smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2cccc(C)c2)cc1	ZINC000216805711	557156218	/nfs/dbraw/zinc/15/62/18/557156218.db2.gz	QZSBVOFUDQGEPV-UHFFFAOYSA-N	1	0	429.586	2.705	40	70		IFIBRO
C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1	ZINC000216824796	557156757	/nfs/dbraw/zinc/15/67/57/557156757.db2.gz	XTXWRBFHAHZIPO-CYBMUJFWSA-N	1	0	434.389	2.605	40	70		IFIBRO
Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NC1CC[NH+](C)CC1	ZINC000216836705	557156872	/nfs/dbraw/zinc/15/68/72/557156872.db2.gz	JTFAFMYITFLGMW-UHFFFAOYSA-N	1	0	435.521	2.524	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1	ZINC000216932919	557162828	/nfs/dbraw/zinc/16/28/28/557162828.db2.gz	AIFXVVQJNXYHMB-UHFFFAOYSA-N	1	0	433.549	2.869	40	70		IFIBRO
CC(C)c1ccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216934987	557163041	/nfs/dbraw/zinc/16/30/41/557163041.db2.gz	CDDNBZSGVCNWMW-UHFFFAOYSA-N	1	0	444.601	2.967	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000216939718	557164353	/nfs/dbraw/zinc/16/43/53/557164353.db2.gz	UTNYGDWIYKCEPP-UHFFFAOYSA-N	1	0	433.549	2.869	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1	ZINC000216945083	557164589	/nfs/dbraw/zinc/16/45/89/557164589.db2.gz	HCFGHQICMHAJPP-UHFFFAOYSA-N	1	0	427.998	2.976	40	70		IFIBRO
C[NH+]1CCN(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)CC1	ZINC000217010205	557166496	/nfs/dbraw/zinc/16/64/96/557166496.db2.gz	WBQMVMMHMAUQIM-UHFFFAOYSA-N	1	0	426.399	2.879	40	70		IFIBRO
CSc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCCCCC1	ZINC000217017231	557166887	/nfs/dbraw/zinc/16/68/87/557166887.db2.gz	PBIOEWIIQIUEAR-UHFFFAOYSA-N	1	0	425.620	2.797	40	70		IFIBRO
Cc1ccc(CN(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000216801423	557155924	/nfs/dbraw/zinc/15/59/24/557155924.db2.gz	QYGJSYWXVKLTCX-UHFFFAOYSA-N	1	0	429.586	2.705	40	70		IFIBRO
C[NH+]1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216798758	557155970	/nfs/dbraw/zinc/15/59/70/557155970.db2.gz	GWSGWNVRQCIPOP-UHFFFAOYSA-N	1	0	435.977	2.741	40	70		IFIBRO
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)c(C)c1	ZINC000216819651	557156344	/nfs/dbraw/zinc/15/63/44/557156344.db2.gz	HNZOPFFWXFZQFX-QFIPXVFZSA-N	1	0	443.613	2.712	40	70		IFIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccc(F)cc2)cc1	ZINC000216804607	557156355	/nfs/dbraw/zinc/15/63/55/557156355.db2.gz	JZROGSCKNPQCOZ-UHFFFAOYSA-N	1	0	433.549	2.535	40	70		IFIBRO
CCN(c1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O	ZINC000216949523	557164987	/nfs/dbraw/zinc/16/49/87/557164987.db2.gz	GEPVXARXGSLLGD-UHFFFAOYSA-N	1	0	445.585	2.876	40	70		IFIBRO
COc1ccc(CNC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1	ZINC000217564004	557171480	/nfs/dbraw/zinc/17/14/80/557171480.db2.gz	SCZCOHIZVQWVAV-NRYAXDJKSA-N	1	0	435.568	2.949	40	70		IFIBRO
C[NH+]1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1	ZINC000216840981	557157428	/nfs/dbraw/zinc/15/74/28/557157428.db2.gz	RITBWAYZYKPFET-UHFFFAOYSA-N	1	0	441.597	2.971	40	70		IFIBRO
COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CC[NH+](C)CC2)cc1OC	ZINC000216921108	557162508	/nfs/dbraw/zinc/16/25/08/557162508.db2.gz	MRHGCQQQALYULN-UHFFFAOYSA-N	1	0	425.529	2.957	40	70		IFIBRO
