smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027081823	553825345	/nfs/dbraw/zinc/82/53/45/553825345.db2.gz	HVZPPZGCZLLMBC-VPRYHYFJSA-N	1	1	593.686	-3.590	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O	ZINC000060292250	554505287	/nfs/dbraw/zinc/50/52/87/554505287.db2.gz	UWKNDYISLPTEKG-RMCGQVEASA-N	1	1	631.779	-2.032	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100270052	554268883	/nfs/dbraw/zinc/26/88/83/554268883.db2.gz	NNZNKOHVTJTPFL-FIGLBAGKSA-N	1	1	544.529	-1.581	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100270060	554268816	/nfs/dbraw/zinc/26/88/16/554268816.db2.gz	NNZNKOHVTJTPFL-GMKBGXEISA-N	1	1	544.529	-1.581	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100928032	554525356	/nfs/dbraw/zinc/52/53/56/554525356.db2.gz	NNZNKOHVTJTPFL-HFLJFPFFSA-N	1	1	544.529	-1.581	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000100928034	554525349	/nfs/dbraw/zinc/52/53/49/554525349.db2.gz	NNZNKOHVTJTPFL-YIPHTFBLSA-N	1	1	544.529	-1.581	40	30		KAEBMO
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000214701148	571580589	/nfs/dbraw/zinc/58/05/89/571580589.db2.gz	LNQSOPRLNRSQRD-TWGJCYIBSA-N	1	1	618.696	-4.091	40	30		KAEBMO
C[C@H](O)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000214701201	571580629	/nfs/dbraw/zinc/58/06/29/571580629.db2.gz	LNQSOPRLNRSQRD-JIYBTHTKSA-N	1	1	618.696	-4.091	40	30		KAEBMO
C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000214701250	571580594	/nfs/dbraw/zinc/58/05/94/571580594.db2.gz	LNQSOPRLNRSQRD-LOXXWQLCSA-N	1	1	618.696	-4.091	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000227240385	572152068	/nfs/dbraw/zinc/15/20/68/572152068.db2.gz	NNZNKOHVTJTPFL-IMOPTKBJSA-N	1	1	544.529	-1.581	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)[C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255962603	572304241	/nfs/dbraw/zinc/30/42/41/572304241.db2.gz	ANAMCEKSRDPIPX-DCXKTVFBSA-N	1	1	647.822	-1.493	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255962604	572304270	/nfs/dbraw/zinc/30/42/70/572304270.db2.gz	ANAMCEKSRDPIPX-HLQUPRNASA-N	1	1	647.822	-1.493	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)[C@H](C)O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255962605	572304244	/nfs/dbraw/zinc/30/42/44/572304244.db2.gz	ANAMCEKSRDPIPX-NNCFWGSKSA-N	1	1	647.822	-1.493	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255962606	572304265	/nfs/dbraw/zinc/30/42/65/572304265.db2.gz	ANAMCEKSRDPIPX-WCTPGKCWSA-N	1	1	647.822	-1.493	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255977646	572304449	/nfs/dbraw/zinc/30/44/49/572304449.db2.gz	HVZPPZGCZLLMBC-QIOAEMSDSA-N	1	1	593.686	-3.590	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255977647	572304414	/nfs/dbraw/zinc/30/44/14/572304414.db2.gz	HVZPPZGCZLLMBC-TZYVJGCXSA-N	1	1	593.686	-3.590	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000255977648	572304446	/nfs/dbraw/zinc/30/44/46/572304446.db2.gz	HVZPPZGCZLLMBC-VEPVOHMBSA-N	1	1	593.686	-3.590	40	30		KAEBMO
C[C@H](O)[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255978420	572304444	/nfs/dbraw/zinc/30/44/44/572304444.db2.gz	IESDGNYHXIOKRW-GCSSGZNBSA-N	1	1	500.601	-3.078	40	30		KAEBMO
