smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2[nH]c3c(c[n+](CC(=O)NCCCCCCCCNC(=O)C[n+]4cc5c6cc(C)c(C)cc6[nH]c5c5ccccc54)c4ccccc34)c2cc1C	ZINC000008439592	553035942	/nfs/dbraw/zinc/03/59/42/553035942.db2.gz	BENWVMIOSXULPB-UHFFFAOYSA-P	2	0	718.946	8.344	50	30		KKEARP
CCCCCCCCCCOC(=O)C[N+]1(C)CC[N+](C)(CC(=O)OCCCCCCCCCC)CC1	ZINC000100312101	554301279	/nfs/dbraw/zinc/30/12/79/554301279.db2.gz	MLDCIIAFPGBIGR-UHFFFAOYSA-N	2	0	512.820	6.261	50	30		KKEARP
O=C(C[N+]1(CC[N+]2(CC(=O)c3ccc(Br)cc3)CCCCC2)CCCCC1)c1ccc(Br)cc1	ZINC000101649219	554816048	/nfs/dbraw/zinc/81/60/48/554816048.db2.gz	GGXILOTWVNSBNP-UHFFFAOYSA-N	2	0	592.416	6.279	50	30		KKEARP
CC[N+](CC)(CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CC(=O)c3ccc(Br)cc3)ccc1-2)CC(=O)c1ccc(Br)cc1	ZINC000150419220	571486777	/nfs/dbraw/zinc/48/67/77/571486777.db2.gz	IGXDMNATJAPHEH-UHFFFAOYSA-N	2	0	806.636	8.660	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)c(Cl)c3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)c(Cl)c3)[NH+]=C(N)N2)cc1C#N	ZINC000150425823	571490036	/nfs/dbraw/zinc/49/00/36/571490036.db2.gz	JAPHFTXDOPPGAH-LQJZCPKCSA-N	2	0	878.659	6.923	50	30		KKEARP
CCOc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@@H](c5ccccc5OCC)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426937	571491215	/nfs/dbraw/zinc/49/12/15/571491215.db2.gz	QMVXVSWVTPWNGR-BCRBLDSWSA-N	2	0	828.985	5.107	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3)[NH+]=C(N)N2)cc1C#N	ZINC000150426974	571491367	/nfs/dbraw/zinc/49/13/67/571491367.db2.gz	BVWGGTGCCJYKLU-CZFRINIUSA-N	2	0	809.769	5.616	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3Cl)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3Cl)[NH+]=C(N)N2)cc1C#N	ZINC000150426299	571490561	/nfs/dbraw/zinc/49/05/61/571490561.db2.gz	GJTJZLDIBJEEGG-CZNDPXEESA-N	2	0	878.659	6.923	50	30		KKEARP
CCOc1ccc([C@H]2N=C(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@H](c6ccc(OCC)cc6)[NH+]=C(N)N5)cc4C#N)c(C#N)c3)NC(N)=[NH+]2)cc1	ZINC000150426846	571491204	/nfs/dbraw/zinc/49/12/04/571491204.db2.gz	QZIVELCTIVYNQV-FZNHDDJXSA-N	2	0	828.985	5.107	50	30		KKEARP
Brc1ccc(/C=[NH+]/CC23C[C@H]4C[C@@H](C2)CC(C/[NH+]=C\c2ccc(Br)cc2)(C4)C3)cc1	ZINC000250052364	572258937	/nfs/dbraw/zinc/25/89/37/572258937.db2.gz	JNEOYAFNPOAWAH-OVLDJUFPSA-N	2	0	528.332	7.336	50	30		KKEARP
c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1	ZINC000005811600	552509849	/nfs/dbraw/zinc/50/98/49/552509849.db2.gz	PFHLXMMCWCWAMA-UHFFFAOYSA-N	2	0	556.821	10.029	50	30		KKEARP