CCc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000216933570	557162769	/nfs/dbraw/zinc/16/27/69/557162769.db2.gz	FSNOKFAKFITGAX-UHFFFAOYSA-N	1	0	429.586	2.963	40	70		IFIBRO
COc1ccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216935335	557163522	/nfs/dbraw/zinc/16/35/22/557163522.db2.gz	DJVHKXIBHTXWRT-UHFFFAOYSA-N	1	0	447.557	2.573	40	70		IFIBRO
Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216943323	557164535	/nfs/dbraw/zinc/16/45/35/557164535.db2.gz	DZBQVVAQQJPYDO-IBGZPJMESA-N	1	0	444.601	2.848	40	70		IFIBRO
Cc1cc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1NS(C)(=O)=O	ZINC000216944667	557164660	/nfs/dbraw/zinc/16/46/60/557164660.db2.gz	OSLLZWFGDCRWPK-UHFFFAOYSA-N	1	0	431.558	2.770	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1	ZINC000217020231	557166828	/nfs/dbraw/zinc/16/68/28/557166828.db2.gz	PFVCYWMXEJICAN-QFIPXVFZSA-N	1	0	435.634	2.509	40	70		IFIBRO
O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000217562738	557171536	/nfs/dbraw/zinc/17/15/36/557171536.db2.gz	KNFDXNCZWASWKH-FVJLSDCUSA-N	1	0	435.524	2.991	40	70		IFIBRO
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)cc1C	ZINC000216831416	557156590	/nfs/dbraw/zinc/15/65/90/557156590.db2.gz	MLIOZTHYACAFOH-UHFFFAOYSA-N	1	0	431.558	2.693	40	70		IFIBRO
COc1ccc(S(=O)(=O)N(CC(=O)NCCC2CC[NH+](C)CC2)c2ccccc2)cc1	ZINC000216937087	557163473	/nfs/dbraw/zinc/16/34/73/557163473.db2.gz	UNLIJRMJKRKLHM-UHFFFAOYSA-N	1	0	445.585	2.739	40	70		IFIBRO
C[C@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000216942630	557164528	/nfs/dbraw/zinc/16/45/28/557164528.db2.gz	QTJQKNHAEZNUQX-CYBMUJFWSA-N	1	0	436.405	2.996	40	70		IFIBRO
CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3CC[NH+](C)CC3)CC2)cc1	ZINC000217036214	557167135	/nfs/dbraw/zinc/16/71/35/557167135.db2.gz	OBSBZWULNLIKIE-UHFFFAOYSA-N	1	0	439.647	2.657	40	70		IFIBRO
Cc1ccc(N(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216934298	557163171	/nfs/dbraw/zinc/16/31/71/557163171.db2.gz	OWCIUTVRLXRQMG-UHFFFAOYSA-N	1	0	445.585	2.550	40	70		IFIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1	ZINC000216935763	557163603	/nfs/dbraw/zinc/16/36/03/557163603.db2.gz	YJSKYRKVPXSWEY-UHFFFAOYSA-N	1	0	435.521	2.703	40	70		IFIBRO
COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1C(=O)N1CCCCCC1	ZINC000216943019	557164552	/nfs/dbraw/zinc/16/45/52/557164552.db2.gz	SMVBTTHPWGAMGI-UHFFFAOYSA-N	1	0	437.606	2.722	40	70		IFIBRO
Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216944200	557164703	/nfs/dbraw/zinc/16/47/03/557164703.db2.gz	XJSUKHHLBYIMQN-UHFFFAOYSA-N	1	0	431.558	2.770	40	70		IFIBRO
Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC[NH+](C)CC2)c(C)c1	ZINC000216819692	557156251	/nfs/dbraw/zinc/15/62/51/557156251.db2.gz	HNZOPFFWXFZQFX-JOCHJYFZSA-N	1	0	443.613	2.712	40	70		IFIBRO
Cc1cccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216934178	557163020	/nfs/dbraw/zinc/16/30/20/557163020.db2.gz	AWNDVCOMNDNBTE-UHFFFAOYSA-N	1	0	431.558	2.873	40	70		IFIBRO
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216939382	557163906	/nfs/dbraw/zinc/16/39/06/557163906.db2.gz	GREUHDGERGQUMX-SFHVURJKSA-N	1	0	430.574	2.540	40	70		IFIBRO
