smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(O)c([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccc(Br)o2)c1	ZINC000000668644	551518123	/nfs/dbraw/zinc/51/81/23/551518123.db2.gz	GVQNKKJSNKXPRG-SFHVURJKSA-N	0	2	537.164	4.430	50	10		KICALN
COc1ccc(O)c([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccc(Br)o2)c1	ZINC000000668646	551518151	/nfs/dbraw/zinc/51/81/51/551518151.db2.gz	GVQNKKJSNKXPRG-GOSISDBHSA-N	0	2	537.164	4.430	50	10		KICALN
CCOc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O	ZINC000000669333	551518535	/nfs/dbraw/zinc/51/85/35/551518535.db2.gz	DKBNRQQMONMAKD-WUXMJOGZSA-N	0	2	516.573	4.431	50	10		KICALN
CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O	ZINC000000669337	551518594	/nfs/dbraw/zinc/51/85/94/551518594.db2.gz	KQUVPCYWWBSJFT-KPKJPENVSA-N	0	2	516.573	4.431	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1	ZINC000000671114	551519154	/nfs/dbraw/zinc/51/91/54/551519154.db2.gz	YXMYUMJLCLUPHZ-XKZIYDEJSA-N	0	2	533.968	4.100	50	10		KICALN
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1C	ZINC000000714676	551534114	/nfs/dbraw/zinc/53/41/14/551534114.db2.gz	JJNHDTZGKXLFPN-AWNIVKPZSA-N	0	2	510.207	4.365	50	10		KICALN
O=C1N[C@H](c2cc(Br)cc(Br)c2O)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	ZINC000000715273	551534237	/nfs/dbraw/zinc/53/42/37/551534237.db2.gz	ROUBDRPGGXHHPB-PBFPGSCMSA-N	0	2	538.114	4.021	50	10		KICALN
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O	ZINC000000852853	551549790	/nfs/dbraw/zinc/54/97/90/551549790.db2.gz	BZZQXEUJXNAGBS-LFYBBSHMSA-N	0	2	563.598	4.244	50	10		KICALN
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O	ZINC000000910348	551570552	/nfs/dbraw/zinc/57/05/52/551570552.db2.gz	ZOKKOVKAINSRMZ-WUXMJOGZSA-N	0	2	516.971	4.141	50	10		KICALN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)c1	ZINC000000977326	551591389	/nfs/dbraw/zinc/59/13/89/551591389.db2.gz	DCNDBXFJHSOILO-RIYZIHGNSA-N	0	2	552.321	4.310	50	10		KICALN
O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cl	ZINC000000996474	551594867	/nfs/dbraw/zinc/59/48/67/551594867.db2.gz	VELYBJMVDULBAO-NDENLUEZSA-N	0	2	535.343	4.368	50	10		KICALN
O=C1N[C@H](c2cc(Br)cc(Br)c2O)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1	ZINC000001009634	551596492	/nfs/dbraw/zinc/59/64/92/551596492.db2.gz	ROUBDRPGGXHHPB-XNJGSVPQSA-N	0	2	538.114	4.021	50	10		KICALN
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(I)c3O)C(=O)NC2=S)cc1C	ZINC000001092771	551607228	/nfs/dbraw/zinc/60/72/28/551607228.db2.gz	MLADWLCXBCSSBJ-VGOFMYFVSA-N	0	2	557.207	4.207	50	10		KICALN
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	ZINC000001170585	551620134	/nfs/dbraw/zinc/62/01/34/551620134.db2.gz	GWJZEGRJIVYBJU-VCHYOVAHSA-N	0	2	509.272	4.211	50	10		KICALN
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1	ZINC000001185373	551621070	/nfs/dbraw/zinc/62/10/70/551621070.db2.gz	XGBBBFMBNYGWAW-KGENOOAVSA-N	0	2	535.350	4.481	50	10		KICALN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000001204511	551624229	/nfs/dbraw/zinc/62/42/29/551624229.db2.gz	PDZGMSGWKKUDPJ-BOPFTXTBSA-N	0	2	512.272	4.292	50	10		KICALN
COC(=O)COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC	ZINC000001214291	551626071	/nfs/dbraw/zinc/62/60/71/551626071.db2.gz	PLQLSPFIDYLNIR-LZYBPNLTSA-N	0	2	517.332	4.133	50	10		KICALN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2)nc(C)n1	ZINC000001770352	551696095	/nfs/dbraw/zinc/69/60/95/551696095.db2.gz	BYEFPUXSXQNOAP-UHFFFAOYSA-N	0	2	514.563	4.212	50	10		KICALN
O=C1Sc2c3c1cccc3c(S(=O)(=O)Nc1ccc(O)cc1)cc2S(=O)(=O)Nc1ccc(O)cc1	ZINC000001795682	551702646	/nfs/dbraw/zinc/70/26/46/551702646.db2.gz	CLBCQYRZNKJNMZ-UHFFFAOYSA-N	0	2	528.589	4.099	50	10		KICALN
O=c1[nH]c2ccccc2nc1-c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000002024007	551736449	/nfs/dbraw/zinc/73/64/49/551736449.db2.gz	WVUXENJZVVFLOR-UHFFFAOYSA-N	0	2	514.386	4.158	50	10		KICALN
O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl	ZINC000002071138	551747101	/nfs/dbraw/zinc/74/71/01/551747101.db2.gz	ZOUNHZKYWFQBES-NDENLUEZSA-N	0	2	535.343	4.368	50	10		KICALN
CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC	ZINC000002086134	551756023	/nfs/dbraw/zinc/75/60/23/551756023.db2.gz	RMHLKOKKEOHJFB-BOPFTXTBSA-N	0	2	503.349	4.312	50	10		KICALN
CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1	ZINC000002126864	551772021	/nfs/dbraw/zinc/77/20/21/551772021.db2.gz	PTVQPHPDSPDXHB-QNGOZBTKSA-N	0	2	520.592	4.228	50	10		KICALN
COc1cc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc(OC)c1OC	ZINC000002276280	552086600	/nfs/dbraw/zinc/08/66/00/552086600.db2.gz	OLPTYBMXKOCIAR-LPYMAVHISA-N	0	2	511.534	4.382	50	10		KICALN
