smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)C[NH2+]CCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1	ZINC000003930602	561687413	/nfs/dbraw/zinc/68/74/13/561687413.db2.gz	JAOKSQLUELFTBL-UHFFFAOYSA-N	1	0	564.686	3.781	10	0		KHAERO
[NH3+][C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1	ZINC000003933526	561688083	/nfs/dbraw/zinc/68/80/83/561688083.db2.gz	ALVGMHQSSHZIGN-AYRHNUGRSA-N	1	0	542.652	3.593	10	0		KHAERO
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+]	ZINC000003952532	552423612	/nfs/dbraw/zinc/42/36/12/552423612.db2.gz	WURGZWOTGMLDJP-ZCYANPAGSA-N	1	0	528.697	3.709	10	0	investigational	KHAERO
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)CO	ZINC000003982572	552424791	/nfs/dbraw/zinc/42/47/91/552424791.db2.gz	SLEPDNKZXLVSOH-HKWSIXNMSA-N	1	0	583.795	3.720	10	0	in-vitro	KHAERO
CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCSC3)cc2F)CC1	ZINC000004393125	561694740	/nfs/dbraw/zinc/69/47/40/561694740.db2.gz	XEMTYGFOVBXDLG-JOCHJYFZSA-N	1	0	534.698	3.884	10	0		KHAERO
CC[N@H+](CCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2)Cc1ccccc1	ZINC000004757987	552476128	/nfs/dbraw/zinc/47/61/28/552476128.db2.gz	PPAHWWUIEUYQFP-UHFFFAOYSA-N	1	0	550.519	3.550	10	0		KHAERO
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c21	ZINC000004758210	552476179	/nfs/dbraw/zinc/47/61/79/552476179.db2.gz	PJEJEIXUODFRHD-UHFFFAOYSA-N	1	0	506.466	3.691	10	0		KHAERO
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCC[N@@H+](CC)Cc3ccccc3)c21	ZINC000004758344	552476357	/nfs/dbraw/zinc/47/63/57/552476357.db2.gz	XNJUJOMXDNHISX-UHFFFAOYSA-N	1	0	508.482	3.939	10	0		KHAERO
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c21	ZINC000004758867	552476381	/nfs/dbraw/zinc/47/63/81/552476381.db2.gz	KYGPZFCFDQUBQT-UHFFFAOYSA-N	1	0	518.477	3.691	10	0		KHAERO
C[N@H+](CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)Cc1ccccc1	ZINC000004759051	552476459	/nfs/dbraw/zinc/47/64/59/552476459.db2.gz	PZJFDXZBCDEWMJ-UHFFFAOYSA-N	1	0	506.466	3.549	10	0		KHAERO
CC[N@H+](CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)Cc1ccccc1	ZINC000004759065	552476434	/nfs/dbraw/zinc/47/64/34/552476434.db2.gz	SMTVKZONIJFICK-UHFFFAOYSA-N	1	0	520.493	3.939	10	0		KHAERO
C[N@@H+]1CCCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3CNc3cccc(C(N)=[NH2+])c3)cc2)CC1	ZINC000006717042	561702972	/nfs/dbraw/zinc/70/29/72/561702972.db2.gz	OLXNMGAZOATHQI-UHFFFAOYSA-N	1	0	500.603	3.675	10	0		KHAERO
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000009673551	553294123	/nfs/dbraw/zinc/29/41/23/553294123.db2.gz	YATGIYPWGUZWLK-UHFFFAOYSA-N	1	0	520.637	3.806	10	0		KHAERO
C[N@H+](CCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)Cc1ccccc1	ZINC000009673552	553294077	/nfs/dbraw/zinc/29/40/77/553294077.db2.gz	LIUJOVQCJSBEPX-UHFFFAOYSA-N	1	0	508.626	3.663	10	0		KHAERO
Cc1ccc(Cn2c3nnc(CCC(=O)NCCC[NH+]4CCC(C)CC4)n3c3ccccc3c2=O)cc1	ZINC000009831414	553309429	/nfs/dbraw/zinc/30/94/29/553309429.db2.gz	UXUIPMNTJAMBHR-UHFFFAOYSA-N	1	0	500.647	3.572	10	0		KHAERO