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)cc1	ZINC000216939873	557164355	/nfs/dbraw/zinc/16/43/55/557164355.db2.gz	SRPFVLCWTHUHMS-UHFFFAOYSA-N	1	0	445.585	2.982	40	70		IFIBRO
Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1C	ZINC000216939519	557164392	/nfs/dbraw/zinc/16/43/92/557164392.db2.gz	VRJQNFNOJPTWIH-IBGZPJMESA-N	1	0	444.601	2.848	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1	ZINC000217018595	557166912	/nfs/dbraw/zinc/16/69/12/557166912.db2.gz	ZUTUHAGFXABJMW-UHFFFAOYSA-N	1	0	442.025	2.730	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1	ZINC000217020188	557166948	/nfs/dbraw/zinc/16/69/48/557166948.db2.gz	PFVCYWMXEJICAN-JOCHJYFZSA-N	1	0	435.634	2.509	40	70		IFIBRO
CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)C2CCCCC2)cc1	ZINC000216814674	557156233	/nfs/dbraw/zinc/15/62/33/557156233.db2.gz	ASTNRAKLVTVFEY-UHFFFAOYSA-N	1	0	437.606	2.619	40	70		IFIBRO
COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000217018043	557166832	/nfs/dbraw/zinc/16/68/32/557166832.db2.gz	LEVHMKBZZRDALE-UHFFFAOYSA-N	1	0	432.542	2.566	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1	ZINC000217018532	557166927	/nfs/dbraw/zinc/16/69/27/557166927.db2.gz	IGCZVLLRZRZAGQ-UHFFFAOYSA-N	1	0	442.025	2.730	40	70		IFIBRO
COc1cccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1	ZINC000216932716	557162880	/nfs/dbraw/zinc/16/28/80/557162880.db2.gz	DVDQRTIRBPVSGN-UHFFFAOYSA-N	1	0	445.585	2.739	40	70		IFIBRO
Cc1ccccc1N(CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O	ZINC000216934074	557163165	/nfs/dbraw/zinc/16/31/65/557163165.db2.gz	AGIORECQYZCPIP-UHFFFAOYSA-N	1	0	445.585	2.550	40	70		IFIBRO
COc1cccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216935245	557163551	/nfs/dbraw/zinc/16/35/51/557163551.db2.gz	QWMWRUYGYNENMP-UHFFFAOYSA-N	1	0	447.557	2.573	40	70		IFIBRO
Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)c1	ZINC000216831715	557156992	/nfs/dbraw/zinc/15/69/92/557156992.db2.gz	YYXJXPFROOKDRD-UHFFFAOYSA-N	1	0	431.558	2.693	40	70		IFIBRO
COc1ccccc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1	ZINC000216933143	557162858	/nfs/dbraw/zinc/16/28/58/557162858.db2.gz	ISYAWBFDTAESSM-UHFFFAOYSA-N	1	0	445.585	2.739	40	70		IFIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216935896	557163481	/nfs/dbraw/zinc/16/34/81/557163481.db2.gz	SRQOXBRVUZUMPI-UHFFFAOYSA-N	1	0	435.521	2.703	40	70		IFIBRO
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1C	ZINC000216939538	557164284	/nfs/dbraw/zinc/16/42/84/557164284.db2.gz	VRJQNFNOJPTWIH-LJQANCHMSA-N	1	0	444.601	2.848	40	70		IFIBRO
COc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1C(=O)N1CCC(C)CC1	ZINC000216947648	557165150	/nfs/dbraw/zinc/16/51/50/557165150.db2.gz	AQUPGHRLSGLMRV-UHFFFAOYSA-N	1	0	437.606	2.578	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1	ZINC000217018652	557166768	/nfs/dbraw/zinc/16/67/68/557166768.db2.gz	UUZISSSKESPVND-UHFFFAOYSA-N	1	0	442.025	2.730	40	70		IFIBRO