O=c1oc2ccc(Br)cc2cc1-c1csc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1	ZINC000002616194	552136809	/nfs/dbraw/zinc/13/68/09/552136809.db2.gz	IVKHJYLFJVJXGF-UHFFFAOYSA-N	0	2	521.370	4.251	50	10		KICALN
CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1	ZINC000002740737	552171725	/nfs/dbraw/zinc/17/17/25/552171725.db2.gz	ZSZNEHBDSBAXJL-JCMHNJIXSA-N	0	2	540.985	4.118	50	10		KICALN
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1	ZINC000002821424	552197205	/nfs/dbraw/zinc/19/72/05/552197205.db2.gz	RSBLWYIQASPWRE-LPYMAVHISA-N	0	2	500.467	4.427	50	10		KICALN
COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC	ZINC000002921349	552220784	/nfs/dbraw/zinc/22/07/84/552220784.db2.gz	XBNSOXTZDNXBOO-DEOSSOPVSA-N	0	2	549.536	4.411	50	10		KICALN
COc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC	ZINC000002921352	552220738	/nfs/dbraw/zinc/22/07/38/552220738.db2.gz	XBNSOXTZDNXBOO-XMMPIXPASA-N	0	2	549.536	4.411	50	10		KICALN
COc1ccccc1OCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000002937134	552227485	/nfs/dbraw/zinc/22/74/85/552227485.db2.gz	LXBBCWVJBHUIQF-CAPFRKAQSA-N	0	2	502.523	4.136	50	10		KICALN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(Br)cc1OC	ZINC000002958867	552232962	/nfs/dbraw/zinc/23/29/62/552232962.db2.gz	HKAUDDKSLNXYNG-WUXMJOGZSA-N	0	2	539.766	4.193	50	10		KICALN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OC	ZINC000002961042	552233825	/nfs/dbraw/zinc/23/38/25/552233825.db2.gz	BPCIXNCQWCUHJO-WUXMJOGZSA-N	0	2	586.766	4.036	50	10		KICALN
CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC	ZINC000002970135	552243290	/nfs/dbraw/zinc/24/32/90/552243290.db2.gz	XUUGSURDDRZWJO-XYOKQWHBSA-N	0	2	526.714	4.018	50	10		KICALN
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	ZINC000003265416	552328355	/nfs/dbraw/zinc/32/83/55/552328355.db2.gz	ZIHFHVCLANQDPR-UHFFFAOYSA-N	0	2	510.977	4.020	50	10		KICALN
O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1cc(Cl)ccc1Cl	ZINC000003272913	552332596	/nfs/dbraw/zinc/33/25/96/552332596.db2.gz	CORSDGSRFDAWIN-UHFFFAOYSA-N	0	2	501.369	4.357	50	10		KICALN
CCOC(=O)c1c(NC(=O)COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)sc2c1CCCC2	ZINC000003297104	552343597	/nfs/dbraw/zinc/34/35/97/552343597.db2.gz	PSXUEZWXGVIOAE-UHFFFAOYSA-N	0	2	564.663	4.167	50	10		KICALN
CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3nsnc32)c(C(=O)OCC)c1C	ZINC000003669148	552410464	/nfs/dbraw/zinc/41/04/64/552410464.db2.gz	MFGCUOIKWMPURQ-UHFFFAOYSA-N	0	2	574.662	4.468	50	10		KICALN
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000004417458	552459772	/nfs/dbraw/zinc/45/97/72/552459772.db2.gz	YEJDQJWZPSNLOU-JXAWBTAJSA-N	0	2	530.678	4.174	50	10		KICALN
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccc(S(=O)(=O)Nc3ccccc3OC)cc1C2=O	ZINC000004517642	552462344	/nfs/dbraw/zinc/46/23/44/552462344.db2.gz	KHPBLJAUSIVMLR-UHFFFAOYSA-N	0	2	578.624	4.081	50	10		KICALN
CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O	ZINC000004647348	552470691	/nfs/dbraw/zinc/47/06/91/552470691.db2.gz	BZVZRYWYQOOOPB-FQEVSTJZSA-N	0	2	536.484	4.079	50	10		KICALN
CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O	ZINC000004647348	552470690	/nfs/dbraw/zinc/47/06/90/552470690.db2.gz	BZVZRYWYQOOOPB-FQEVSTJZSA-N	0	2	536.484	4.079	50	10		KICALN
CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O	ZINC000004647350	552470803	/nfs/dbraw/zinc/47/08/03/552470803.db2.gz	BZVZRYWYQOOOPB-HXUWFJFHSA-N	0	2	536.484	4.079	50	10		KICALN
CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O	ZINC000004647350	552470801	/nfs/dbraw/zinc/47/08/01/552470801.db2.gz	BZVZRYWYQOOOPB-HXUWFJFHSA-N	0	2	536.484	4.079	50	10		KICALN
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)cc2)s1	ZINC000005940865	552513779	/nfs/dbraw/zinc/51/37/79/552513779.db2.gz	SZDILFPMAGGGBT-ATVHPVEESA-N	0	2	533.035	4.282	50	10		KICALN
Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1C	ZINC000006038860	552520852	/nfs/dbraw/zinc/52/08/52/552520852.db2.gz	MILUXFDUQBIKFC-KGENOOAVSA-N	0	2	520.592	4.282	50	10		KICALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CCOc4ccccc4OC)c4ccccc34)C2=O)cc1	ZINC000006405215	552582227	/nfs/dbraw/zinc/58/22/27/552582227.db2.gz	GIXDYHUPLMATHW-QJOMJCCJSA-N	0	2	511.534	4.404	50	10		KICALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1	ZINC000006508281	552596668	/nfs/dbraw/zinc/59/66/68/552596668.db2.gz	SOKBVRHHLBMCNN-BOPFTXTBSA-N	0	2	503.349	4.312	50	10		KICALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1	ZINC000006508338	552596911	/nfs/dbraw/zinc/59/69/11/552596911.db2.gz	ZRMAJQOGBZLSOC-HMAPJEAMSA-N	0	2	517.494	4.248	50	10		KICALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C2=O)cc1	ZINC000006645201	552972366	/nfs/dbraw/zinc/97/23/66/552972366.db2.gz	KXACPVRKLNSYIH-STZFKDTASA-N	0	2	522.941	4.481	50	10		KICALN