C[C@H](O)[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255978421	572304430	/nfs/dbraw/zinc/30/44/30/572304430.db2.gz	IESDGNYHXIOKRW-NPJQDHAYSA-N	1	1	500.601	-3.078	40	30		KAEBMO
C[C@H](O)[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255978422	572304456	/nfs/dbraw/zinc/30/44/56/572304456.db2.gz	IESDGNYHXIOKRW-OTJKEOIZSA-N	1	1	500.601	-3.078	40	30		KAEBMO
C[C@H](O)[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000255978423	572304412	/nfs/dbraw/zinc/30/44/12/572304412.db2.gz	IESDGNYHXIOKRW-QRJUGERDSA-N	1	1	500.601	-3.078	40	30		KAEBMO
C[C@H](O)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000255985723	572304527	/nfs/dbraw/zinc/30/45/27/572304527.db2.gz	LNQSOPRLNRSQRD-KFYQUUCGSA-N	1	1	618.696	-4.091	40	30		KAEBMO
C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000255985724	572304563	/nfs/dbraw/zinc/30/45/63/572304563.db2.gz	LNQSOPRLNRSQRD-RSEMWIDTSA-N	1	1	618.696	-4.091	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000256001264	572304929	/nfs/dbraw/zinc/30/49/29/572304929.db2.gz	SGPMJRPYYIJZPC-MDDNTDLKSA-N	1	1	656.830	-2.961	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(C)C)C(N)=O	ZINC000256001265	572304873	/nfs/dbraw/zinc/30/48/73/572304873.db2.gz	SGPMJRPYYIJZPC-MGTIRKQDSA-N	1	1	656.830	-2.961	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(C)C)C(N)=O	ZINC000256001266	572304957	/nfs/dbraw/zinc/30/49/57/572304957.db2.gz	SGPMJRPYYIJZPC-NWUYWLMZSA-N	1	1	656.830	-2.961	40	30		KAEBMO
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CO)C(=O)NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(N)=O	ZINC000256001267	572304921	/nfs/dbraw/zinc/30/49/21/572304921.db2.gz	SGPMJRPYYIJZPC-ZBVDZRMISA-N	1	1	656.830	-2.961	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)cc2[N+](=O)[O-])CC1	ZINC000257346787	572320482	/nfs/dbraw/zinc/32/04/82/572320482.db2.gz	NNZNKOHVTJTPFL-DZFVLXBGSA-N	1	1	544.529	-1.168	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000257346788	572320471	/nfs/dbraw/zinc/32/04/71/572320471.db2.gz	NNZNKOHVTJTPFL-QPLSIJSKSA-N	1	1	544.529	-1.168	40	30		KAEBMO
C[NH+]1CCN(c2ccc(C=[NH+][N-]c3nc4c(nc(N)[nH]c4=O)n3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc2[N+](=O)[O-])CC1	ZINC000257346789	572320447	/nfs/dbraw/zinc/32/04/47/572320447.db2.gz	NNZNKOHVTJTPFL-VHVSHMJVSA-N	1	1	544.529	-1.168	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000299803251	572138053	/nfs/dbraw/zinc/13/80/53/572138053.db2.gz	CZLZRFOGBRFCLO-CSJNAZMVSA-N	1	1	784.985	-1.672	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000644164282	1066220572	/nfs/dbraw/zinc/22/05/72/1066220572.db2.gz	CZLZRFOGBRFCLO-BSAIPXINSA-N	1	1	784.985	-1.672	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@H](CS)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000644164283	1066220704	/nfs/dbraw/zinc/22/07/04/1066220704.db2.gz	CZLZRFOGBRFCLO-RPAQDWKOSA-N	1	1	784.985	-1.672	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000644164284	1066220743	/nfs/dbraw/zinc/22/07/43/1066220743.db2.gz	CZLZRFOGBRFCLO-UYBSIZHCSA-N	1	1	784.985	-1.672	40	30		KAEBMO
CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@H](CS)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000644164285	1066220546	/nfs/dbraw/zinc/22/05/46/1066220546.db2.gz	CZLZRFOGBRFCLO-ZUGWGWBOSA-N	1	1	784.985	-1.672	40	30		KAEBMO