smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@@H+]21	ZINC000015708443	291098305	/nfs/dbraw/zinc/09/83/05/291098305.db2.gz	FQKJSAHIPSHNAC-BBWFWOEESA-N	1	1	383.452	0.279	40	30	biogenic,in-vitro	GCEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@H+]21	ZINC000015708443	291098306	/nfs/dbraw/zinc/09/83/06/291098306.db2.gz	FQKJSAHIPSHNAC-BBWFWOEESA-N	1	1	383.452	0.279	40	30	biogenic,in-vitro	GCEBMO
COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1O	ZINC000514288930	560033569	/nfs/dbraw/zinc/03/35/69/560033569.db2.gz	KFAHAFYICIVTQD-LAVFITLUSA-N	1	1	395.481	0.076	40	30	biogenic,in-vitro	GCEBMO
CS(=O)(=O)c1ccc2nc(NC(=O)CN3CC[NH+](CCO)CC3)sc2c1	ZINC000036646497	525266412	/nfs/dbraw/zinc/26/64/12/525266412.db2.gz	BGKTXLVMUADCRT-UHFFFAOYSA-N	1	1	398.510	0.898	40	30	biogenic,in-vitro	GCEBMO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(O)cc2)[N@@H+]1C	ZINC000022922443	291098599	/nfs/dbraw/zinc/09/85/99/291098599.db2.gz	OMQGMJBFGSYQQI-HQRMLTQVSA-N	1	1	384.480	0.295	40	30	biogenic,in-vitro	GCEBMO
CC[N@H+]1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)cc2)NC1	ZINC000040387180	570741956	/nfs/dbraw/zinc/74/19/56/570741956.db2.gz	RQWPWYXKRHKCQM-AWEZNQCLSA-N	1	1	381.502	0.634	40	30		GCEBMO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)[N@@H+]1C	ZINC000022923434	291098543	/nfs/dbraw/zinc/09/85/43/291098543.db2.gz	UACNCVARFPNXQI-NSHGMRRFSA-N	1	1	386.471	0.728	40	30	biogenic,in-vitro	GCEBMO
CC[N@H+]1CCC[C@@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)cc2)NC1	ZINC000040387178	521632792	/nfs/dbraw/zinc/63/27/92/521632792.db2.gz	RQWPWYXKRHKCQM-CQSZACIVSA-N	1	1	381.502	0.634	40	30		GCEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21	ZINC000015708470	291098298	/nfs/dbraw/zinc/09/82/98/291098298.db2.gz	NTKDWQMSROQVKE-BBWFWOEESA-N	1	1	399.520	0.444	40	30	biogenic,in-vitro	GCEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21	ZINC000015708470	291098299	/nfs/dbraw/zinc/09/82/99/291098299.db2.gz	NTKDWQMSROQVKE-BBWFWOEESA-N	1	1	399.520	0.444	40	30	biogenic,in-vitro	GCEBMO
COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CCN(Cc1ccc(C#N)cc1)CC2	ZINC001772595453	1187054244	/nfs/dbraw/zinc/05/42/44/1187054244.db2.gz	YLTKGCZWUMPNKG-HXUWFJFHSA-N	1	1	397.523	0.955	40	30		GCEBMO
COCCN1C(=O)[C@H]2C[N@@H+](C)CCN2C12CCN(Cc1ccc(C#N)cc1)CC2	ZINC001772595453	1187054249	/nfs/dbraw/zinc/05/42/49/1187054249.db2.gz	YLTKGCZWUMPNKG-HXUWFJFHSA-N	1	1	397.523	0.955	40	30		GCEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C[N@@H+]21	ZINC000015708409	291098289	/nfs/dbraw/zinc/09/82/89/291098289.db2.gz	NMFSYVQXAIOLAA-BBWFWOEESA-N	1	1	386.427	0.026	40	30	biogenic,in-vitro	GCEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C[N@H+]21	ZINC000015708409	291098290	/nfs/dbraw/zinc/09/82/90/291098290.db2.gz	NMFSYVQXAIOLAA-BBWFWOEESA-N	1	1	386.427	0.026	40	30	biogenic,in-vitro	GCEBMO
C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC)c(N)cc1OC	ZINC000001999471	212101673	/nfs/dbraw/zinc/10/16/73/212101673.db2.gz	QRQMZZNDJGHPHZ-LBPRGKRZSA-N	1	1	382.486	0.566	40	30	in-man	GCEBMO
C#CCNC(=O)[C@H]1O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O	ZINC000030879142	560090033	/nfs/dbraw/zinc/09/00/33/560090033.db2.gz	WNNKOFDXHKQZFB-ACRUOGEOSA-N	1	1	385.508	0.852	40	30	biogenic,in-vitro	GCEBMO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C)cc2)[N@@H+]1C	ZINC000022923460	291098584	/nfs/dbraw/zinc/09/85/84/291098584.db2.gz	HOADLWZAKRJASE-ZVDOUQERSA-N	1	1	382.508	0.898	40	30	biogenic,in-vitro	GCEBMO