smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCc1nc(C)c(CNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[n-]2)s1	ZINC000218496669	523188087	/nfs/dbraw/zinc/18/80/87/523188087.db2.gz	KVJHXQKXQJGAFI-SNVBAGLBSA-N	-1	1	368.484	1.787	50	70		FDIAMM
COCc1nc([C@H]2C[C@@H](NC(=O)c3c(C)nc4sccn43)C2)cc(=O)[n-]1	ZINC000218642441	206371374	/nfs/dbraw/zinc/37/13/74/206371374.db2.gz	GMRLFJFRYYWJEY-XYPYZODXSA-N	-1	1	373.438	1.610	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(SC)cc1	ZINC000218321631	206368319	/nfs/dbraw/zinc/36/83/19/206368319.db2.gz	WAQVIXPVGHULDH-GFCCVEGCSA-N	-1	1	363.439	1.538	50	70		FDIAMM
Cc1cc(=O)[n-]c(S[C@H](C)C(=O)NCc2nnc3n2CCCCC3)n1	ZINC000218640224	537464853	/nfs/dbraw/zinc/46/48/53/537464853.db2.gz	PVWMRGYQHOJSBW-LLVKDONJSA-N	-1	1	362.459	1.193	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1c(F)cccc1Cl	ZINC000218226211	537461218	/nfs/dbraw/zinc/46/12/18/537461218.db2.gz	KWQYFPBULNBWOP-MRVPVSSYSA-N	-1	1	369.780	1.608	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2ncccc2c1	ZINC000218328487	537462990	/nfs/dbraw/zinc/46/29/90/537462990.db2.gz	YFMAYKWOMMSCAU-ZDUSSCGKSA-N	-1	1	368.393	1.364	50	70		FDIAMM
CCc1c(C)nn(CCNC(=O)[C@H](C)Sc2nc(C)cc(=O)[n-]2)c1C	ZINC000218711083	537465877	/nfs/dbraw/zinc/46/58/77/537465877.db2.gz	YDIPRHDBLSNCFV-ZDUSSCGKSA-N	-1	1	363.487	1.751	50	70		FDIAMM
COC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218106444	537459150	/nfs/dbraw/zinc/45/91/50/537459150.db2.gz	AKTYYWITDSACOY-GFCCVEGCSA-N	-1	1	361.350	1.571	50	70		FDIAMM
C[C@H](Cn1cncn1)NC(=O)c1cnc(SCc2ccccc2)[n-]c1=O	ZINC000218391007	524802033	/nfs/dbraw/zinc/80/20/33/524802033.db2.gz	SXDGBHDIAJAMLQ-GFCCVEGCSA-N	-1	1	370.438	1.885	50	70		FDIAMM
Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)NCc2nnc3n2CCCCC3)n1	ZINC000218640167	537464818	/nfs/dbraw/zinc/46/48/18/537464818.db2.gz	PVWMRGYQHOJSBW-NSHDSACASA-N	-1	1	362.459	1.193	50	70		FDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCc2nccn2C)cc1	ZINC000218324279	525399539	/nfs/dbraw/zinc/39/95/39/525399539.db2.gz	YXTUBWFPQROJTI-AWEZNQCLSA-N	-1	1	355.398	1.331	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(F)c(F)c1	ZINC000218279945	520904770	/nfs/dbraw/zinc/90/47/70/520904770.db2.gz	SAQSFDKXBFFXHB-SECBINFHSA-N	-1	1	353.325	1.094	50	70		FDIAMM
COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])c(C(=O)OC)c[nH]c1=O	ZINC000218106513	210175426	/nfs/dbraw/zinc/17/54/26/210175426.db2.gz	AKTYYWITDSACOY-LBPRGKRZSA-N	-1	1	361.350	1.571	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2ncccc2c1	ZINC000218328418	537463096	/nfs/dbraw/zinc/46/30/96/537463096.db2.gz	YFMAYKWOMMSCAU-CYBMUJFWSA-N	-1	1	368.393	1.364	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc(F)c(F)c(F)c1	ZINC000218302587	537461894	/nfs/dbraw/zinc/46/18/94/537461894.db2.gz	IMJINAGXVCFQOY-MRVPVSSYSA-N	-1	1	371.315	1.233	50	70		FDIAMM
CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CSc1nc(C)cc(=O)[n-]1	ZINC000218235503	519438759	/nfs/dbraw/zinc/43/87/59/519438759.db2.gz	NTEIDLCBWRNYGV-KGLIPLIRSA-N	-1	1	367.471	1.427	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(SC)cc1	ZINC000218321718	537464033	/nfs/dbraw/zinc/46/40/33/537464033.db2.gz	WAQVIXPVGHULDH-LBPRGKRZSA-N	-1	1	363.439	1.538	50	70		FDIAMM
Cc1cc(=O)n2nc(CC(=O)N(C)Cc3n[nH]c4c3CCCCC4)[n-]c2n1	ZINC000216963101	525339279	/nfs/dbraw/zinc/33/92/79/525339279.db2.gz	UPZDGBZOJMVPNT-UHFFFAOYSA-N	-1	1	369.429	1.331	50	70		FDIAMM
