVVYTDKFNSAMT-HZSPNIEDSA-N	0	0	386.368	0.933	1	10		GCCFRN
COC(=O)[C@@H](O)[C@@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000095563308	211276773	/nfs/dbraw/zinc/27/67/73/211276773.db2.gz	ZYQOVKOJTPQPJC-QUCCMNQESA-N	0	0	386.356	0.701	1	10		GCCFRN
CC(=O)O[C@@H]1CCn2c1nc1c2C(=O)c2c(nc3n2CC[C@H]3OC(C)=O)C1=O	ZINC000027707773	207330739	/nfs/dbraw/zinc/33/07/39/207330739.db2.gz	YUJREGITCKITCF-NXEZZACHSA-N	0	0	384.348	0.871	1	10		GCCFRN
COC(=O)[C@@H](O)[C@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000095563307	208233233	/nfs/dbraw/zinc/23/32/33/208233233.db2.gz	ZYQOVKOJTPQPJC-UYAOXDASSA-N	0	0	386.356	0.701	1	10		GCCFRN
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000072179116	222217197	/nfs/dbraw/zinc/21/71/97/222217197.db2.gz	RSWXCMVXDJADBL-RZQQEMMASA-N	0	0	381.384	0.288	1	10		GCCFRN
COc1ccc(/N=N/c2c(N)n3nc(S(N)(=O)=O)sc3nc2=O)cc1	ZINC000096907269	222429505	/nfs/dbraw/zinc/42/95/05/222429505.db2.gz	RALROKMGHFUAEZ-WUKNDPDISA-N	0	0	381.399	0.805	1	10		GCCFRN
CC(C)[C@H](NC(=O)[C@@H]1[NH2+][C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(=O)[O-]	ZINC000096933364	208329818	/nfs/dbraw/zinc/32/98/18/208329818.db2.gz	FCEITKJSSNBTFX-BSJXLVFVSA-N	0	0	381.397	0.295	1	10		GCCFRN
CC(C)[C@H](NC(=O)[C@H]1[NH2+][C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(=O)[O-]	ZINC000096933365	208330316	/nfs/dbraw/zinc/33/03/16/208330316.db2.gz	FCEITKJSSNBTFX-QCZKYFFMSA-N	0	0	381.397	0.295	1	10		GCCFRN
Cn1c2nc3sc4c(n3c2c(=O)n(C)c1=O)C(=O)c1c(O)ccc(O)c1C4=O	ZINC000001642059	212252609	/nfs/dbraw/zinc/25/26/09/212252609.db2.gz	IVLUYKYLSSTXDK-UHFFFAOYSA-N	0	0	398.356	0.133	1	10		GCCFRN
COC(=O)[C@H](O)[C@@](C)(O)Cc1ccc2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000095563310	222355863	/nfs/dbraw/zinc/35/58/63/222355863.db2.gz	ZYQOVKOJTPQPJC-ICSRJNTNSA-N	0	0	386.356	0.701	1	10		GCCFRN