CCc1cc2n(nc1CC)c1ccccc1[n+]2CCCC#CC#CCCCn1c2ccccc2[n+]2nc(CC)c(CC)cc12	ZINC000008439608	553035927	/nfs/dbraw/zinc/03/59/27/553035927.db2.gz	NQKWECPRKGAAOB-UHFFFAOYSA-N	2	0	582.796	6.380	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccccc3Cl)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3Cl)[NH+]=C(N)N2)cc1C#N	ZINC000150426288	571490632	/nfs/dbraw/zinc/49/06/32/571490632.db2.gz	AGAUWDLUJMBRTQ-CZNDPXEESA-N	2	0	809.769	5.616	50	30		KKEARP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@H]3CC(C)C)[C@@H](CC(C)C)C[N@H+]1CC2	ZINC000102781125	555065971	/nfs/dbraw/zinc/06/59/71/555065971.db2.gz	ROCDXPADLYVOGR-OPCCUNADSA-N	2	0	630.874	7.149	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3)[NH+]=C(N)N2)cc1C#N	ZINC000150426968	571491464	/nfs/dbraw/zinc/49/14/64/571491464.db2.gz	BVWGGTGCCJYKLU-LQJZCPKCSA-N	2	0	809.769	5.616	50	30		KKEARP
CC(=[NH+]N)c1ccc(N2CCN(c3ccc(-c4cc(C5=NN=C(c6ccc(N7CCN(c8ccc(C(C)=[NH+]N)cc8)CC7)cc6)C5)[nH]n4)cc3)CC2)cc1	ZINC000150577640	571521737	/nfs/dbraw/zinc/52/17/37/571521737.db2.gz	VVJGRSKKBPRFDJ-PGZMIIDGSA-N	2	0	718.914	5.503	50	30		KKEARP
CN(C)c1ccc(C=[NH+]C2=C(N3CCN(C4=C([NH+]=Cc5ccc(N(C)C)cc5)C(=O)CC(C)(C)C4)CC3)CC(C)(C)CC2=O)cc1	ZINC000252590835	572266686	/nfs/dbraw/zinc/26/66/86/572266686.db2.gz	AVTSXQOYQSYOAN-UHFFFAOYSA-N	2	0	622.858	6.176	50	30		KKEARP
Clc1ccccc1C[N+]1(CC#Cc2ccc(C#CC[N+]3(Cc4ccccc4Cl)CCCC3)cc2)CCCC1	ZINC000001813935	551706968	/nfs/dbraw/zinc/70/69/68/551706968.db2.gz	YMKUDNTXILUZKA-UHFFFAOYSA-N	2	0	543.582	7.318	50	30		KKEARP
CC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C[NH+]3CCCCC3)c2O)c(O)c(C[NH+]2CCCCC2)c1	ZINC000060290870	554505015	/nfs/dbraw/zinc/50/50/15/554505015.db2.gz	NTAKWENDVXVFPJ-DNJOOXRZSA-N	2	0	574.854	7.203	50	30		KKEARP
CC[N+](CC)(CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CC(=O)OC(C)C)ccc1-2)CC(=O)OC(C)C	ZINC000102685292	555006861	/nfs/dbraw/zinc/00/68/61/555006861.db2.gz	LNCWIRKTFSAYMV-UHFFFAOYSA-N	2	0	612.808	5.272	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3Cl)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3Cl)[NH+]=C(N)N2)cc1C#N	ZINC000150426291	571490544	/nfs/dbraw/zinc/49/05/44/571490544.db2.gz	GJTJZLDIBJEEGG-LQJZCPKCSA-N	2	0	878.659	6.923	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)cc3Cl)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3Cl)[NH+]=C(N)N2)cc1C#N	ZINC000150426296	571490526	/nfs/dbraw/zinc/49/05/26/571490526.db2.gz	GJTJZLDIBJEEGG-CZFRINIUSA-N	2	0	878.659	6.923	50	30		KKEARP
CCn1c2cc(C#N)ccc2[n+](-c2ccccc2)c1C=CC(C=CC1=[N+](C)c2ccccc2C1(C)C)=CC=C1N(C)c2ccccc2C1(C)C	ZINC000685944215	1070939939	/nfs/dbraw/zinc/93/99/39/1070939939.db2.gz	BMIPXUHOKHQUHW-UHFFFAOYSA-N	2	0	655.890	9.323	50	30		KKEARP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@@H]3CC(C)C)[C@@H](CC(C)C)C[N@H+]1CC2	ZINC000217561946	1071292042	/nfs/dbraw/zinc/29/20/42/1071292042.db2.gz	ROCDXPADLYVOGR-BJNRMGGSSA-N	2	0	630.874	7.149	50	30		KKEARP
