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)[NH2+]Cc1cc(C[NH3+])ccc1[O-]	725269318	537930682	/nfs/dbraw/zinc/93/06/82/537930682.db2.gz	QRVDHFDXYVJVFF-UHFFFAOYSA-N	1	3	194.278	1.349	10	10		ADCEHO
[NH3+]Cc1ccc([O-])c([C@@H]([NH3+])C2CC2)c1	211735503	573401178	/nfs/dbraw/zinc/40/11/78/573401178.db2.gz	XKKHVBAMNSCVCV-NSHDSACASA-N	1	3	192.262	1.261	10	10		ADCEHO
N[C@@H](c1ccccc1O)[C@@H]1CC[NH2+]C1	257836604	573601867	/nfs/dbraw/zinc/60/18/67/573601867.db2.gz	KWMLHTAMFFJMEM-LDYMZIIASA-N	1	3	192.262	1.002	10	10		ADCEHO
C[C@@H](c1ccc([O-])c(C[NH3+])c1)[NH+](C)C	257889729	573872157	/nfs/dbraw/zinc/87/21/57/573872157.db2.gz	WYHGPDZZQLOHGN-QMMMGPOBSA-N	1	3	194.278	1.474	10	10		ADCEHO
CC(C)[C@@H]([NH3+])c1cc(C[NH3+])ccc1[O-]	104515881	574021781	/nfs/dbraw/zinc/02/17/81/574021781.db2.gz	LLGPNKGOVUEIIQ-LLVKDONJSA-N	1	3	194.278	1.507	10	10		ADCEHO
[NH3+]Cc1ccc([O-])c([C@H]([NH3+])C2CC2)c1	104512457	574022079	/nfs/dbraw/zinc/02/20/79/574022079.db2.gz	XKKHVBAMNSCVCV-LLVKDONJSA-N	1	3	192.262	1.261	10	10		ADCEHO
CC[C@@H]([NH3+])c1cc(C[NH3+])ccc1[O-]	104515057	574022683	/nfs/dbraw/zinc/02/26/83/574022683.db2.gz	GPZRKTXOGIKINS-SECBINFHSA-N	1	3	180.251	1.261	10	10		ADCEHO
C[C@H]([NH2+]CCC[NH3+])c1ccccc1[O-]	37713185	674059798	/nfs/dbraw/zinc/05/97/98/674059798.db2.gz	ACHVPFTZZUZHDZ-VIFPVBQESA-N	1	3	194.278	1.392	10	10		ADCEHO
C[C@@H]([NH2+]CCC[NH3+])c1ccccc1[O-]	37713186	674059882	/nfs/dbraw/zinc/05/98/82/674059882.db2.gz	ACHVPFTZZUZHDZ-SECBINFHSA-N	1	3	194.278	1.392	10	10		ADCEHO
[NH3+]CCCC[NH2+]Cc1ccccc1[O-]	37714749	572181473	/nfs/dbraw/zinc/18/14/73/572181473.db2.gz	HPEKBZXXBRQTGM-UHFFFAOYSA-N	1	3	194.278	1.221	10	10		ADCEHO
CC[C@@H]([NH3+])c1cc(CC[NH3+])ccc1[O-]	238272573	572501760	/nfs/dbraw/zinc/50/17/60/572501760.db2.gz	VVEKPJBXHRJZIA-SNVBAGLBSA-N	1	3	194.278	1.303	10	10		ADCEHO
CC[C@H]([NH3+])c1cc(CC[NH3+])ccc1[O-]	238311833	572551467	/nfs/dbraw/zinc/55/14/67/572551467.db2.gz	VVEKPJBXHRJZIA-JTQLQIEISA-N	1	3	194.278	1.303	10	10		ADCEHO
C[NH2+][C@H](C)c1cc(CC[NH3+])ccc1[O-]	238330333	572563275	/nfs/dbraw/zinc/56/32/75/572563275.db2.gz	UEONHOZDRCBGRT-MRVPVSSYSA-N	1	3	194.278	1.174	10	10		ADCEHO