CC(C)[N@H+](CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)Cc1ccco1	ZINC000009831442	553309506	/nfs/dbraw/zinc/30/95/06/553309506.db2.gz	VDWDELBHRMPEGI-UHFFFAOYSA-N	1	0	530.604	3.784	10	0		KHAERO
CC1CC[NH+](CCCNC(=O)CCc2nnc3n2c2ccccc2c(=O)n3Cc2ccc(Cl)cc2)CC1	ZINC000009831486	553309502	/nfs/dbraw/zinc/30/95/02/553309502.db2.gz	SKAFCZHSCARHBI-UHFFFAOYSA-N	1	0	521.065	3.917	10	0		KHAERO
CC1CC[NH+](CCCNC(=O)CCc2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2Cl)CC1	ZINC000009831533	553309529	/nfs/dbraw/zinc/30/95/29/553309529.db2.gz	LUTZNNZMAWSJCA-UHFFFAOYSA-N	1	0	521.065	3.917	10	0		KHAERO
CC(C)[N@H+](CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)Cc1ccco1	ZINC000009831566	553309772	/nfs/dbraw/zinc/30/97/72/553309772.db2.gz	JZDIZGHSKQXNNQ-UHFFFAOYSA-N	1	0	526.641	3.839	10	0		KHAERO
CC(C)OCCCn1c2nnc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2c2ccccc2c1=O	ZINC000009831631	553309766	/nfs/dbraw/zinc/30/97/66/553309766.db2.gz	HCZRIRUYMXMVKV-UHFFFAOYSA-N	1	0	530.673	3.573	10	0		KHAERO
CCC[NH+](CCC)CCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2	ZINC000009841416	553311115	/nfs/dbraw/zinc/31/11/15/553311115.db2.gz	ZXGSOYNVAXVDFW-UHFFFAOYSA-N	1	0	530.529	3.540	10	0		KHAERO
Oc1ccc([C@H]2NC=[NH+][C@H]2c2ccc(O)cc2I)c(I)c1	ZINC000013475119	561714625	/nfs/dbraw/zinc/71/46/25/561714625.db2.gz	PSYOLUOXRAVXSM-GASCZTMLSA-N	1	0	506.081	3.721	10	0		KHAERO
CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1Oc1nnnn1-c1ccccc1	ZINC000013729657	553487071	/nfs/dbraw/zinc/48/70/71/553487071.db2.gz	SOXHAZMSVKFCCX-UHFFFAOYSA-N	1	0	515.603	3.711	10	0		KHAERO
COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1Oc1nnnn1-c1ccccc1	ZINC000013729727	553487089	/nfs/dbraw/zinc/48/70/89/553487089.db2.gz	UDXTUCUTCDBWDD-UHFFFAOYSA-N	1	0	515.603	3.711	10	0		KHAERO
COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000013731478	553487134	/nfs/dbraw/zinc/48/71/34/553487134.db2.gz	JFWDMTVVHZINBR-UHFFFAOYSA-N	1	0	504.616	3.879	10	0		KHAERO
C[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)CN3Cc3cccc(F)c3)CC2)CC1	ZINC000015003561	553525141	/nfs/dbraw/zinc/52/51/41/553525141.db2.gz	DRWXYEVSZOOCLD-SXOMAYOGSA-N	1	0	514.686	3.938	10	0		KHAERO
Nc1ccc(S(=O)(=O)c2ccc(N[N+](=O)c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1	ZINC000017250013	561754505	/nfs/dbraw/zinc/75/45/05/561754505.db2.gz	HOOMFHYBRQVZNP-UHFFFAOYSA-N	1	0	509.589	3.954	10	0		KHAERO
Cc1ccc(Cn2c3nnc(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)n3c3ccccc3c2=O)cc1	ZINC000020378204	553643584	/nfs/dbraw/zinc/64/35/84/553643584.db2.gz	DREDPWUNOYKQSG-UHFFFAOYSA-N	1	0	512.658	3.810	10	0		KHAERO
Cc1ccc(Cn2c3nnc(CCC(=O)N4CCC([NH+]5CCCCC5)CC4)n3c3ccccc3c2=O)cc1	ZINC000020378216	553643500	/nfs/dbraw/zinc/64/35/00/553643500.db2.gz	GXPKHGYEDVECFK-UHFFFAOYSA-N	1	0	512.658	3.810	10	0		KHAERO
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1	ZINC000020378227	553643543	/nfs/dbraw/zinc/64/35/43/553643543.db2.gz	DKKVVVVSGKSGGI-UHFFFAOYSA-N	1	0	516.621	3.641	10	0		KHAERO
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1	ZINC000020378239	553643596	/nfs/dbraw/zinc/64/35/96/553643596.db2.gz	IJJXNUFYZMZDJZ-UHFFFAOYSA-N	1	0	516.621	3.641	10	0		KHAERO