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O	ZINC000006905763	552977667	/nfs/dbraw/zinc/97/76/67/552977667.db2.gz	HOVRFJDTZZESFP-NTUHNPAUSA-N	0	2	580.547	4.019	50	10		KICALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000008430056	553020792	/nfs/dbraw/zinc/02/07/92/553020792.db2.gz	BQFGMSOEVZXLQY-MOSHPQCFSA-N	0	2	531.377	4.373	50	10		KICALN
O=C1N[C@@H](c2cc(Br)cc(Br)c2O)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	ZINC000008432910	553027559	/nfs/dbraw/zinc/02/75/59/553027559.db2.gz	ROUBDRPGGXHHPB-GDZNZVCISA-N	0	2	538.114	4.021	50	10		KICALN
O=C1N[C@@H](c2cc(Br)cc(Br)c2O)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	ZINC000008432911	553027487	/nfs/dbraw/zinc/02/74/87/553027487.db2.gz	ROUBDRPGGXHHPB-IIYDPXPESA-N	0	2	538.114	4.021	50	10		KICALN
O=C1N[C@H](c2cc(Br)cc(Br)c2O)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	ZINC000008432912	553027449	/nfs/dbraw/zinc/02/74/49/553027449.db2.gz	ROUBDRPGGXHHPB-OGHNNQOOSA-N	0	2	538.114	4.021	50	10		KICALN
COc1c(I)cc(I)cc1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O	ZINC000008435019	553029573	/nfs/dbraw/zinc/02/95/73/553029573.db2.gz	RFXNIXZQKLUECD-QPEQYQDCSA-N	0	2	624.998	4.128	50	10		KICALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1	ZINC000008435406	553030273	/nfs/dbraw/zinc/03/02/73/553030273.db2.gz	IVXUKXVOMKSHNJ-BKUYFWCQSA-N	0	2	514.925	4.023	50	10		KICALN
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)cc(I)c1O	ZINC000008441002	553039226	/nfs/dbraw/zinc/03/92/26/553039226.db2.gz	MDLOSUCVSDWXSU-XGICHPGQSA-N	0	2	608.049	4.353	50	10		KICALN
Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1C	ZINC000008442295	553043182	/nfs/dbraw/zinc/04/31/82/553043182.db2.gz	MILUXFDUQBIKFC-STZFKDTASA-N	0	2	520.592	4.282	50	10		KICALN
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O	ZINC000008456279	553074466	/nfs/dbraw/zinc/07/44/66/553074466.db2.gz	SVWIHVJGQHWUJQ-AWNIVKPZSA-N	0	2	580.547	4.019	50	10		KICALN
O=S(=O)(CCSc1ccccc1NS(=O)(=O)c1cccc2nonc21)c1ccc(Cl)cc1	ZINC000008626552	553103793	/nfs/dbraw/zinc/10/37/93/553103793.db2.gz	JLDTUVQOGZBBAU-UHFFFAOYSA-N	0	2	510.018	4.243	50	10		KICALN
COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	ZINC000008749358	553134929	/nfs/dbraw/zinc/13/49/29/553134929.db2.gz	XDASJSMVJZKHEE-ZMOGYAJESA-N	0	2	514.578	4.373	50	10		KICALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C2=O)cc1	ZINC000008842994	553165212	/nfs/dbraw/zinc/16/52/12/553165212.db2.gz	WRRRMQRZFSUVII-KQWNVCNZSA-N	0	2	502.523	4.136	50	10		KICALN
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)o1	ZINC000008913987	553185622	/nfs/dbraw/zinc/18/56/22/553185622.db2.gz	YXJWOBSKUYZHLV-ZVHZXABRSA-N	0	2	501.583	4.455	50	10		KICALN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000009044033	553203131	/nfs/dbraw/zinc/20/31/31/553203131.db2.gz	RKBZTDKKFSWXKU-ZHZULCJRSA-N	0	2	511.490	4.007	50	10		KICALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	ZINC000009109926	553210053	/nfs/dbraw/zinc/21/00/53/553210053.db2.gz	GEQIABABJRUIKF-PCLIKHOPSA-N	0	2	513.550	4.461	50	10		KICALN
CCN(CCc1c(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)[nH]c2ccccc21)C(C)=O	ZINC000009129206	553213203	/nfs/dbraw/zinc/21/32/03/553213203.db2.gz	WAQKRZZHZDOTCS-XSFVSMFZSA-N	0	2	512.488	4.264	50	10		KICALN
COc1cc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc(OC)c1OC	ZINC000009183466	553216837	/nfs/dbraw/zinc/21/68/37/553216837.db2.gz	OLPTYBMXKOCIAR-XKZIYDEJSA-N	0	2	511.534	4.382	50	10		KICALN
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1	ZINC000009260027	553227976	/nfs/dbraw/zinc/22/79/76/553227976.db2.gz	UTOGWEIWBLGMMI-LPYMAVHISA-N	0	2	500.461	4.225	50	10		KICALN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000009262723	553228627	/nfs/dbraw/zinc/22/86/27/553228627.db2.gz	CWPSAIKMNULEBM-GZTJUZNOSA-N	0	2	512.272	4.292	50	10		KICALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)cc1	ZINC000009310056	553238762	/nfs/dbraw/zinc/23/87/62/553238762.db2.gz	ZHTCVYZWRRGBKU-JLPGSUDCSA-N	0	2	508.534	4.345	50	10		KICALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000009310911	553239259	/nfs/dbraw/zinc/23/92/59/553239259.db2.gz	ORYUHRXTMYITLH-LPYMAVHISA-N	0	2	501.495	4.466	50	10		KICALN
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	ZINC000009311157	553239278	/nfs/dbraw/zinc/23/92/78/553239278.db2.gz	YXJWOBSKUYZHLV-OYKKKHCWSA-N	0	2	501.583	4.250	50	10		KICALN
COc1cccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2OC)c1	ZINC000009434905	553264080	/nfs/dbraw/zinc/26/40/80/553264080.db2.gz	KZOMLHZHTGZBPW-HMAPJEAMSA-N	0	2	522.941	4.481	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1	ZINC000009635659	553291851	/nfs/dbraw/zinc/29/18/51/553291851.db2.gz	YOYAFQUCLFMODF-QJOMJCCJSA-N	0	2	502.523	4.218	50	10		KICALN
CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	ZINC000011852728	553345540	/nfs/dbraw/zinc/34/55/40/553345540.db2.gz	UBZPUBBGHFLNBA-MRXNPFEDSA-N	0	2	524.311	4.122	50	10		KICALN
CC(C)OC(=O)[C@@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	ZINC000011852728	553345538	/nfs/dbraw/zinc/34/55/38/553345538.db2.gz	UBZPUBBGHFLNBA-MRXNPFEDSA-N	0	2	524.311	4.122	50	10		KICALN
CC(C)OC(=O)C(C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	ZINC000011852729	553345570	/nfs/dbraw/zinc/34/55/70/553345570.db2.gz	UBZPUBBGHFLNBA-INIZCTEOSA-N	0	2	524.311	4.122	50	10		KICALN
CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O	ZINC000011852729	553345568	/nfs/dbraw/zinc/34/55/68/553345568.db2.gz	UBZPUBBGHFLNBA-INIZCTEOSA-N	0	2	524.311	4.122	50	10		KICALN
O=C(Nc1cccc2nsnc21)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000012375027	553361072	/nfs/dbraw/zinc/36/10/72/553361072.db2.gz	CURJLGVKTPEVQV-UHFFFAOYSA-N	0	2	502.990	4.403	50	10		KICALN
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)cc2)s1	ZINC000013124280	553449539	/nfs/dbraw/zinc/44/95/39/553449539.db2.gz	SDVFVRHYJNADMV-LDADJPATSA-N	0	2	503.009	4.273	50	10		KICALN
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)cc2)s1	ZINC000013130529	553451328	/nfs/dbraw/zinc/45/13/28/553451328.db2.gz	OVMLUVFNPOQLMZ-LDADJPATSA-N	0	2	503.009	4.273	50	10		KICALN
CCCCN1CCc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)ccc21	ZINC000013510851	553467543	/nfs/dbraw/zinc/46/75/43/553467543.db2.gz	URMCCLQEOBOGHP-XMHGGMMESA-N	0	2	515.351	4.120	50	10		KICALN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	ZINC000013571049	553473905	/nfs/dbraw/zinc/47/39/05/553473905.db2.gz	NFYWHEDSBOIGHM-WOJGMQOQSA-N	0	2	509.272	4.211	50	10		KICALN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000013748345	553487518	/nfs/dbraw/zinc/48/75/18/553487518.db2.gz	SEKXHFOHRWWZLY-NJDAHSKKSA-N	0	2	510.300	4.114	50	10		KICALN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1	ZINC000013748347	553487498	/nfs/dbraw/zinc/48/74/98/553487498.db2.gz	SEKXHFOHRWWZLY-QHAWAJNXSA-N	0	2	510.300	4.114	50	10		KICALN
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	ZINC000013775040	553489810	/nfs/dbraw/zinc/48/98/10/553489810.db2.gz	GEQIABABJRUIKF-XYGWBWBKSA-N	0	2	513.550	4.461	50	10		KICALN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000013775560	553489990	/nfs/dbraw/zinc/48/99/90/553489990.db2.gz	DLKJRZKNJOOEBG-IWIPYMOSSA-N	0	2	523.545	4.486	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1O	ZINC000016161651	553555717	/nfs/dbraw/zinc/55/57/17/553555717.db2.gz	ZRCOGZDXPHRBTI-ZROIWOOFSA-N	0	2	510.182	4.340	50	10		KICALN
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1	ZINC000016225982	553557009	/nfs/dbraw/zinc/55/70/09/553557009.db2.gz	PJMQMLDZMNJDEA-HYARGMPZSA-N	0	2	500.467	4.427	50	10		KICALN
Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000016226003	553557004	/nfs/dbraw/zinc/55/70/04/553557004.db2.gz	MZQFDZLHWZNDRX-KGENOOAVSA-N	0	2	500.467	4.427	50	10		KICALN
COc1ccc(C=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000017014444	553586546	/nfs/dbraw/zinc/58/65/46/553586546.db2.gz	NHJRWMDLLWCHDF-UCQKPKSFSA-N	0	2	523.545	4.287	50	10		KICALN
CCOC(=O)N(C)CCc1cc2c(c(OC)c1C=C1C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2	ZINC000017195646	553590239	/nfs/dbraw/zinc/59/02/39/553590239.db2.gz	AWSFOPDADFZTAQ-DEDYPNTBSA-N	0	2	523.542	4.178	50	10		KICALN
CCOC(=O)c1oc2c(cc(CC)c([O-])c2CN2CC[NH+](C)CC2)c(=O)c1-c1nc2ccccc2s1	ZINC000020057838	553671439	/nfs/dbraw/zinc/67/14/39/553671439.db2.gz	DHBTXDFKTCGMAA-UHFFFAOYSA-N	0	2	507.612	4.262	50	10		KICALN
CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[NH+]2CCN(C)CC2)c(=O)c1-c1nc2ccccc2s1	ZINC000020057838	553671438	/nfs/dbraw/zinc/67/14/38/553671438.db2.gz	DHBTXDFKTCGMAA-UHFFFAOYSA-N	0	2	507.612	4.262	50	10		KICALN
CCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCN(C)CC4)c3oc2C(F)(F)F)cc1	ZINC000020392181	553645408	/nfs/dbraw/zinc/64/54/08/553645408.db2.gz	NLQXZNUSCUTBCM-UHFFFAOYSA-N	0	2	506.477	4.234	50	10		KICALN
CCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])c(CN4CC[NH+](C)CC4)c3oc2C(F)(F)F)cc1	ZINC000020392181	553645406	/nfs/dbraw/zinc/64/54/06/553645406.db2.gz	NLQXZNUSCUTBCM-UHFFFAOYSA-N	0	2	506.477	4.234	50	10		KICALN
COc1ccccc1OCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000022146079	553727106	/nfs/dbraw/zinc/72/71/06/553727106.db2.gz	LXBBCWVJBHUIQF-SILNSSARSA-N	0	2	502.523	4.136	50	10		KICALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NC[C@@H]4CCCO4)c4ccccc34)C2=O)c1C	ZINC000027549095	553833612	/nfs/dbraw/zinc/83/36/12/553833612.db2.gz	AWCACUCUBZQGLB-BOURKTIISA-N	0	2	500.555	4.060	50	10		KICALN
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NC[C@H]4CCCO4)c4ccccc34)C2=O)c1C	ZINC000027549098	553833578	/nfs/dbraw/zinc/83/35/78/553833578.db2.gz	AWCACUCUBZQGLB-CCULFSDZSA-N	0	2	500.555	4.060	50	10		KICALN