Cc1cc(C[NH3+])cc(C[NH+](C)C)c1[O-]	82894899	573264265	/nfs/dbraw/zinc/26/42/65/573264265.db2.gz	LZNPZVNKCXUZFO-UHFFFAOYSA-N	1	3	194.278	1.221	10	10		ADCEHO
C[C@H](c1cc(C[NH3+])ccc1[O-])[NH+](C)C	257811596	573428486	/nfs/dbraw/zinc/42/84/86/573428486.db2.gz	BHSVDUCLIFDPGY-MRVPVSSYSA-N	1	3	194.278	1.474	10	10		ADCEHO
N[C@H](c1ccccc1O)[C@H]1CC[NH2+]C1	257836603	573604403	/nfs/dbraw/zinc/60/44/03/573604403.db2.gz	KWMLHTAMFFJMEM-KWQFWETISA-N	1	3	192.262	1.002	10	10		ADCEHO
N[C@@H](c1ccccc1O)[C@H]1CC[NH2+]C1	257836601	573604449	/nfs/dbraw/zinc/60/44/49/573604449.db2.gz	KWMLHTAMFFJMEM-GZMMTYOYSA-N	1	3	192.262	1.002	10	10		ADCEHO
N[C@H](c1ccccc1O)[C@@H]1CC[NH2+]C1	257836602	573605460	/nfs/dbraw/zinc/60/54/60/573605460.db2.gz	KWMLHTAMFFJMEM-KCJUWKMLSA-N	1	3	192.262	1.002	10	10		ADCEHO
CC(C)([NH3+])c1cc(C[NH3+])ccc1[O-]	238148230	573829276	/nfs/dbraw/zinc/82/92/76/573829276.db2.gz	ICJROMUGOZSXDA-UHFFFAOYSA-N	1	3	180.251	1.045	10	10		ADCEHO
C[C@H](c1ccc([O-])c(C[NH3+])c1)[NH+](C)C	257889727	573868217	/nfs/dbraw/zinc/86/82/17/573868217.db2.gz	WYHGPDZZQLOHGN-MRVPVSSYSA-N	1	3	194.278	1.474	10	10		ADCEHO
C[C@@H]([NH3+])c1ccc([O-])c(C[NH+](C)C)c1	104521983	574024841	/nfs/dbraw/zinc/02/48/41/574024841.db2.gz	MYJSFFVJEAXFFG-MRVPVSSYSA-N	1	3	194.278	1.474	10	10		ADCEHO
[NH3+]Cc1ccc([O-])c([C@H]2CCC[NH2+]2)c1	72201638	169223785	/nfs/dbraw/zinc/22/37/85/169223785.db2.gz	QBFSQUPNYCBLCN-SNVBAGLBSA-N	1	3	192.262	1.275	10	10		ADCEHO
[NH3+]Cc1ccc([O-])c([C@@H]2CCC[NH2+]2)c1	72201637	169223817	/nfs/dbraw/zinc/22/38/17/169223817.db2.gz	QBFSQUPNYCBLCN-JTQLQIEISA-N	1	3	192.262	1.275	10	10		ADCEHO
S=C1C=CC2[NH2+]CCC2=C1	89209675	169461809	/nfs/dbraw/zinc/46/18/09/169461809.db2.gz	DTCCEXWNRXDNAC-MRVPVSSYSA-N	1	3	151.234	1.214	10	10		ADCEHO
CCN(CC)C1=CCC([N+]#N)C=C1	118270538	343774893	/nfs/dbraw/zinc/77/48/93/343774893.db2.gz	YZYFPMLAGIGAJJ-UHFFFAOYSA-N	1	3	177.251	1.843	10	10		ADCEHO
S=C1C=CC2[NH2+]CCC2=C1	89209672	351663189	/nfs/dbraw/zinc/66/31/89/351663189.db2.gz	DTCCEXWNRXDNAC-QMMMGPOBSA-N	1	3	151.234	1.214	10	10		ADCEHO
Cc1ccc([C@@H]([NH3+])CCC[NH3+])c([O-])c1	575437838	352202951	/nfs/dbraw/zinc/20/29/51/352202951.db2.gz	AXONYVMBKSOIKU-JTQLQIEISA-N	1	3	194.278	1.439	10	10		ADCEHO