C(C#CCCCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12)#CCCCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12	ZINC000008439610	553035915	/nfs/dbraw/zinc/03/59/15/553035915.db2.gz	YDUZAWIBLMIJFQ-UHFFFAOYSA-N	2	0	718.864	9.732	50	30		KKEARP
O=C(C[N+]1(CC[N+]2(CC(=O)c3ccc4ccccc4c3)CCCCC2)CCCCC1)c1ccc2ccccc2c1	ZINC000012360500	553359218	/nfs/dbraw/zinc/35/92/18/553359218.db2.gz	PJECUJHXLAPSLV-UHFFFAOYSA-N	2	0	534.744	7.060	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3cccc(Cl)c3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3cccc(Cl)c3)[NH+]=C(N)N2)cc1C#N	ZINC000150426867	571491165	/nfs/dbraw/zinc/49/11/65/571491165.db2.gz	ZTKQTKYHAZBQQF-CZNDPXEESA-N	2	0	809.769	5.616	50	30		KKEARP
CCOc1ccccc1[C@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@H](c5ccccc5OCC)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426945	571491198	/nfs/dbraw/zinc/49/11/98/571491198.db2.gz	QMVXVSWVTPWNGR-FZNHDDJXSA-N	2	0	828.985	5.107	50	30		KKEARP
CC(C)(C)c1cc(/C=[NH+]/CCCCCC/[NH+]=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	ZINC000014921516	553521469	/nfs/dbraw/zinc/52/14/69/553521469.db2.gz	RLNYFZUZWSGGJK-DNJOOXRZSA-N	2	0	548.856	9.386	50	30		KKEARP
Brc1ccc(/C=[NH+]/CCC23CC4CC(C2)CC(CC/[NH+]=C/c2ccc(Br)cc2)(C4)C3)cc1	ZINC000097984579	554017480	/nfs/dbraw/zinc/01/74/80/554017480.db2.gz	QCKQVWLMQKZYME-QCPYDNSOSA-N	2	0	556.386	8.116	50	30		KKEARP
CC1(C)C=C(c2ccc(/C=C3\CCC/C(=C\c4ccc(C5=CCC(C)(C)[NH2+]C5(C)C)s4)C3=O)s2)CC(C)(C)[NH2+]1	ZINC000100291930	1069731428	/nfs/dbraw/zinc/73/14/28/1069731428.db2.gz	LSMJALFJLMQPRB-DPIBHUQISA-N	2	0	560.873	8.897	50	30		KKEARP
CCCCCCCCCCOC(=O)C[N+]12CC[N+](CC(=O)OCCCCCCCCCC)(CC1)CC2	ZINC000100710424	554453292	/nfs/dbraw/zinc/45/32/92/554453292.db2.gz	AEKIPUILMRMPFK-UHFFFAOYSA-N	2	0	510.804	6.015	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3cccc(Cl)c3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3cccc(Cl)c3)[NH+]=C(N)N2)cc1C#N	ZINC000150426855	571491135	/nfs/dbraw/zinc/49/11/35/571491135.db2.gz	ZTKQTKYHAZBQQF-LQJZCPKCSA-N	2	0	809.769	5.616	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3cccc(Cl)c3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3cccc(Cl)c3)[NH+]=C(N)N2)cc1C#N	ZINC000150426860	571491147	/nfs/dbraw/zinc/49/11/47/571491147.db2.gz	ZTKQTKYHAZBQQF-CZFRINIUSA-N	2	0	809.769	5.616	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)cc3)[NH+]=C(N)N2)cc1C#N	ZINC000150426984	571491334	/nfs/dbraw/zinc/49/13/34/571491334.db2.gz	BVWGGTGCCJYKLU-CZNDPXEESA-N	2	0	809.769	5.616	50	30		KKEARP