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1	ZINC000028117708	553837729	/nfs/dbraw/zinc/83/77/29/553837729.db2.gz	YOYKMQBOLMEHSU-RGEXLXHISA-N	0	2	544.705	4.482	50	10		KICALN
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1	ZINC000033455799	553960807	/nfs/dbraw/zinc/96/08/07/553960807.db2.gz	PJMQMLDZMNJDEA-HMAPJEAMSA-N	0	2	500.467	4.427	50	10		KICALN
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036083047	554175028	/nfs/dbraw/zinc/17/50/28/554175028.db2.gz	QAKHQEFGXNJFIB-CXUHLZMHSA-N	0	2	508.375	4.293	50	10		KICALN
COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2=O)cc1	ZINC000041585065	554296539	/nfs/dbraw/zinc/29/65/39/554296539.db2.gz	URLHMNKQUXVUKM-UHFFFAOYSA-N	0	2	500.551	4.221	50	10		KICALN
COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2	ZINC000070671990	553601395	/nfs/dbraw/zinc/60/13/95/553601395.db2.gz	OQKQYKQKHAJTHR-JCMHNJIXSA-N	0	2	561.978	4.058	50	10	biogenic	KICALN
COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C1=O)OCO2	ZINC000070672107	553601723	/nfs/dbraw/zinc/60/17/23/553601723.db2.gz	MLRJRMGAKHVCDL-JLPGSUDCSA-N	0	2	569.614	4.330	50	10	biogenic	KICALN
COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2	ZINC000070672204	553601895	/nfs/dbraw/zinc/60/18/95/553601895.db2.gz	RMVYECNSHIISHT-JCMHNJIXSA-N	0	2	606.429	4.168	50	10	biogenic	KICALN
COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096114040	553724751	/nfs/dbraw/zinc/72/47/51/553724751.db2.gz	QVAIQTXCQZTXTG-QGZVFWFLSA-N	0	2	522.506	4.470	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096114041	553724729	/nfs/dbraw/zinc/72/47/29/553724729.db2.gz	QVAIQTXCQZTXTG-KRWDZBQOSA-N	0	2	522.506	4.470	50	10	biogenic	KICALN
COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC	ZINC000096114399	553725014	/nfs/dbraw/zinc/72/50/14/553725014.db2.gz	WDQVONXNYRWPGM-AWEZNQCLSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC	ZINC000096114400	553724997	/nfs/dbraw/zinc/72/49/97/553724997.db2.gz	WDQVONXNYRWPGM-CQSZACIVSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096114555	553724914	/nfs/dbraw/zinc/72/49/14/553724914.db2.gz	LICMPEMHTKCXTF-MRXNPFEDSA-N	0	2	518.474	4.111	50	10	biogenic	KICALN
COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096114556	553724987	/nfs/dbraw/zinc/72/49/87/553724987.db2.gz	LICMPEMHTKCXTF-INIZCTEOSA-N	0	2	518.474	4.111	50	10	biogenic	KICALN
COc1cc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc(OC)c1OC(C)=O	ZINC000096114652	553725311	/nfs/dbraw/zinc/72/53/11/553725311.db2.gz	JGMRDGJDRDLWCL-INIZCTEOSA-N	0	2	518.474	4.255	50	10	biogenic	KICALN
COc1cc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc(OC)c1OC(C)=O	ZINC000096114653	553725404	/nfs/dbraw/zinc/72/54/04/553725404.db2.gz	JGMRDGJDRDLWCL-MRXNPFEDSA-N	0	2	518.474	4.255	50	10	biogenic	KICALN
COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC	ZINC000096115098	553725701	/nfs/dbraw/zinc/72/57/01/553725701.db2.gz	FHDNUTSUWGSOGF-AWEZNQCLSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1cc(OC)c([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC	ZINC000096115099	553725788	/nfs/dbraw/zinc/72/57/88/553725788.db2.gz	FHDNUTSUWGSOGF-CQSZACIVSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC	ZINC000096115164	553725662	/nfs/dbraw/zinc/72/56/62/553725662.db2.gz	BUOFDUVLHVPTGD-AWEZNQCLSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC	ZINC000096115164	553725661	/nfs/dbraw/zinc/72/56/61/553725661.db2.gz	BUOFDUVLHVPTGD-AWEZNQCLSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC	ZINC000096115165	553725655	/nfs/dbraw/zinc/72/56/55/553725655.db2.gz	BUOFDUVLHVPTGD-CQSZACIVSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC	ZINC000096115165	553725654	/nfs/dbraw/zinc/72/56/54/553725654.db2.gz	BUOFDUVLHVPTGD-CQSZACIVSA-N	0	2	506.463	4.044	50	10	biogenic	KICALN
COc1ccc2occ([C@@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	ZINC000096116053	553726609	/nfs/dbraw/zinc/72/66/09/553726609.db2.gz	YPRRJTZRQUHFRY-AWEZNQCLSA-N	0	2	514.442	4.133	50	10	biogenic	KICALN
COc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	ZINC000096116054	553726569	/nfs/dbraw/zinc/72/65/69/553726569.db2.gz	YPRRJTZRQUHFRY-CQSZACIVSA-N	0	2	514.442	4.133	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cccc2cccnc21)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096116157	553726737	/nfs/dbraw/zinc/72/67/37/553726737.db2.gz	CWYXUSHRWPIGDL-INIZCTEOSA-N	0	2	515.474	4.231	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cccc2cccnc21)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096116158	553726896	/nfs/dbraw/zinc/72/68/96/553726896.db2.gz	CWYXUSHRWPIGDL-MRXNPFEDSA-N	0	2	515.474	4.231	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096220845	553730232	/nfs/dbraw/zinc/73/02/32/553730232.db2.gz	WLUIPSIQPSRYFY-MRXNPFEDSA-N	0	2	520.490	4.052	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096220847	553730241	/nfs/dbraw/zinc/73/02/41/553730241.db2.gz	WLUIPSIQPSRYFY-INIZCTEOSA-N	0	2	520.490	4.052	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@H](c1ccccc1Br)CC(=O)O2	ZINC000096221058	553730152	/nfs/dbraw/zinc/73/01/52/553730152.db2.gz	OZTYHYCCVVRPNN-LBPRGKRZSA-N	0	2	511.280	4.486	50	10	biogenic	KICALN