O=C(Cc1cc(=O)[n-][nH]c1=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1	ZINC000216913650	568153534	/nfs/dbraw/zinc/15/35/34/568153534.db2.gz	WCJYRBLDGSSYJT-UHFFFAOYSA-N	-1	1	371.372	1.027	50	70		FDIAMM
Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OCc2ccccn2)c1	ZINC000218344043	525400462	/nfs/dbraw/zinc/40/04/62/525400462.db2.gz	XXYNVIMNHLTYGV-INIZCTEOSA-N	-1	1	352.394	1.993	50	70		FDIAMM
O=C(NCCN1CCc2ccccc2C1)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000218276903	206368448	/nfs/dbraw/zinc/36/84/48/206368448.db2.gz	VHZYVOOAZUJKGR-UHFFFAOYSA-N	-1	1	362.433	1.954	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(F)c(F)c1	ZINC000218280001	520904703	/nfs/dbraw/zinc/90/47/03/520904703.db2.gz	SAQSFDKXBFFXHB-VIFPVBQESA-N	-1	1	353.325	1.094	50	70		FDIAMM
O=C(COc1ccc2c(c1)NC(=O)CC2)Nc1n[n-]c(C(F)(F)F)n1	ZINC000218504259	206370046	/nfs/dbraw/zinc/37/00/46/206370046.db2.gz	RKRVIXFABNNKFR-UHFFFAOYSA-N	-1	1	355.276	1.726	50	70		FDIAMM
COCc1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(=O)[n-]2)s1	ZINC000218496739	523188795	/nfs/dbraw/zinc/18/87/95/523188795.db2.gz	KVJHXQKXQJGAFI-JTQLQIEISA-N	-1	1	368.484	1.787	50	70		FDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCc2nccn2C)cc1	ZINC000218324216	525399257	/nfs/dbraw/zinc/39/92/57/525399257.db2.gz	YXTUBWFPQROJTI-CQSZACIVSA-N	-1	1	355.398	1.331	50	70		FDIAMM
O=S(=O)([N-]c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cn1)c1ccccc1	ZINC000217155544	537453157	/nfs/dbraw/zinc/45/31/57/537453157.db2.gz	FHPLTPWEYWACAZ-QLPKVWCKSA-N	-1	1	374.466	1.480	50	70		FDIAMM
O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cnc(C2CC2)[n-]c1=O	ZINC000218751699	568249944	/nfs/dbraw/zinc/24/99/44/568249944.db2.gz	VDKLQOWSGJXUJD-ZIAGYGMSSA-N	-1	1	356.382	1.009	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(F)c(F)c(F)c1	ZINC000218302640	537463213	/nfs/dbraw/zinc/46/32/13/537463213.db2.gz	IMJINAGXVCFQOY-QMMMGPOBSA-N	-1	1	371.315	1.233	50	70		FDIAMM
CCc1c(C)nn(CCNC(=O)[C@@H](C)Sc2nc(C)cc(=O)[n-]2)c1C	ZINC000218710998	537465565	/nfs/dbraw/zinc/46/55/65/537465565.db2.gz	YDIPRHDBLSNCFV-CYBMUJFWSA-N	-1	1	363.487	1.751	50	70		FDIAMM
C[C@@H](Cn1cncn1)NC(=O)c1cnc(SCc2ccccc2)[n-]c1=O	ZINC000218390941	524971047	/nfs/dbraw/zinc/97/10/47/524971047.db2.gz	SXDGBHDIAJAMLQ-LBPRGKRZSA-N	-1	1	370.438	1.885	50	70		FDIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1c(F)cccc1Cl	ZINC000218226282	537461909	/nfs/dbraw/zinc/46/19/09/537461909.db2.gz	KWQYFPBULNBWOP-QMMMGPOBSA-N	-1	1	369.780	1.608	50	70		FDIAMM
CSCC[C@@H](CO)NC(=O)Cc1c(C)c2ccc([O-])cc2oc1=O	ZINC000217892132	525529939	/nfs/dbraw/zinc/52/99/39/525529939.db2.gz	MTHWSDUAAYJSOR-NSHDSACASA-N	-1	1	351.424	1.580	50	70		FDIAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCN(Cc2cccnc2)CC1	ZINC000217803689	537457789	/nfs/dbraw/zinc/45/77/89/537457789.db2.gz	KYJZHSYNLYABCK-UHFFFAOYSA-N	-1	1	363.421	1.666	50	70		FDIAMM
Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OCc2ccccn2)c1	ZINC000218343954	525399667	/nfs/dbraw/zinc/39/96/67/525399667.db2.gz	XXYNVIMNHLTYGV-MRXNPFEDSA-N	-1	1	352.394	1.993	50	70		FDIAMM
CN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159677317	173685594	/nfs/dbraw/zinc/68/55/94/173685594.db2.gz	VYRTZTUUDDMAHX-UHFFFAOYSA-N	-1	1	373.631	1.608	50	70		FDIAMM