O=C(CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)N1CC[NH+](C2CCCCC2)CC1	ZINC000020378279	553643598	/nfs/dbraw/zinc/64/35/98/553643598.db2.gz	OFLHJOLZVQVMHA-UHFFFAOYSA-N	1	0	512.658	3.696	10	0		KHAERO
O=C(CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)N1CCC([NH+]2CCCCC2)CC1	ZINC000020378293	553643815	/nfs/dbraw/zinc/64/38/15/553643815.db2.gz	MTRZWUOHOWVESK-UHFFFAOYSA-N	1	0	512.658	3.696	10	0		KHAERO
CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1	ZINC000020507854	553668035	/nfs/dbraw/zinc/66/80/35/553668035.db2.gz	FMAOXRKINRGCOS-SVBPBHIXSA-N	1	0	502.684	3.983	10	0		KHAERO
CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1	ZINC000020507856	553668115	/nfs/dbraw/zinc/66/81/15/553668115.db2.gz	FMAOXRKINRGCOS-RRPNLBNLSA-N	1	0	502.684	3.983	10	0		KHAERO
CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1	ZINC000020507859	553668110	/nfs/dbraw/zinc/66/81/10/553668110.db2.gz	FMAOXRKINRGCOS-SXOMAYOGSA-N	1	0	502.684	3.983	10	0		KHAERO
CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1	ZINC000020507862	553667969	/nfs/dbraw/zinc/66/79/69/553667969.db2.gz	FMAOXRKINRGCOS-KAYWLYCHSA-N	1	0	502.684	3.983	10	0		KHAERO
COc1cc(CNC(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc(OC)c1	ZINC000020598272	553677202	/nfs/dbraw/zinc/67/72/02/553677202.db2.gz	KWWJASRDHIZUAG-WNCULLNHSA-N	1	0	516.082	3.977	10	0		KHAERO
CCCOc1c(Br)cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Br	ZINC000020926848	553704386	/nfs/dbraw/zinc/70/43/86/553704386.db2.gz	OWLIQYNDTNKMEG-UHFFFAOYSA-N	1	0	506.260	3.980	10	0		KHAERO
CCCOc1c(Br)cc(Br)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1	ZINC000020929754	553704447	/nfs/dbraw/zinc/70/44/47/553704447.db2.gz	NNSFJFUXTOWQPS-UHFFFAOYSA-N	1	0	506.260	3.980	10	0		KHAERO
Cc1cc(-c2cccc(N)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc12	ZINC000028702775	561947301	/nfs/dbraw/zinc/94/73/01/561947301.db2.gz	YVEDOAYWZFTFMS-UHFFFAOYSA-N	1	0	503.632	3.700	10	0		KHAERO
CC[NH+]1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034831856	554017293	/nfs/dbraw/zinc/01/72/93/554017293.db2.gz	KQRYRHHAEIDSPM-UHFFFAOYSA-N	1	0	523.653	3.654	10	0		KHAERO
CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)N4CCN(C)CC4)cc3)n2)CC1	ZINC000036038588	554146801	/nfs/dbraw/zinc/14/68/01/554146801.db2.gz	NKMJQGYVWOMKFI-UHFFFAOYSA-N	1	0	516.715	3.965	10	0		KHAERO
CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccccc1Cl	ZINC000036069276	554166114	/nfs/dbraw/zinc/16/61/14/554166114.db2.gz	RAOUGDGPIAWQRK-UHFFFAOYSA-N	1	0	535.092	3.930	10	0		KHAERO
C[NH2+]C[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1	ZINC000043169206	562646469	/nfs/dbraw/zinc/64/64/69/562646469.db2.gz	GCNDDOJRCKHYLZ-ZXMXYHOLSA-N	1	0	525.090	3.580	10	0	in-vitro	KHAERO
CC[NH+](CC)CCNC(=O)c1cc(I)c(NC(=O)c2ccc(F)cc2)cc1OC	ZINC000043200381	562646851	/nfs/dbraw/zinc/64/68/51/562646851.db2.gz	UPRRZQGAQRAODM-UHFFFAOYSA-N	1	0	513.351	3.763	10	0	investigational	KHAERO
CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(Nc4ccc(C(=O)N5CC[NH2+]CC5)cc4)c4nccn4n3)C2)cc1	ZINC000043204092	562646978	/nfs/dbraw/zinc/64/69/78/562646978.db2.gz	OMPKPNASJNVVGE-AREMUKBSSA-N	1	0	581.725	3.610	10	0		KHAERO
