smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873185	560191100	/nfs/dbraw/zinc/19/11/00/560191100.db2.gz	WINFHLHJTRGLCV-SQNIBIBYSA-N	2	0	437.541	-0.426	1	0	in-vitro	IBAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873186	560191150	/nfs/dbraw/zinc/19/11/50/560191150.db2.gz	WINFHLHJTRGLCV-FGTMMUONSA-N	2	0	437.541	-0.426	1	0	in-vitro	IBAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873187	560191181	/nfs/dbraw/zinc/19/11/81/560191181.db2.gz	WINFHLHJTRGLCV-KURKYZTESA-N	2	0	437.541	-0.426	1	0	in-vitro	IBAFRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873188	560191131	/nfs/dbraw/zinc/19/11/31/560191131.db2.gz	WINFHLHJTRGLCV-KZNAEPCWSA-N	2	0	437.541	-0.426	1	0	in-vitro	IBAFRP
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@H]1O	ZINC000013522335	562991310	/nfs/dbraw/zinc/99/13/10/562991310.db2.gz	YETXSQDQSWLLJR-URQYDQELSA-N	2	0	425.559	-0.003	1	0		IBAFRP
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@H]1O	ZINC000013522339	562991359	/nfs/dbraw/zinc/99/13/59/562991359.db2.gz	YETXSQDQSWLLJR-AJKMGBEJSA-N	2	0	425.559	-0.003	1	0		IBAFRP
COC(=O)[C@@H](O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000013737689	563002543	/nfs/dbraw/zinc/00/25/43/563002543.db2.gz	PWXNZLBAEBLWJI-XWSJACJDSA-N	2	0	434.537	-0.305	1	0		IBAFRP
COC(=O)[C@H](O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1	ZINC000013737690	563002660	/nfs/dbraw/zinc/00/26/60/563002660.db2.gz	PWXNZLBAEBLWJI-YDZRNGNQSA-N	2	0	434.537	-0.305	1	0		IBAFRP
C(CN1CCC[NH2+]CCNCCC[NH2+]CC1)CN1CCC[NH2+]CCNCCC[NH2+]CC1	ZINC000022441524	563025612	/nfs/dbraw/zinc/02/56/12/563025612.db2.gz	SCMFKRCYKTYWIW-UHFFFAOYSA-N	4	0	440.725	-0.894	1	0		IBAFRP
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CS[C@@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@@H]1O	ZINC000026190094	563029984	/nfs/dbraw/zinc/02/99/84/563029984.db2.gz	YETXSQDQSWLLJR-ALWTWFFWSA-N	2	0	425.559	-0.003	1	0		IBAFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H]1CNC(Nc2ccc3ccccc3n2)=NC1=O	ZINC000026579319	563034103	/nfs/dbraw/zinc/03/41/03/563034103.db2.gz	XOHLVWHGJIEQAS-GOEBONIOSA-N	2	0	439.524	-0.060	1	0		IBAFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@H]1CNC(Nc2ccc3ccccc3n2)=NC1=O	ZINC000026579320	563034137	/nfs/dbraw/zinc/03/41/37/563034137.db2.gz	XOHLVWHGJIEQAS-HOCLYGCPSA-N	2	0	439.524	-0.060	1	0		IBAFRP
CC(=O)OC[C@H](C[N@H+](C)C/C=C\C[NH3+])O[C@@H](COC(C)=O)n1cnc2c1ncnc2N	ZINC000027558230	563043898	/nfs/dbraw/zinc/04/38/98/563043898.db2.gz	KEGIFUSUEAJRGQ-UDLYIEAKSA-N	2	0	435.485	-0.135	1	0		IBAFRP
CC(=O)OC[C@@H](C[N@H+](C)C/C=C\C[NH3+])O[C@@H](COC(C)=O)n1cnc2c1ncnc2N	ZINC000027558231	563043930	/nfs/dbraw/zinc/04/39/30/563043930.db2.gz	KEGIFUSUEAJRGQ-MSNYOWOLSA-N	2	0	435.485	-0.135	1	0		IBAFRP
CC(=O)O[C@@H]1[C@H](C[N@H+](C)C/C=C\C[NH3+])O[C@@H](n2cnc3c2ncnc3N)[C@H]1OC(C)=O	ZINC000027559322	563044089	/nfs/dbraw/zinc/04/40/89/563044089.db2.gz	ZIZMOTPTRQWNLN-MQPODOIESA-N	2	0	433.469	-0.384	1	0		IBAFRP
NC(=[NH2+])NCCCNC(=O)C=CC(=O)N(CCCCCCCC[NH3+])CCCNC(N)=[NH2+]	ZINC000028650047	563061054	/nfs/dbraw/zinc/06/10/54/563061054.db2.gz	LBQPASXFLGYYQQ-MDZDMXLPSA-N	3	0	439.609	-0.467	1	0		IBAFRP