O=C1C[C@@H](c2ccccc2Br)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096221058	553730151	/nfs/dbraw/zinc/73/01/51/553730151.db2.gz	OZTYHYCCVVRPNN-LBPRGKRZSA-N	0	2	511.280	4.486	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@@H](c1ccccc1Br)CC(=O)O2	ZINC000096221059	553730299	/nfs/dbraw/zinc/73/02/99/553730299.db2.gz	OZTYHYCCVVRPNN-GFCCVEGCSA-N	0	2	511.280	4.486	50	10	biogenic	KICALN
O=C1C[C@H](c2ccccc2Br)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096221059	553730297	/nfs/dbraw/zinc/73/02/97/553730297.db2.gz	OZTYHYCCVVRPNN-GFCCVEGCSA-N	0	2	511.280	4.486	50	10	biogenic	KICALN
CCOc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(O)c(-c5ccc(O)c(O)c5)oc-4c32)ccc1OC	ZINC000096221249	553730143	/nfs/dbraw/zinc/73/01/43/553730143.db2.gz	BQDKHCWSLSLVJH-AWEZNQCLSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
CCOc1cc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1OC	ZINC000096221249	553730142	/nfs/dbraw/zinc/73/01/42/553730142.db2.gz	BQDKHCWSLSLVJH-AWEZNQCLSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
CCOc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(O)c(-c5ccc(O)c(O)c5)oc-4c32)ccc1OC	ZINC000096221251	553730210	/nfs/dbraw/zinc/73/02/10/553730210.db2.gz	BQDKHCWSLSLVJH-CQSZACIVSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
CCOc1cc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1OC	ZINC000096221251	553730208	/nfs/dbraw/zinc/73/02/08/553730208.db2.gz	BQDKHCWSLSLVJH-CQSZACIVSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221400	553730653	/nfs/dbraw/zinc/73/06/53/553730653.db2.gz	XVBHJHSLASYAHQ-MRXNPFEDSA-N	0	2	522.506	4.298	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221401	553730707	/nfs/dbraw/zinc/73/07/07/553730707.db2.gz	XVBHJHSLASYAHQ-INIZCTEOSA-N	0	2	522.506	4.298	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221615	553730606	/nfs/dbraw/zinc/73/06/06/553730606.db2.gz	FJUUYOHQHMARPT-OAHLLOKOSA-N	0	2	506.463	4.009	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221616	553730742	/nfs/dbraw/zinc/73/07/42/553730742.db2.gz	FJUUYOHQHMARPT-HNNXBMFYSA-N	0	2	506.463	4.009	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221655	553730669	/nfs/dbraw/zinc/73/06/69/553730669.db2.gz	XJXIEABGQBHTMS-MRXNPFEDSA-N	0	2	522.506	4.298	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221656	553730512	/nfs/dbraw/zinc/73/05/12/553730512.db2.gz	XJXIEABGQBHTMS-INIZCTEOSA-N	0	2	522.506	4.298	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221850	553730888	/nfs/dbraw/zinc/73/08/88/553730888.db2.gz	WYFIZZSODLYELW-INIZCTEOSA-N	0	2	500.459	4.378	50	10	biogenic	KICALN
COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221851	553730968	/nfs/dbraw/zinc/73/09/68/553730968.db2.gz	WYFIZZSODLYELW-MRXNPFEDSA-N	0	2	500.459	4.378	50	10	biogenic	KICALN
Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)c2c1	ZINC000096221856	553730952	/nfs/dbraw/zinc/73/09/52/553730952.db2.gz	ZNKNNZWUSIVXIK-ZDUSSCGKSA-N	0	2	514.442	4.138	50	10	biogenic	KICALN
Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	ZINC000096221856	553730950	/nfs/dbraw/zinc/73/09/50/553730950.db2.gz	ZNKNNZWUSIVXIK-ZDUSSCGKSA-N	0	2	514.442	4.138	50	10	biogenic	KICALN
Cc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)c2c1	ZINC000096221857	553730941	/nfs/dbraw/zinc/73/09/41/553730941.db2.gz	ZNKNNZWUSIVXIK-CYBMUJFWSA-N	0	2	514.442	4.138	50	10	biogenic	KICALN
Cc1ccc2occ([C@H]3CC(=O)Oc4cc(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1	ZINC000096221857	553730938	/nfs/dbraw/zinc/73/09/38/553730938.db2.gz	ZNKNNZWUSIVXIK-CYBMUJFWSA-N	0	2	514.442	4.138	50	10	biogenic	KICALN
O=C1C[C@@H](c2cc3c(c(Cl)c2)OCO3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096222163	553731008	/nfs/dbraw/zinc/73/10/08/553731008.db2.gz	WNWNCYFHHCFZIW-NSHDSACASA-N	0	2	510.838	4.106	50	10	biogenic	KICALN
O=C1C[C@H](c2cc3c(c(Cl)c2)OCO3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096222165	553731019	/nfs/dbraw/zinc/73/10/19/553731019.db2.gz	WNWNCYFHHCFZIW-LLVKDONJSA-N	0	2	510.838	4.106	50	10	biogenic	KICALN
CCOc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000096222619	553731270	/nfs/dbraw/zinc/73/12/70/553731270.db2.gz	NVTDXTQTGOWOPS-AWEZNQCLSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