C[C@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O	ZINC000043640942	562650428	/nfs/dbraw/zinc/65/04/28/562650428.db2.gz	AYBCFPXLXOLPIZ-KDYSTLNUSA-N	1	0	567.694	3.637	10	0		KHAERO
CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12	ZINC000049722662	562672346	/nfs/dbraw/zinc/67/23/46/562672346.db2.gz	FYHKPZFIVNTTHR-ZZWVMVCISA-N	1	0	552.474	3.742	10	0		KHAERO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cccc(/C=c4\[nH]c(=O)/c(=C/c5ccccc5)n(C)c4=O)c3)cc1)CC2	ZINC000049916432	562693464	/nfs/dbraw/zinc/69/34/64/562693464.db2.gz	RTIZZWMBGKGLFO-YWQXDYITSA-N	1	0	642.756	3.602	10	0		KHAERO
c1cn(-c2ccc(Oc3nnnn3[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]Cc3ccc(-c4ccccc4)cc3)cc2)cn1	ZINC000067899015	554535527	/nfs/dbraw/zinc/53/55/27/554535527.db2.gz	YZZNFRQPPKFKHA-YVHASNINSA-N	1	0	521.581	3.815	10	0	biogenic	KHAERO
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000071788434	553638856	/nfs/dbraw/zinc/63/88/56/553638856.db2.gz	HPENHHPPSCNZGA-BJPINVTDSA-N	1	0	603.764	3.620	10	0		KHAERO
CC(=O)Oc1cccc(C(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)CO)c1C	ZINC000072130040	553640900	/nfs/dbraw/zinc/64/09/00/553640900.db2.gz	PDWBTEQIUJJWJF-VOULMWPJSA-N	1	0	625.832	3.940	10	0	in-vitro	KHAERO
COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N+]3=C(C[C@@H]21)c1[nH]c2cc(OC)ccc2c1CC3	ZINC000072131105	553642244	/nfs/dbraw/zinc/64/22/44/553642244.db2.gz	AMMZXKADPOCNCB-FRNKBNCOSA-O	1	0	607.680	3.630	10	0	in-vitro	KHAERO
[NH3+][C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077271440	553656274	/nfs/dbraw/zinc/65/62/74/553656274.db2.gz	NYQVYZZGZCNEMF-GFXSQGAMSA-N	1	0	540.815	3.746	10	0	in-vitro	KHAERO
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(I)cc32)c1C	ZINC000084712552	562750812	/nfs/dbraw/zinc/75/08/12/562750812.db2.gz	VUPCSNIDDJPDQG-ATVHPVEESA-N	1	0	506.388	3.800	10	0		KHAERO
CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccc(OC)cc7)[C@@H]5[C@](OC(C)=O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14	ZINC000085541624	553683142	/nfs/dbraw/zinc/68/31/42/553683142.db2.gz	LYUPEIXJYAJCHL-YKLHRILBSA-N	1	0	627.775	3.600	10	0	in-vitro	KHAERO
CC[N@H+](CCCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1	ZINC000095568004	562766230	/nfs/dbraw/zinc/76/62/30/562766230.db2.gz	UHVRUAQUBZYULG-UHFFFAOYSA-N	1	0	521.597	3.890	10	0		KHAERO
COc1cc(CN2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc2c1OCO2	ZINC000100961480	554542381	/nfs/dbraw/zinc/54/23/81/554542381.db2.gz	XUHSXQLZVNMOEG-XWHBCDNOSA-N	1	0	591.778	3.918	10	0		KHAERO
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@H]4CC)C3)c21	ZINC000101328952	554730307	/nfs/dbraw/zinc/73/03/07/554730307.db2.gz	YWFGWDLYNUINLD-IFMALSPDSA-N	1	0	583.593	3.530	10	0		KHAERO
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@@H]4CC)C3)c21	ZINC000101328956	554730241	/nfs/dbraw/zinc/73/02/41/554730241.db2.gz	YWFGWDLYNUINLD-IRLDBZIGSA-N	1	0	583.593	3.530	10	0		KHAERO
