smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)[C@H]([NH2+]CNC(=O)C1=C([O-])[C@H]([NH+](C)C)[C@@H]2C[C@@H]3C(=C([O-])c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C1=O)C(=O)[O-]	ZINC000004715050	552472221	/nfs/dbraw/zinc/47/22/21/552472221.db2.gz	CECRXSJMGCMNJA-KPEDIOFASA-N	-1	1	575.571	-1.202	40	30		KAEBMM
C[C@@H](O)[C@H]([NH2+]CNC(=O)C1=C([O-])[C@H]([NH+](C)C)[C@@H]2C[C@@H]3C(=C([O-])c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C1=O)C(=O)[O-]	ZINC000004715051	552472338	/nfs/dbraw/zinc/47/23/38/552472338.db2.gz	CECRXSJMGCMNJA-HUBODJGGSA-N	-1	1	575.571	-1.202	40	30		KAEBMM
C[C@H](O)[C@@H]([NH2+]CNC(=O)C1=C([O-])[C@H]([NH+](C)C)[C@@H]2C[C@@H]3C(=C([O-])c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C1=O)C(=O)[O-]	ZINC000004715052	552472502	/nfs/dbraw/zinc/47/25/02/552472502.db2.gz	CECRXSJMGCMNJA-MTUUNSEGSA-N	-1	1	575.571	-1.202	40	30		KAEBMM
C[C@@H](O)[C@@H]([NH2+]CNC(=O)C1=C([O-])[C@H]([NH+](C)C)[C@@H]2C[C@@H]3C(=C([O-])c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C1=O)C(=O)[O-]	ZINC000004715053	552472517	/nfs/dbraw/zinc/47/25/17/552472517.db2.gz	CECRXSJMGCMNJA-KMPHMDPOSA-N	-1	1	575.571	-1.202	40	30		KAEBMM
NC(=S)N/N=C/c1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(/C=N/NC(N)=S)c(O)c2)cc1[O-]	ZINC000006147951	552549155	/nfs/dbraw/zinc/54/91/55/552549155.db2.gz	DFJSBHFOFBOXPK-VGENTYGXSA-N	-1	1	574.692	-1.311	40	30		KAEBMM
O=C([O-])CN1CC[NH+](CC(=O)[O-])CCN(CC(=O)ON2C(=O)CCC2=O)CC[N@H+](CC(=O)[O-])CC1	ZINC000097972468	553967096	/nfs/dbraw/zinc/96/70/96/553967096.db2.gz	XSVWFLQICKPQAA-UHFFFAOYSA-N	-1	1	501.493	-2.931	40	30		KAEBMM
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000136324984	571449375	/nfs/dbraw/zinc/44/93/75/571449375.db2.gz	YCJRGURCDKCPCI-YTFOTSKYSA-N	-1	1	601.618	-5.500	40	30		KAEBMM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000214699765	571580598	/nfs/dbraw/zinc/58/05/98/571580598.db2.gz	ATBGHBUVWQJECJ-QZWWFDLISA-N	-1	1	596.598	-4.562	40	30		KAEBMM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000255963133	572304253	/nfs/dbraw/zinc/30/42/53/572304253.db2.gz	ATBGHBUVWQJECJ-LTIDMASMSA-N	-1	1	596.598	-4.562	40	30		KAEBMM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000255963134	572304229	/nfs/dbraw/zinc/30/42/29/572304229.db2.gz	ATBGHBUVWQJECJ-TWMKSMIVSA-N	-1	1	596.598	-4.562	40	30		KAEBMM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000255963135	572304256	/nfs/dbraw/zinc/30/42/56/572304256.db2.gz	ATBGHBUVWQJECJ-YYIAUSFCSA-N	-1	1	596.598	-4.562	40	30		KAEBMM
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000256012712	572305128	/nfs/dbraw/zinc/30/51/28/572305128.db2.gz	YCJRGURCDKCPCI-AHDPXTMNSA-N	-1	1	601.618	-5.500	40	30		KAEBMM
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000256012713	572305142	/nfs/dbraw/zinc/30/51/42/572305142.db2.gz	YCJRGURCDKCPCI-RMEBNNNOSA-N	-1	1	601.618	-5.500	40	30		KAEBMM
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000256012714	572305106	/nfs/dbraw/zinc/30/51/06/572305106.db2.gz	YCJRGURCDKCPCI-SBJFKYEJSA-N	-1	1	601.618	-5.500	40	30		KAEBMM
C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000256012715	572305120	/nfs/dbraw/zinc/30/51/20/572305120.db2.gz	YCJRGURCDKCPCI-VQJWOFKYSA-N	-1	1	601.618	-5.500	40	30		KAEBMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)NC(=CC(N)=O)C(=O)N1CCCC1C(=O)[O-]	ZINC001560406253	1066226747	/nfs/dbraw/zinc/22/67/47/1066226747.db2.gz	YNOQSQKSLAHKOA-DYXOOPKQSA-N	-1	1	611.593	-4.317	40	30		KAEBMM
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)NC(=CC(N)=O)C(=O)N1CCCC1C(=O)[O-]	ZINC001560406256	1066226773	/nfs/dbraw/zinc/22/67/73/1066226773.db2.gz	YNOQSQKSLAHKOA-QOKJFKIUSA-N	-1	1	611.593	-4.317	40	30		KAEBMM