CC[NH+](CC)CCOc1cc2c(cc1Br)-c1cc(Br)c(OCC[NH+](CC)CC)cc1C2=NN	ZINC000001881731	551724357	/nfs/dbraw/zinc/72/43/57/551724357.db2.gz	VBYZUBAXQMLTOE-UHFFFAOYSA-N	2	0	582.381	5.344	50	30		KKEARP
c1cc(NC(NC2CCCCC2)=[NH+]C2CCCCC2)ccc1NC(NC1CCCCC1)=[NH+]C1CCCCC1	ZINC000096594182	553756665	/nfs/dbraw/zinc/75/66/65/553756665.db2.gz	HIDGNOUQWZQRDF-UHFFFAOYSA-N	2	0	520.810	7.732	50	30		KKEARP
Cc1cn(CC[NH+]2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCC[NH+]4CCCC4)c3)CC2)c2ccccc12	ZINC000231558920	562881161	/nfs/dbraw/zinc/88/11/61/562881161.db2.gz	PNYRDVBFYVDJJI-UHFFFAOYSA-N	2	0	574.773	5.526	50	30	in-vitro	KKEARP
CCOc1ccc([C@@H]2N=C(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@@H](c6ccc(OCC)cc6)[NH+]=C(N)N5)cc4C#N)c(C#N)c3)NC(N)=[NH+]2)cc1	ZINC000150426836	571491170	/nfs/dbraw/zinc/49/11/70/571491170.db2.gz	QZIVELCTIVYNQV-BCRBLDSWSA-N	2	0	828.985	5.107	50	30		KKEARP
CCOc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@H](c5ccccc5OCC)[NH+]=C(N)N4)cc3C#N)c(C#N)c2)NC(N)=[NH+]1	ZINC000150426940	571491225	/nfs/dbraw/zinc/49/12/25/571491225.db2.gz	QMVXVSWVTPWNGR-JXLNJXQWSA-N	2	0	828.985	5.107	50	30		KKEARP
C=CC[NH2+]Cc1cccn1-c1sc2c(c1C(=O)OCC)CCC(C[NH2+]CC=C)=C2Sc1ccccc1	ZINC000057263041	554353461	/nfs/dbraw/zinc/35/34/61/554353461.db2.gz	LBWPDTVKRQZVCP-UHFFFAOYSA-N	2	0	519.736	6.216	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(Cl)c(Cl)c3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)c(Cl)c3)[NH+]=C(N)N2)cc1C#N	ZINC000150425827	571490090	/nfs/dbraw/zinc/49/00/90/571490090.db2.gz	JAPHFTXDOPPGAH-CZNDPXEESA-N	2	0	878.659	6.923	50	30		KKEARP
CN(C)c1ccc(/C=[NH+]/C2=C(N3CCN(C4=C(/[NH+]=C/c5ccc(N(C)C)cc5)C(=O)CC(C)(C)C4)CC3)CC(C)(C)CC2=O)cc1	ZINC000008431195	553022696	/nfs/dbraw/zinc/02/26/96/553022696.db2.gz	AVTSXQOYQSYOAN-YXTVXKGXSA-N	2	0	622.858	6.176	50	30		KKEARP
C(#Cc1ccc(C#CC[N+]2(Cc3ccccc3)CCCCC2)cc1)C[N+]1(Cc2ccccc2)CCCCC1	ZINC000013757130	553488285	/nfs/dbraw/zinc/48/82/85/553488285.db2.gz	UKHFLLRCUZOZET-UHFFFAOYSA-N	2	0	502.746	6.791	50	30		KKEARP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@@H]3CC(C)C)[C@H](CC(C)C)C[N@H+]1CC2	ZINC000105260875	571392470	/nfs/dbraw/zinc/39/24/70/571392470.db2.gz	ROCDXPADLYVOGR-HUMYSCSZSA-N	2	0	630.874	7.149	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccccc3Cl)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3Cl)[NH+]=C(N)N2)cc1C#N	ZINC000150426279	571490572	/nfs/dbraw/zinc/49/05/72/571490572.db2.gz	AGAUWDLUJMBRTQ-LQJZCPKCSA-N	2	0	809.769	5.616	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccccc3Cl)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3Cl)[NH+]=C(N)N2)cc1C#N	ZINC000150426283	571490635	/nfs/dbraw/zinc/49/06/35/571490635.db2.gz	AGAUWDLUJMBRTQ-CZFRINIUSA-N	2	0	809.769	5.616	50	30		KKEARP