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)c(C)c2)cc1	ZINC000216834962	557156959	/nfs/dbraw/zinc/15/69/59/557156959.db2.gz	GNMMLLYNWRNVCF-UHFFFAOYSA-N	1	0	431.558	2.693	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216932961	557162846	/nfs/dbraw/zinc/16/28/46/557162846.db2.gz	OWCYNNYAYOOXGZ-UHFFFAOYSA-N	1	0	433.549	2.869	40	70		IFIBRO
CCOc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000216933746	557163206	/nfs/dbraw/zinc/16/32/06/557163206.db2.gz	BOUWUGPYYYDMSH-UHFFFAOYSA-N	1	0	445.585	2.799	40	70		IFIBRO
C[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000216937452	557163778	/nfs/dbraw/zinc/16/37/78/557163778.db2.gz	VEZGVJUSCDGNBM-QGZVFWFLSA-N	1	0	431.558	2.844	40	70		IFIBRO
C[NH+]1CCC(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1	ZINC000216938980	557163980	/nfs/dbraw/zinc/16/39/80/557163980.db2.gz	AJSKLBVBHMZPOP-UHFFFAOYSA-N	1	0	428.769	2.623	40	70		IFIBRO
Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216939617	557164233	/nfs/dbraw/zinc/16/42/33/557164233.db2.gz	CWCPPVOHNZYLDA-IBGZPJMESA-N	1	0	444.601	2.848	40	70		IFIBRO
CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216942276	557164577	/nfs/dbraw/zinc/16/45/77/557164577.db2.gz	CRTYHRWVLPUFDP-UHFFFAOYSA-N	1	0	445.585	2.876	40	70		IFIBRO
C[NH+]1CCN(c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216946944	557164964	/nfs/dbraw/zinc/16/49/64/557164964.db2.gz	STABTFPSWKDKBD-UHFFFAOYSA-N	1	0	448.564	2.762	40	70		IFIBRO
C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)CC1	ZINC000216949600	557165451	/nfs/dbraw/zinc/16/54/51/557165451.db2.gz	FOYHAWUOYYXYBN-UHFFFAOYSA-N	1	0	435.634	2.509	40	70		IFIBRO
O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218057101	557176460	/nfs/dbraw/zinc/17/64/60/557176460.db2.gz	RRMKGXDODDKGHU-KLGLLFHNSA-N	1	0	434.540	2.925	40	70		IFIBRO
C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1	ZINC000216824832	557156722	/nfs/dbraw/zinc/15/67/22/557156722.db2.gz	XTXWRBFHAHZIPO-ZDUSSCGKSA-N	1	0	434.389	2.605	40	70		IFIBRO
C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1)c1ccccc1	ZINC000216839377	557157417	/nfs/dbraw/zinc/15/74/17/557157417.db2.gz	YONVINXZXQUBOF-GOSISDBHSA-N	1	0	429.586	2.869	40	70		IFIBRO
COc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000216932755	557162777	/nfs/dbraw/zinc/16/27/77/557162777.db2.gz	JBIGAZNFPOZOSY-UHFFFAOYSA-N	1	0	445.585	2.739	40	70		IFIBRO
Cc1ccccc1N(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O	ZINC000216934049	557163055	/nfs/dbraw/zinc/16/30/55/557163055.db2.gz	PNWIFUOCRHNPGP-UHFFFAOYSA-N	1	0	431.558	2.873	40	70		IFIBRO
CCOc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000216933720	557163177	/nfs/dbraw/zinc/16/31/77/557163177.db2.gz	OZIWZUJMBKUOFR-UHFFFAOYSA-N	1	0	445.585	2.799	40	70		IFIBRO
C[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000216937432	557163928	/nfs/dbraw/zinc/16/39/28/557163928.db2.gz	VEZGVJUSCDGNBM-KRWDZBQOSA-N	1	0	431.558	2.844	40	70		IFIBRO
C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1)c1ccccc1	ZINC000216839408	557157422	/nfs/dbraw/zinc/15/74/22/557157422.db2.gz	YONVINXZXQUBOF-SFHVURJKSA-N	1	0	429.586	2.869	40	70		IFIBRO
COc1ccccc1N(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O	ZINC000216937806	557163840	/nfs/dbraw/zinc/16/38/40/557163840.db2.gz	HJDMCKOUCJIMQE-UHFFFAOYSA-N	1	0	447.557	2.573	40	70		IFIBRO