CCOc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21	ZINC000096222619	553731269	/nfs/dbraw/zinc/73/12/69/553731269.db2.gz	NVTDXTQTGOWOPS-AWEZNQCLSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
CCOc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000096222620	553731242	/nfs/dbraw/zinc/73/12/42/553731242.db2.gz	NVTDXTQTGOWOPS-CQSZACIVSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
CCOc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21	ZINC000096222620	553731241	/nfs/dbraw/zinc/73/12/41/553731241.db2.gz	NVTDXTQTGOWOPS-CQSZACIVSA-N	0	2	506.463	4.131	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096222811	553731249	/nfs/dbraw/zinc/73/12/49/553731249.db2.gz	BEFSJYDSBLFNQS-INIZCTEOSA-N	0	2	515.474	4.231	50	10	biogenic	KICALN
COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000096222812	553731281	/nfs/dbraw/zinc/73/12/81/553731281.db2.gz	BEFSJYDSBLFNQS-MRXNPFEDSA-N	0	2	515.474	4.231	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096222913	553731747	/nfs/dbraw/zinc/73/17/47/553731747.db2.gz	ZGPFHESDMPHHKL-MRXNPFEDSA-N	0	2	522.506	4.298	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096222915	553731666	/nfs/dbraw/zinc/73/16/66/553731666.db2.gz	ZGPFHESDMPHHKL-INIZCTEOSA-N	0	2	522.506	4.298	50	10	biogenic	KICALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c32)C1=O	ZINC000097944459	553769660	/nfs/dbraw/zinc/76/96/60/553769660.db2.gz	XEFSEOPFNSXFCZ-YBEGLDIGSA-N	0	2	539.729	4.364	50	10		KICALN
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000097947756	553788675	/nfs/dbraw/zinc/78/86/75/553788675.db2.gz	YWAXALCWOCNRPE-QGOAFFKASA-N	0	2	548.668	4.313	50	10		KICALN
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)cc1	ZINC000097960522	553871975	/nfs/dbraw/zinc/87/19/75/553871975.db2.gz	LDNAMOWXNKVDLY-WUXMJOGZSA-N	0	2	574.112	4.417	50	10		KICALN
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)c1	ZINC000097960531	553872271	/nfs/dbraw/zinc/87/22/71/553872271.db2.gz	DCNDBXFJHSOILO-ZSOIEALJSA-N	0	2	552.321	4.310	50	10		KICALN
CCOC(=O)COc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC	ZINC000097960536	553872311	/nfs/dbraw/zinc/87/23/11/553872311.db2.gz	HDTSLBGIQUCEHM-YVLHZVERSA-N	0	2	578.359	4.447	50	10		KICALN
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1	ZINC000097960547	553872346	/nfs/dbraw/zinc/87/23/46/553872346.db2.gz	GGUOXERWCLEHDA-ZROIWOOFSA-N	0	2	525.153	4.148	50	10		KICALN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)c(O)c(I)c1	ZINC000097960561	553872635	/nfs/dbraw/zinc/87/26/35/553872635.db2.gz	ARPAOZIXBFUZSM-VZUCSPMQSA-N	0	2	531.075	4.405	50	10		KICALN
COc1cccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OCC(=O)Nc1ccc(F)cc1	ZINC000097960563	553872727	/nfs/dbraw/zinc/87/27/27/553872727.db2.gz	AXKVJBKBFQNTJK-YBFXNURJSA-N	0	2	533.468	4.087	50	10		KICALN
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000097961093	553875124	/nfs/dbraw/zinc/87/51/24/553875124.db2.gz	JZOHETBJVXEMLL-RGEXLXHISA-N	0	2	540.985	4.037	50	10		KICALN
COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1C=C1C(=O)NC(=O)N(c3ccc(I)cc3)C1=O)OCO2	ZINC000097967054	553913449	/nfs/dbraw/zinc/91/34/49/553913449.db2.gz	VJWAXWHIWJUVMB-JCMHNJIXSA-N	0	2	653.429	4.214	50	10		KICALN
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000097967267	553916377	/nfs/dbraw/zinc/91/63/77/553916377.db2.gz	UYSNGBZFJCENHN-CIAFOILYSA-N	0	2	590.386	4.133	50	10		KICALN
COc1ccc(C=C2C(=O)NC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000097967330	553917242	/nfs/dbraw/zinc/91/72/42/553917242.db2.gz	WBJDQWLBWYVRNM-QRVIBDJDSA-N	0	2	575.574	4.129	50	10		KICALN
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000097967547	553920211	/nfs/dbraw/zinc/92/02/11/553920211.db2.gz	OPRYQQXZDARNBK-BKUYFWCQSA-N	0	2	560.360	4.125	50	10		KICALN
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O	ZINC000097968827	553934585	/nfs/dbraw/zinc/93/45/85/553934585.db2.gz	JBJLCKKRGZERTK-RGEXLXHISA-N	0	2	560.704	4.183	50	10		KICALN
COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000097969137	553937110	/nfs/dbraw/zinc/93/71/10/553937110.db2.gz	NYDUZEGUNDLYEX-CIAFOILYSA-N	0	2	545.935	4.024	50	10		KICALN
COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000097971838	553963122	/nfs/dbraw/zinc/96/31/22/553963122.db2.gz	BTENIZLVUHQZGI-MRXNPFEDSA-N	0	2	552.532	4.479	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000097971839	553963088	/nfs/dbraw/zinc/96/30/88/553963088.db2.gz	BTENIZLVUHQZGI-INIZCTEOSA-N	0	2	552.532	4.479	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000097971890	553963613	/nfs/dbraw/zinc/96/36/13/553963613.db2.gz	CXUMQSSTQASROS-AWEZNQCLSA-N	0	2	530.432	4.284	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000097971891	553963925	/nfs/dbraw/zinc/96/39/25/553963925.db2.gz	CXUMQSSTQASROS-CQSZACIVSA-N	0	2	530.432	4.284	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cccc(Br)c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000097971975	553964669	/nfs/dbraw/zinc/96/46/69/553964669.db2.gz	RXQLQIBQSKJXCV-AWEZNQCLSA-N	0	2	543.322	4.446	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cccc(Br)c1)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000097971976	553964604	/nfs/dbraw/zinc/96/46/04/553964604.db2.gz	RXQLQIBQSKJXCV-CQSZACIVSA-N	0	2	543.322	4.446	50	10	biogenic	KICALN