CCOC(=O)c1c2c(sc1N=Cc1ccc(C=Nc3sc4c(c3C(=O)OCC)CC(C)(C)[NH2+]C4(C)C)cc1)C(C)(C)[NH2+]C(C)(C)C2	ZINC000254794073	1072879573	/nfs/dbraw/zinc/87/95/73/1072879573.db2.gz	BKMSMNARIIBDNZ-UHFFFAOYSA-N	2	0	662.922	7.983	50	30		KKEARP
CCOC(=O)C[N+](CC)(CC)CCOc1cc2c(cc1Cl)-c1cc(Cl)c(OCC[N+](CC)(CC)CC(=O)OCC)cc1C2=O	ZINC000008453669	553066704	/nfs/dbraw/zinc/06/67/04/553066704.db2.gz	NONXKMBHHPXEPZ-UHFFFAOYSA-N	2	0	653.644	5.802	50	30		KKEARP
COc1ccc(/[NH+]=C(\c2ccccc2)N2CCN(/C(=[NH+]/c3ccc(OC)cc3)c3ccccc3)CC2)cc1	ZINC000013510638	553467277	/nfs/dbraw/zinc/46/72/77/553467277.db2.gz	TZFPEBOVDAOSKN-FMWAKIAMSA-N	2	0	504.634	6.178	50	30		KKEARP
c1ccc(C[P+](CCC[P+](Cc2ccccc2)(Cc2ccccc2)c2ccccc2)(Cc2ccccc2)c2ccccc2)cc1	ZINC000100696701	554451068	/nfs/dbraw/zinc/45/10/68/554451068.db2.gz	CSVBZISTVFBXBK-UHFFFAOYSA-N	2	0	622.773	10.864	50	30		KKEARP
COc1cc2c(cc1OC)[C@H]1C/C(=N/N=C3/C[C@H]4c5cc(OC)c(OC)cc5CC[NH+]4C[C@H]3CC(C)C)[C@H](CC(C)C)C[N@H+]1CC2	ZINC000111078875	571432011	/nfs/dbraw/zinc/43/20/11/571432011.db2.gz	ROCDXPADLYVOGR-JRULRQNBSA-N	2	0	630.874	7.149	50	30		KKEARP
Cc1cc(-c2cc(C)c(NC(=O)C[N+]3(C)CCCCC3)c(C)c2)cc(C)c1NC(=O)C[N+]1(C)CCCCC1	ZINC000670426387	717187898	/nfs/dbraw/zinc/18/78/98/717187898.db2.gz	QNNUCFVQZNVSNT-UHFFFAOYSA-P	2	0	520.762	5.725	50	30		KKEARP
O=C(C[N+]1(CC[N+]2(CC(=O)c3ccc(Cl)cc3)CCCCC2)CCCCC1)c1ccc(Cl)cc1	ZINC000008816174	553151853	/nfs/dbraw/zinc/15/18/53/553151853.db2.gz	KDQOSGHLTIKRTO-UHFFFAOYSA-N	2	0	503.514	6.060	50	30		KKEARP
CCCCCCCCCCCC(=O)OCC[NH2+]CCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21	ZINC000097973070	553968296	/nfs/dbraw/zinc/96/82/96/553968296.db2.gz	RVZLTNCNKGYAAC-UHFFFAOYSA-N	2	0	528.137	7.516	50	30		KKEARP
Clc1ccccc1C[N+]1(CC#Cc2ccc(C#CC[N+]3(Cc4ccccc4Cl)CCCCC3)cc2)CCCCC1	ZINC000102924473	555148616	/nfs/dbraw/zinc/14/86/16/555148616.db2.gz	LFGRERQHKAUPRK-UHFFFAOYSA-N	2	0	571.636	8.098	50	30		KKEARP
CC(C)n1ncc(C2(c3cnn(C(C)C)c3NC(=[NH+]c3ccccc3)N(C)C)C(=O)Nc3ccccc32)c1NC(=[NH+]c1ccccc1)N(C)C	ZINC000150414019	571484990	/nfs/dbraw/zinc/48/49/90/571484990.db2.gz	PNUQFJAFXFIGDF-UHFFFAOYSA-N	2	0	671.854	6.850	50	30		KKEARP
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(Cl)c(Cl)c3)[NH+]=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(Cl)c(Cl)c3)[NH+]=C(N)N2)cc1C#N	ZINC000150425825	571490069	/nfs/dbraw/zinc/49/00/69/571490069.db2.gz	JAPHFTXDOPPGAH-CZFRINIUSA-N	2	0	878.659	6.923	50	30		KKEARP
CCOc1ccc([C@@H]2N=C(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@H](c6ccc(OCC)cc6)[NH+]=C(N)N5)cc4C#N)c(C#N)c3)NC(N)=[NH+]2)cc1	ZINC000150426840	571491116	/nfs/dbraw/zinc/49/11/16/571491116.db2.gz	QZIVELCTIVYNQV-JXLNJXQWSA-N	2	0	828.985	5.107	50	30		KKEARP