NC(=[NH2+])NCCCNC(=O)C=CC(=O)N(CCCCCCCC[NH3+])CCCNC(N)=[NH2+]	ZINC000028650059	563061034	/nfs/dbraw/zinc/06/10/34/563061034.db2.gz	LBQPASXFLGYYQQ-KTKRTIGZSA-N	3	0	439.609	-0.467	1	0		IBAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000034299448	563086074	/nfs/dbraw/zinc/08/60/74/563086074.db2.gz	KZXPVYVSHUJCEO-ULQDDVLXSA-N	2	0	449.556	-0.997	1	0		IBAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-]	ZINC000039809575	563099266	/nfs/dbraw/zinc/09/92/66/563099266.db2.gz	DMEYUTSDVRCWRS-ULQDDVLXSA-N	2	0	449.556	-0.997	1	0		IBAFRP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039811465	563099260	/nfs/dbraw/zinc/09/92/60/563099260.db2.gz	YYRCPTVAPLQRNC-ULQDDVLXSA-N	2	0	449.556	-0.997	1	0		IBAFRP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000039830395	563099270	/nfs/dbraw/zinc/09/92/70/563099270.db2.gz	XUGATJVGQUGQKY-ULQDDVLXSA-N	2	0	449.556	-0.997	1	0		IBAFRP
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CS[C@@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@H]1O	ZINC000040440506	563103694	/nfs/dbraw/zinc/10/36/94/563103694.db2.gz	YETXSQDQSWLLJR-BXPDPKNNSA-N	2	0	425.559	-0.003	1	0		IBAFRP
Cc1cc(C)cc(Nc2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)c1	ZINC000040575583	563105215	/nfs/dbraw/zinc/10/52/15/563105215.db2.gz	BUILPOXTJORARE-WNKDZCFJSA-N	4	0	426.573	-0.039	1	0		IBAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc4[nH]cnc4c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000040576415	563105300	/nfs/dbraw/zinc/10/53/00/563105300.db2.gz	LNCZZYFRPOROKD-KPWCQOOUSA-N	4	0	438.544	-0.779	1	0		IBAFRP
[NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc4c(c3)CCC4)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1	ZINC000040576631	563105288	/nfs/dbraw/zinc/10/52/88/563105288.db2.gz	VXPYKTQPIXVMQF-USTZCAOPSA-N	4	0	438.584	-0.167	1	0		IBAFRP
COc1ccc(Nc2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)cc1	ZINC000040576704	563105390	/nfs/dbraw/zinc/10/53/90/563105390.db2.gz	WIMADEUCYIBXAD-NMWPEEMBSA-N	4	0	428.545	-0.647	1	0		IBAFRP
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2cnc3c2ncnc3N)O[C@H]1C[N@H+](C)C/C=C\C[NH3+]	ZINC000040743097	563106158	/nfs/dbraw/zinc/10/61/58/563106158.db2.gz	ZIZMOTPTRQWNLN-JUJVOYOSSA-N	2	0	433.469	-0.384	1	0		IBAFRP
CN(C)c1ccc(Nc2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)cc1	ZINC000052971487	563140926	/nfs/dbraw/zinc/14/09/26/563140926.db2.gz	FVDWLPGPTMXJCY-GEEKYZPCSA-N	4	0	441.588	-0.589	1	0		IBAFRP
CC(=O)OC[C@@H](C[N@H+](C)C/C=C\C[NH3+])O[C@H](COC(C)=O)n1cnc2c1ncnc2N	ZINC000058648554	563145922	/nfs/dbraw/zinc/14/59/22/563145922.db2.gz	KEGIFUSUEAJRGQ-KSLSASGISA-N	2	0	435.485	-0.135	1	0		IBAFRP
CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1)C(C)C	ZINC000072176565	563165674	/nfs/dbraw/zinc/16/56/74/563165674.db2.gz	HLJULBQLHBDKQC-IRXDYDNUSA-N	2	0	446.556	-0.504	1	0		IBAFRP
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095575062	563185524	/nfs/dbraw/zinc/18/55/24/563185524.db2.gz	ZVGJPQMEEYQNAU-ULQDDVLXSA-N	2	0	433.557	-0.679	1	0		IBAFRP
CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCCCNC(N)=[NH2+]	ZINC000096930006	563198760	/nfs/dbraw/zinc/19/87/60/563198760.db2.gz	BBYQUMLDPPIIOP-IRXDYDNUSA-N	3	0	442.609	-0.997	1	0		IBAFRP