Cc1cccc(N2CC[N@@H+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CC(C)C)C[C@@H]2C)c1	ZINC000101533220	554795164	/nfs/dbraw/zinc/79/51/64/554795164.db2.gz	TUXXSMGMHNRNTQ-DEOSSOPVSA-N	1	0	543.716	3.658	10	0		KHAERO
CC(C)OCCCn1c2nnc(CCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2c2ccccc2c1=O	ZINC000101533661	554795322	/nfs/dbraw/zinc/79/53/22/554795322.db2.gz	FBWJFXOWFWEQEW-UHFFFAOYSA-N	1	0	594.160	3.774	10	0		KHAERO
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)c1	ZINC000101533774	554795246	/nfs/dbraw/zinc/79/52/46/554795246.db2.gz	NBCFIRSJDAUZSW-UHFFFAOYSA-N	1	0	587.769	3.737	10	0		KHAERO
Cc1cccc(N2CC[N@@H+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CC(C)C)C[C@H]2C)c1	ZINC000103658189	555461337	/nfs/dbraw/zinc/46/13/37/555461337.db2.gz	TUXXSMGMHNRNTQ-XMMPIXPASA-N	1	0	543.716	3.658	10	0		KHAERO
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5CC[C@@H](CC4=O)[N@@H+]5C)cn3)nc2n1C1CCCC1	ZINC000118592881	562830468	/nfs/dbraw/zinc/83/04/68/562830468.db2.gz	FIMQVRFSGKERNW-PZJWPPBQSA-N	1	0	502.623	3.586	10	0		KHAERO
C[NH2+][C@@H](CNC(=O)N1CCC[C@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@@H]1CCCOC1	ZINC000139873228	571454178	/nfs/dbraw/zinc/45/41/78/571454178.db2.gz	NXWASIVXQMMPLM-SJROBZAFSA-N	1	0	525.090	3.580	10	0		KHAERO
COc1cc(N)c(-c2nnn(-c3ccc(CC[N@@H+]4CCc5cc(OC)c(OC)cc5C4)cc3)n2)cc1OC	ZINC000139968099	571454353	/nfs/dbraw/zinc/45/43/53/571454353.db2.gz	AXPBUYJDGMRABC-UHFFFAOYSA-N	1	0	516.602	3.547	10	0		KHAERO
C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCCC3)C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C	ZINC000195442135	562871870	/nfs/dbraw/zinc/87/18/70/562871870.db2.gz	BXOSMENZWDQMHX-SNZKNPLMSA-N	1	0	569.146	3.856	10	0		KHAERO
COC(=O)NC[C@H](OC[C@@H]1CCCN(C(=O)NC[C@H](C[NH3+])C[C@H]2CCCOC2)C1)c1cccc(Cl)c1	ZINC000209780663	571575306	/nfs/dbraw/zinc/57/53/06/571575306.db2.gz	GSLIURBJBCSFPW-YOEKFXIASA-N	1	0	525.090	3.567	10	0		KHAERO
CC(C)Oc1ccc(CN2CC[NH2+]CC2)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O	ZINC000210903750	562877065	/nfs/dbraw/zinc/87/70/65/562877065.db2.gz	XGKULGPEBBYKCA-UHFFFAOYSA-N	1	0	645.204	3.955	10	0		KHAERO
CCCC[N@H+](C)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000245234350	562881366	/nfs/dbraw/zinc/88/13/66/562881366.db2.gz	AKWHLMBRLCAGNW-HGQALCJKSA-N	1	0	543.108	3.610	10	0		KHAERO
CCCC[N@H+](C)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000245234351	562881370	/nfs/dbraw/zinc/88/13/70/562881370.db2.gz	AKWHLMBRLCAGNW-LNRIAWFQSA-N	1	0	543.108	3.610	10	0		KHAERO
CCCC[N@H+](C)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000245234352	562881376	/nfs/dbraw/zinc/88/13/76/562881376.db2.gz	AKWHLMBRLCAGNW-OEZIKMGYSA-N	1	0	543.108	3.610	10	0		KHAERO
CCCC[N@H+](C)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000245234353	562881382	/nfs/dbraw/zinc/88/13/82/562881382.db2.gz	AKWHLMBRLCAGNW-YVXTWPRQSA-N	1	0	543.108	3.610	10	0		KHAERO
C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCCC3)C(=O)[C@@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@H]1C	ZINC000245234548	562881404	/nfs/dbraw/zinc/88/14/04/562881404.db2.gz	BXOSMENZWDQMHX-BMNVLUNPSA-N	1	0	569.146	3.856	10	0		KHAERO