C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000216942616	557164566	/nfs/dbraw/zinc/16/45/66/557164566.db2.gz	QTJQKNHAEZNUQX-ZDUSSCGKSA-N	1	0	436.405	2.996	40	70		IFIBRO
COc1ccc(C)cc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1	ZINC000216933847	557163030	/nfs/dbraw/zinc/16/30/30/557163030.db2.gz	FBQMAMFBNLGYEP-UHFFFAOYSA-N	1	0	445.585	2.718	40	70		IFIBRO
Cc1cccc(N(CC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216934209	557163078	/nfs/dbraw/zinc/16/30/78/557163078.db2.gz	AWCRKONZUKCIIF-UHFFFAOYSA-N	1	0	445.585	2.550	40	70		IFIBRO
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216939401	557164359	/nfs/dbraw/zinc/16/43/59/557164359.db2.gz	GREUHDGERGQUMX-GOSISDBHSA-N	1	0	430.574	2.540	40	70		IFIBRO
COc1ccc(N(CCCC(=O)NCCC2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl	ZINC000216943556	557164562	/nfs/dbraw/zinc/16/45/62/557164562.db2.gz	OHBGCERVUBITEX-UHFFFAOYSA-N	1	0	446.013	2.743	40	70		IFIBRO
Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216943347	557164649	/nfs/dbraw/zinc/16/46/49/557164649.db2.gz	DZBQVVAQQJPYDO-LJQANCHMSA-N	1	0	444.601	2.848	40	70		IFIBRO
CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1	ZINC000216945274	557164942	/nfs/dbraw/zinc/16/49/42/557164942.db2.gz	MEJYUJKKIGHWKN-UHFFFAOYSA-N	1	0	431.558	2.851	40	70		IFIBRO
CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216949840	557165405	/nfs/dbraw/zinc/16/54/05/557165405.db2.gz	KFVCNOHITHRVHS-UHFFFAOYSA-N	1	0	447.557	2.719	40	70		IFIBRO
O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218057037	557176401	/nfs/dbraw/zinc/17/64/01/557176401.db2.gz	RRMKGXDODDKGHU-UVYNTUDKSA-N	1	0	434.540	2.925	40	70		IFIBRO
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)CC1	ZINC000216837980	557157419	/nfs/dbraw/zinc/15/74/19/557157419.db2.gz	XBLLOYVWEMMWTK-UHFFFAOYSA-N	1	0	437.949	2.730	40	70		IFIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)CC1	ZINC000216938016	557163963	/nfs/dbraw/zinc/16/39/63/557163963.db2.gz	KUGXQORXBRLFBH-UHFFFAOYSA-N	1	0	435.521	2.703	40	70		IFIBRO
Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216939636	557164337	/nfs/dbraw/zinc/16/43/37/557164337.db2.gz	CWCPPVOHNZYLDA-LJQANCHMSA-N	1	0	444.601	2.848	40	70		IFIBRO
COc1ccccc1CNC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1	ZINC000217584406	557171672	/nfs/dbraw/zinc/17/16/72/557171672.db2.gz	MDUCHHWJBXGZKD-YYDVJCTNSA-N	1	0	435.568	2.949	40	70		IFIBRO
Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)c1	ZINC000216832004	557157010	/nfs/dbraw/zinc/15/70/10/557157010.db2.gz	ZHBORCXYNOANFK-UHFFFAOYSA-N	1	0	431.558	2.693	40	70		IFIBRO
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1	ZINC000216832290	557157038	/nfs/dbraw/zinc/15/70/38/557157038.db2.gz	ZVXIDWHIEGTAFL-UHFFFAOYSA-N	1	0	437.949	2.730	40	70		IFIBRO
Cc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1NS(C)(=O)=O	ZINC000216944434	557164542	/nfs/dbraw/zinc/16/45/42/557164542.db2.gz	NAXDCLSOTPTONS-UHFFFAOYSA-N	1	0	431.558	2.770	40	70		IFIBRO
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2F)cc1	ZINC000216803339	557156265	/nfs/dbraw/zinc/15/62/65/557156265.db2.gz	CVQFUUXYMBOJLR-UHFFFAOYSA-N	1	0	433.549	2.535	40	70		IFIBRO