smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc(Br)c(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1O	ZINC000027707287	204868473	/nfs/dbraw/zinc/86/84/73/204868473.db2.gz	HOSYDJXLEUQGSX-LBPRGKRZSA-N	1	0	366.211	2.701	1	10		FFCFRO
COc1ccc(N2CC[N+]3(CC2)CCN(c2ccc(OC)cc2)CC3)cc1	ZINC000066112167	536706815	/nfs/dbraw/zinc/70/68/15/536706815.db2.gz	ISMKCEJMORUEBE-UHFFFAOYSA-N	1	0	368.501	2.861	1	10		FFCFRO
CCOC(=O)c1cc2/c(=C/c3ccc(N(C)C)cc3)c3ccccc3n2[n+]1C	ZINC000001861417	204020353	/nfs/dbraw/zinc/02/03/53/204020353.db2.gz	VHGCNXMOELXCTJ-UHFFFAOYSA-N	1	0	374.464	2.707	3	10		FFCFRO
Oc1ccc([C@H]2C[NH2+]CCc3c(Br)c(O)c(O)cc32)cc1	ZINC000026392300	203930275	/nfs/dbraw/zinc/93/02/75/203930275.db2.gz	NXZHRTOUXSRPEU-CYBMUJFWSA-N	1	0	350.212	2.844	1	10		FFCFRO
CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)C[N@H+](C)[C@@H]1C2	ZINC000040374183	208249029	/nfs/dbraw/zinc/24/90/29/208249029.db2.gz	ZEFUXHZOYKLEME-WNEFFWMYSA-N	1	0	370.493	2.934	1	10		FFCFRO
COc1ccc2c(c1O)C[N+]1(C)CCc3cc(OC)c(OC)c(O)c3[C@@H]1C2	ZINC000013383100	717107924	/nfs/dbraw/zinc/10/79/24/717107924.db2.gz	HYWIKTJORZAXSP-UEDXYCIISA-O	1	0	372.441	2.924	1	10		FFCFRO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3cccnc3)C[N@H+](C)[C@@H]1C2	ZINC000103297424	209252177	/nfs/dbraw/zinc/25/21/77/209252177.db2.gz	GXYMMCCJFLLRKX-NYSBEXSLSA-N	1	0	374.488	2.963	1	10		FFCFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCN(C)CC2)c1	ZINC000005886878	207122237	/nfs/dbraw/zinc/12/22/37/207122237.db2.gz	MDHPNNRZTCNVCP-WCWDXBQESA-N	1	0	374.880	2.770	1	10		FFCFRO
CCCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)C[N@H+](C)[C@@H]1C2	ZINC000040791338	208270031	/nfs/dbraw/zinc/27/00/31/208270031.db2.gz	CPXHYIINMNPGCJ-VDZJLULYSA-N	1	0	356.466	2.547	1	10		FFCFRO
COc1ccc(N2CCC([N@@H+]3C[C@H](NC(C)=O)[C@@H](C(C)C)C3)CC2)cc1	ZINC000091807066	536669319	/nfs/dbraw/zinc/66/93/19/536669319.db2.gz	OPGWIZAPFXBAFB-RTWAWAEBSA-N	1	0	359.514	2.757	1	10		FFCFRO
Cc1ccc(NC(=O)CC[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1	ZINC000027557472	211466382	/nfs/dbraw/zinc/46/63/82/211466382.db2.gz	YLDUWQWTKOZTAF-IFXJQAMLSA-N	1	0	358.438	2.837	1	10		FFCFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCOCC2)c1	ZINC000013471962	220068285	/nfs/dbraw/zinc/06/82/85/220068285.db2.gz	DIWISMVJGBGRMV-GHVJWSGMSA-N	1	0	361.837	2.855	1	10		FFCFRO
CCCCNC(=O)CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000027556006	220537695	/nfs/dbraw/zinc/53/76/95/220537695.db2.gz	PQNQMBIARNBTDX-KDOFPFPSSA-N	1	0	352.475	2.586	1	10		FFCFRO
C[NH+](C)CCNC(=O)c1cc2cc(O)ccc2c2nc3ccccc3nc12	ZINC000013586914	220077536	/nfs/dbraw/zinc/07/75/36/220077536.db2.gz	RYNFOBGWVLCVAS-UHFFFAOYSA-N	1	0	360.417	2.933	1	10		FFCFRO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3ccccn3)C[N@H+](C)[C@@H]1C2	ZINC000103297431	222333379	/nfs/dbraw/zinc/33/33/79/222333379.db2.gz	LMYXHGKJYADDMG-RRMPHLOHSA-N	1	0	374.488	2.963	1	10		FFCFRO
Cc1ccc2c(c1)C(=O)c1c-2n(CCC[NH3+])c(=O)c2cc([N+](=O)[O-])ccc12	ZINC000028711240	220581643	/nfs/dbraw/zinc/58/16/43/220581643.db2.gz	WEXCWGCGFRCUPQ-UHFFFAOYSA-N	1	0	363.373	2.778	1	10		FFCFRO
CC(=O)Nc1ccc2c3c(n(CCC[NH3+])c(=O)c2c1)-c1ccccc1C3=O	ZINC000095554787	221959832	/nfs/dbraw/zinc/95/98/32/221959832.db2.gz	OAMSLKFEKYILAD-UHFFFAOYSA-N	1	0	361.401	2.520	1	10		FFCFRO
