smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)[C@H](N)C12CC3C[C@@](O)(C1)C[C@](O)(C3)C2	ZINC000028462986	202171762	/nfs/dbraw/zinc/17/17/62/202171762.db2.gz	GAWUJFVQGSLSSZ-GMMDDULJSA-N	0	1	331.416	0.273	1	30		ECEFMN
C[C@H]1C(=O)C(=O)C2[C@@](C)([C@@H]3C=CC(=O)O3)C[C@H]3OC(=O)C[C@@H]1[C@@]23CO	ZINC000027767581	212577671	/nfs/dbraw/zinc/57/76/71/212577671.db2.gz	DZUPERLPUSHCBM-BKUDNDNKSA-N	0	1	348.351	0.819	1	30		ECEFMN
CCO[C@@H](COC(N)=O)C1=C(N2CC2)C(=O)C(CC)=C(N2CC2)C1=O	ZINC000101262153	219119684	/nfs/dbraw/zinc/11/96/84/219119684.db2.gz	CLUBTRPKWPEXHY-NSHDSACASA-N	0	1	349.387	0.188	1	30		ECEFMN
N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@@](O)(C1)C[C@](O)(C3)C2	ZINC000028462990	212619815	/nfs/dbraw/zinc/61/98/15/212619815.db2.gz	GAWUJFVQGSLSSZ-IUIHDFSWSA-N	0	1	331.416	0.273	1	30		ECEFMN
COc1ccc(S(=O)(=O)N2CC(=O)N(O)C(=O)[C@H]2C(C)C)cc1	ZINC000073157513	216358440	/nfs/dbraw/zinc/35/84/40/216358440.db2.gz	FTRCUXMVUJZMHT-CYBMUJFWSA-N	0	1	342.373	0.469	1	30		ECEFMN
CCC(CC)O[C@@H]1C=C(C(=O)[O-])C[C@H](N/C(N)=[NH+]/O)[C@H]1NC(C)=O	ZINC000169311074	528806223	/nfs/dbraw/zinc/80/62/23/528806223.db2.gz	CTVIPYCSHNQOAG-YNEHKIRRSA-N	0	1	342.396	0.142	1	30		ECEFMN
COCC(=O)[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O	ZINC000040639946	213362682	/nfs/dbraw/zinc/36/26/82/213362682.db2.gz	LKIISDMVFZATAV-SECBINFHSA-N	0	1	331.328	0.375	1	30		ECEFMN
C=C1C[C@@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O	ZINC000103282163	219281840	/nfs/dbraw/zinc/28/18/40/219281840.db2.gz	FCIODHVPRKAEIC-MRXNPFEDSA-N	0	1	331.303	0.778	1	30		ECEFMN
COc1cccc(N=Nc2c(=O)[nH]n3c2[nH]c2c(c3=O)CCC2)c1	ZINC000101707791	219158232	/nfs/dbraw/zinc/15/82/32/219158232.db2.gz	QOOFMAWDIGLTDY-UYRXBGFRSA-N	0	1	325.328	0.641	3	30		ECEFMN
CCO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C(CC)=C(N2CC2)C1=O	ZINC000101262147	219119417	/nfs/dbraw/zinc/11/94/17/219119417.db2.gz	CLUBTRPKWPEXHY-LLVKDONJSA-N	0	1	349.387	0.188	1	30		ECEFMN
C=C1[C@@H](O)[C@]23C[C@H]4[C@@H]5[C@]6(C)C[N@@H+]4[C@@H]4[C@H]2C[C@H]1[C@H](O)[C@H]3[C@@]45C[C@@H](O)C6	ZINC000095918877	565188914	/nfs/dbraw/zinc/18/89/14/565188914.db2.gz	FJCOIQMSSHLYSS-UFIZTXQGSA-N	0	1	329.440	0.764	1	30	biogenic,in-vitro	ECEFMN
C=CCn1c2ccccc2n(C(=O)NCCN2CCN(C)CC2)c1=O	ZINC000022939354	212338418	/nfs/dbraw/zinc/33/84/18/212338418.db2.gz	RPAYLRHXLKUSOT-UHFFFAOYSA-N	0	1	343.431	0.794	1	30		ECEFMN
COCC(=O)[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O	ZINC000040639943	213362445	/nfs/dbraw/zinc/36/24/45/213362445.db2.gz	LKIISDMVFZATAV-VIFPVBQESA-N	0	1	331.328	0.375	1	30		ECEFMN
C=C1C[C@](Cn2nc(C)c(=O)[nH]c2=O)(c2ccc(F)cc2)OC1=O	ZINC000103282161	219282355	/nfs/dbraw/zinc/28/23/55/219282355.db2.gz	FCIODHVPRKAEIC-INIZCTEOSA-N	0	1	331.303	0.778	1	30		ECEFMN