Cc1ccc([C@H]([NH3+])CCC[NH3+])c([O-])c1	575437990	352202954	/nfs/dbraw/zinc/20/29/54/352202954.db2.gz	AXONYVMBKSOIKU-SNVBAGLBSA-N	1	3	194.278	1.439	10	10		ADCEHO
Cc1cccc([C@H]([NH3+])CCC[NH3+])c1[O-]	575438463	352203264	/nfs/dbraw/zinc/20/32/64/352203264.db2.gz	KZXAQBHGHRSXTH-SNVBAGLBSA-N	1	3	194.278	1.439	10	10		ADCEHO
Cc1cccc([C@@H]([NH3+])CCC[NH3+])c1[O-]	575438464	352203448	/nfs/dbraw/zinc/20/34/48/352203448.db2.gz	KZXAQBHGHRSXTH-JTQLQIEISA-N	1	3	194.278	1.439	10	10		ADCEHO
[NH3+]CCCC[C@@H]([NH3+])c1ccccc1[O-]	575439395	352203865	/nfs/dbraw/zinc/20/38/65/352203865.db2.gz	IOMJOQVVAMIOLN-SNVBAGLBSA-N	1	3	194.278	1.521	10	10		ADCEHO
[NH3+]CCC[C@H]([NH3+])c1cc(F)ccc1[O-]	575439728	352203919	/nfs/dbraw/zinc/20/39/19/352203919.db2.gz	VOBFKSJHFRLACD-VIFPVBQESA-N	1	3	198.241	1.270	10	10		ADCEHO
[NH3+]CCC[C@@H]([NH3+])c1cc(F)ccc1[O-]	575439161	352204071	/nfs/dbraw/zinc/20/40/71/352204071.db2.gz	VOBFKSJHFRLACD-SECBINFHSA-N	1	3	198.241	1.270	10	10		ADCEHO
Cc1ccc([O-])c([C@H]([NH3+])CCC[NH3+])c1	575440287	352204636	/nfs/dbraw/zinc/20/46/36/352204636.db2.gz	ZMPNBOMQOXKYPM-SNVBAGLBSA-N	1	3	194.278	1.439	10	10		ADCEHO
[NH3+]CCC[C@@H]([NH3+])c1ccccc1[O-]	575440267	352204646	/nfs/dbraw/zinc/20/46/46/352204646.db2.gz	YFFHCQILGZIAOJ-SECBINFHSA-N	1	3	180.251	1.131	10	10		ADCEHO
[NH3+]CCC[C@H]([NH3+])c1ccccc1[O-]	575440485	352204757	/nfs/dbraw/zinc/20/47/57/352204757.db2.gz	YFFHCQILGZIAOJ-VIFPVBQESA-N	1	3	180.251	1.131	10	10		ADCEHO
[NH3+]CCCC[C@H]([NH3+])c1ccccc1[O-]	575440082	352204832	/nfs/dbraw/zinc/20/48/32/352204832.db2.gz	IOMJOQVVAMIOLN-JTQLQIEISA-N	1	3	194.278	1.521	10	10		ADCEHO
Cc1ccc([O-])c([C@@H]([NH3+])CCC[NH3+])c1	575440496	352204861	/nfs/dbraw/zinc/20/48/61/352204861.db2.gz	ZMPNBOMQOXKYPM-JTQLQIEISA-N	1	3	194.278	1.439	10	10		ADCEHO
C[C@@H](c1cc(C[NH3+])ccc1[O-])[NH+](C)C	257811597	573427507	/nfs/dbraw/zinc/42/75/07/573427507.db2.gz	BHSVDUCLIFDPGY-QMMMGPOBSA-N	1	3	194.278	1.474	10	10		ADCEHO
C[NH2+][C@@H](C)c1cc(C[NH3+])ccc1[O-]	257904926	573934589	/nfs/dbraw/zinc/93/45/89/573934589.db2.gz	PLWLQJAZRKSOII-ZETCQYMHSA-N	1	3	180.251	1.131	10	10		ADCEHO
C[NH2+][C@H](C)c1cc(C[NH3+])ccc1[O-]	257904924	573934297	/nfs/dbraw/zinc/93/42/97/573934297.db2.gz	PLWLQJAZRKSOII-SSDOTTSWSA-N	1	3	180.251	1.131	10	10		ADCEHO