C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCCC3)C(=O)[C@@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@@H]1C	ZINC000245234550	562881409	/nfs/dbraw/zinc/88/14/09/562881409.db2.gz	BXOSMENZWDQMHX-CGXVFPQSSA-N	1	0	569.146	3.856	10	0		KHAERO
C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCCC3)C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[C@H]4C=C[C@]32O4)[C@H]1C	ZINC000245234553	562881406	/nfs/dbraw/zinc/88/14/06/562881406.db2.gz	BXOSMENZWDQMHX-XANQZHCASA-N	1	0	569.146	3.856	10	0		KHAERO
CCC[NH+](CCC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000245234575	562881407	/nfs/dbraw/zinc/88/14/07/562881407.db2.gz	CGFVYLJHDAKKNU-DOMIEJOPSA-N	1	0	536.717	3.655	10	0		KHAERO
CCC[NH+](CCC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000245234576	562881405	/nfs/dbraw/zinc/88/14/05/562881405.db2.gz	CGFVYLJHDAKKNU-MKOCCIKRSA-N	1	0	536.717	3.655	10	0		KHAERO
CCC[NH+](CCC)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000245234577	562881399	/nfs/dbraw/zinc/88/13/99/562881399.db2.gz	CGFVYLJHDAKKNU-NRRUCQAHSA-N	1	0	536.717	3.655	10	0		KHAERO
CCC[NH+](CCC)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000245234578	562881398	/nfs/dbraw/zinc/88/13/98/562881398.db2.gz	CGFVYLJHDAKKNU-SWNCPKDISA-N	1	0	536.717	3.655	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C	ZINC000245235816	562881431	/nfs/dbraw/zinc/88/14/31/562881431.db2.gz	OFQCJOWGUWVXET-AMDBNHCTSA-N	1	0	568.784	3.780	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C	ZINC000245235817	562881438	/nfs/dbraw/zinc/88/14/38/562881438.db2.gz	OFQCJOWGUWVXET-AOGVWITGSA-N	1	0	568.784	3.780	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	ZINC000245235818	562881433	/nfs/dbraw/zinc/88/14/33/562881433.db2.gz	OFQCJOWGUWVXET-FYDRZDGNSA-N	1	0	568.784	3.780	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C	ZINC000245235819	562881410	/nfs/dbraw/zinc/88/14/10/562881410.db2.gz	OFQCJOWGUWVXET-GWLLIRFYSA-N	1	0	568.784	3.780	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000250052984	562881666	/nfs/dbraw/zinc/88/16/66/562881666.db2.gz	XWSRFSZMLJUCLK-DOMIEJOPSA-N	1	0	536.717	3.690	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000250052989	562881670	/nfs/dbraw/zinc/88/16/70/562881670.db2.gz	XWSRFSZMLJUCLK-MKOCCIKRSA-N	1	0	536.717	3.690	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000250052994	562881679	/nfs/dbraw/zinc/88/16/79/562881679.db2.gz	XWSRFSZMLJUCLK-NRRUCQAHSA-N	1	0	536.717	3.690	10	0		KHAERO
CC[NH+](CC)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000250052997	562881676	/nfs/dbraw/zinc/88/16/76/562881676.db2.gz	XWSRFSZMLJUCLK-SWNCPKDISA-N	1	0	536.717	3.690	10	0		KHAERO
CC(=O)c1nc(-c2ccc(C[C@@H](CNC(=O)C[NH+](C)C)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C	ZINC000306147529	572145419	/nfs/dbraw/zinc/14/54/19/572145419.db2.gz	VHBJNUOZEQTSNN-QHCPKHFHSA-N	1	0	554.091	3.749	10	0		KHAERO
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1CC[NH+](CCCC(F)(F)F)CC1)c1cc2c(cc1Cl)NC(=O)C2	ZINC000521836533	562905805	/nfs/dbraw/zinc/90/58/05/562905805.db2.gz	OTEIUEJPHNOGBG-ACDBMABISA-N	1	0	591.096	3.944	10	0		KHAERO