C/C=C1\C[N@H+]2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913516	291056025	/nfs/dbraw/zinc/05/60/25/291056025.db2.gz	CZQHEAVUHGUKFA-WJOBHLERSA-N	1	0	368.477	2.595	1	10	biogenic,in-vitro	FFCFRO
CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000005665044	204219145	/nfs/dbraw/zinc/21/91/45/204219145.db2.gz	CORRSDVKHOZJKJ-UHFFFAOYSA-N	1	0	350.418	2.534	1	10		FFCFRO
COc1cc(C[C@@]2(C)[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC	ZINC000169331693	206252226	/nfs/dbraw/zinc/25/22/26/206252226.db2.gz	BCUZEPZVPVYWJT-HXUWFJFHSA-N	1	0	359.422	2.727	1	10		FFCFRO
C/C=C1/C[N@H+]2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC	ZINC000095913515	291055469	/nfs/dbraw/zinc/05/54/69/291055469.db2.gz	CZQHEAVUHGUKFA-MCBBHXORSA-N	1	0	368.477	2.595	1	10	biogenic,in-vitro	FFCFRO
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OCCO)C[N@H+](C)[C@@H]1C2	ZINC000040791339	205081756	/nfs/dbraw/zinc/08/17/56/205081756.db2.gz	CPXHYIINMNPGCJ-KVSKMBFKSA-N	1	0	356.466	2.547	1	10		FFCFRO
CCOC(=O)c1cccc2[nH]c(-c3ccc(N4CC[C@@H]([NH3+])C4)cc3)nc21	ZINC000063540122	205293482	/nfs/dbraw/zinc/29/34/82/205293482.db2.gz	ZVEAATAOCUCEDL-CQSZACIVSA-N	1	0	350.422	2.944	1	10		FFCFRO
COc1cc(CN2CCN(c3ccc4c(c3)OCCO4)CC2)ccc1[18F]	ZINC000102906354	132236167	/nfs/dbraw/zinc/23/61/67/132236167.db2.gz	OSBMHRHGAFUBCG-GJQNQZCXSA-N	1	0	357.416	2.928	1	10		FFCFRO
NC(=[NH2+])NCCC[C@@H](Nc1c2ccccc2[nH+]c2ccccc21)C(=O)[O-]	ZINC000005883651	204229223	/nfs/dbraw/zinc/22/92/23/204229223.db2.gz	ZGDSAZAHLPCXAT-MRXNPFEDSA-N	1	0	351.410	2.516	1	10		FFCFRO
c1ccc2c(c1)CC(C[NH+]1CCN(c3ccc4c(c3)OCCO4)CC1)C2	ZINC000027555955	132916720	/nfs/dbraw/zinc/91/67/20/132916720.db2.gz	CYPJMEGEBKHODC-UHFFFAOYSA-N	1	0	350.462	2.995	1	10		FFCFRO
COc1cccc2c1C(=O)c1c(OC)cc(C[n+]3ccccc3)cc1C2=O	ZINC000095589659	209083149	/nfs/dbraw/zinc/08/31/49/209083149.db2.gz	VXCAWHYTXVHXIE-UHFFFAOYSA-N	1	0	360.389	2.815	1	10		FFCFRO
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(C)n(-c2ccccc2Cl)c1C	ZINC000095614989	209084877	/nfs/dbraw/zinc/08/48/77/209084877.db2.gz	ZUKQHVDBUYFYRN-LPHOPBHVSA-N	1	0	374.916	2.785	1	10		FFCFRO
Oc1ccc([C@@H]2C[NH2+]CCc3c(Br)c(O)c(O)cc32)cc1	ZINC000026392296	210242647	/nfs/dbraw/zinc/24/26/47/210242647.db2.gz	NXZHRTOUXSRPEU-ZDUSSCGKSA-N	1	0	350.212	2.844	1	10		FFCFRO
Cc1ccc(C(=O)NCCC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1	ZINC000027722432	211470807	/nfs/dbraw/zinc/47/08/07/211470807.db2.gz	PLZBSKZNQBCFLR-YWZLYKJASA-N	1	0	372.465	2.628	1	10		FFCFRO
COc1cc(C[C@@H]2[NH2+]CCc3cc(O)c(O)c(F)c32)cc(OC)c1OC	ZINC000025421584	210238464	/nfs/dbraw/zinc/23/84/64/210238464.db2.gz	MKRDKFSQEPQZSX-LBPRGKRZSA-N	1	0	363.385	2.692	1	10		FFCFRO
CCCCNC(=O)CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000027556003	211468055	/nfs/dbraw/zinc/46/80/55/211468055.db2.gz	PQNQMBIARNBTDX-KBXCAEBGSA-N	1	0	352.475	2.586	1	10		FFCFRO
C[NH+](C)CCNC(=O)c1cc2cccc(N)c2c2nc3ccccc3nc12	ZINC000013586912	220076774	/nfs/dbraw/zinc/07/67/74/220076774.db2.gz	GGEIKUVBEPURBU-UHFFFAOYSA-N	1	0	359.433	2.810	1	10		FFCFRO
C[NH2+]CCNC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc21	ZINC000027864670	220548928	/nfs/dbraw/zinc/54/89/28/220548928.db2.gz	DXQHXRYHZWUMEW-UHFFFAOYSA-N	1	0	360.417	2.894	1	10		FFCFRO
COc1ccc(N2CC[N+]3(CCN(CCc4ccccc4)CC3)CC2)cc1	ZINC000066112166	536706883	/nfs/dbraw/zinc/70/68/83/536706883.db2.gz	IKWBMXFSEHTWHX-UHFFFAOYSA-N	1	0	366.529	2.890	1	10		FFCFRO