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000100148922	554231000	/nfs/dbraw/zinc/23/10/00/554231000.db2.gz	CSSZXXCQHPKPNV-PDGQHHTCSA-N	0	2	518.418	4.425	50	10		KICALN
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000100148926	554230932	/nfs/dbraw/zinc/23/09/32/554230932.db2.gz	CSSZXXCQHPKPNV-LDADJPATSA-N	0	2	518.418	4.425	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O	ZINC000100164336	554235789	/nfs/dbraw/zinc/23/57/89/554235789.db2.gz	KQUVPCYWWBSJFT-GHXNOFRVSA-N	0	2	516.573	4.431	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O	ZINC000100164555	554235774	/nfs/dbraw/zinc/23/57/74/554235774.db2.gz	DKBNRQQMONMAKD-SDQBBNPISA-N	0	2	516.573	4.431	50	10		KICALN
CNc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I	ZINC000100192573	554245109	/nfs/dbraw/zinc/24/51/09/554245109.db2.gz	DOGSEOOQFSCNJH-VGOFMYFVSA-N	0	2	601.182	4.221	50	10		KICALN
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000100192767	554245091	/nfs/dbraw/zinc/24/50/91/554245091.db2.gz	PKZYUCQQTDXKGK-ZSOIEALJSA-N	0	2	526.714	4.018	50	10		KICALN
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)cc(I)c1O	ZINC000100194508	554245714	/nfs/dbraw/zinc/24/57/14/554245714.db2.gz	MDLOSUCVSDWXSU-LFYBBSHMSA-N	0	2	608.049	4.353	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1OC	ZINC000100229033	554254483	/nfs/dbraw/zinc/25/44/83/554254483.db2.gz	IKPZLUBFSHKLDN-XLNRJJMWSA-N	0	2	532.549	4.227	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000100229237	554254625	/nfs/dbraw/zinc/25/46/25/554254625.db2.gz	JFZSQRCHYJVIAH-KQWNVCNZSA-N	0	2	531.521	4.426	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000100229246	554254580	/nfs/dbraw/zinc/25/45/80/554254580.db2.gz	ITYCKYFJUCQUDO-KQWNVCNZSA-N	0	2	531.521	4.426	50	10		KICALN
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000100229253	554254680	/nfs/dbraw/zinc/25/46/80/554254680.db2.gz	BRLJVBDSQLYYDT-KQWNVCNZSA-N	0	2	547.520	4.126	50	10		KICALN
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1	ZINC000100241274	554260266	/nfs/dbraw/zinc/26/02/66/554260266.db2.gz	JSNFVWDUZAZYEC-XYGWBWBKSA-N	0	2	529.549	4.298	50	10		KICALN
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1	ZINC000100272914	554270677	/nfs/dbraw/zinc/27/06/77/554270677.db2.gz	YQOJKTFMYNMUKF-RCCKNPSSSA-N	0	2	524.327	4.277	50	10		KICALN
COc1c(I)cc(I)cc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O	ZINC000100282010	554277015	/nfs/dbraw/zinc/27/70/15/554277015.db2.gz	HOVRFJDTZZESFP-QPEQYQDCSA-N	0	2	580.547	4.019	50	10		KICALN
O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O	ZINC000100282229	554277044	/nfs/dbraw/zinc/27/70/44/554277044.db2.gz	ZOKKOVKAINSRMZ-SDQBBNPISA-N	0	2	516.971	4.141	50	10		KICALN
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O	ZINC000100291831	554284461	/nfs/dbraw/zinc/28/44/61/554284461.db2.gz	SZXBEEKUKKUKNR-MTJSOVHGSA-N	0	2	549.461	4.177	50	10		KICALN
COc1c(I)cc(I)cc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O	ZINC000100464912	554397690	/nfs/dbraw/zinc/39/76/90/554397690.db2.gz	SVWIHVJGQHWUJQ-MLPAPPSSSA-N	0	2	580.547	4.019	50	10		KICALN
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC	ZINC000100658818	554438214	/nfs/dbraw/zinc/43/82/14/554438214.db2.gz	NQHNPPGPKRZZEZ-RIYZIHGNSA-N	0	2	526.714	4.018	50	10		KICALN
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1O	ZINC000100713203	554454559	/nfs/dbraw/zinc/45/45/59/554454559.db2.gz	SIHQENRKBFCMJS-ONNFQVAWSA-N	0	2	566.657	4.344	50	10		KICALN
Cc1c(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)oc2c1cc1c3c2CCCN3CCC1	ZINC000100745678	554464196	/nfs/dbraw/zinc/46/41/96/554464196.db2.gz	RIBDYOHTAQEBRP-BKUYFWCQSA-N	0	2	537.494	4.485	50	10	biogenic	KICALN
O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000101000074	554552187	/nfs/dbraw/zinc/55/21/87/554552187.db2.gz	CMCQLYZXEZDGQX-BOPFTXTBSA-N	0	2	551.096	4.437	50	10		KICALN
COc1ccc(S(=O)(=O)Nc2cc([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)cc1[N+](=O)[O-]	ZINC000101028115	554564297	/nfs/dbraw/zinc/56/42/97/554564297.db2.gz	RPOAYPCQMNBHMQ-FQEVSTJZSA-N	0	2	570.498	4.430	50	10		KICALN
COc1ccc(S(=O)(=O)Nc2cc([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)cc1[N+](=O)[O-]	ZINC000101028117	554564330	/nfs/dbraw/zinc/56/43/30/554564330.db2.gz	RPOAYPCQMNBHMQ-HXUWFJFHSA-N	0	2	570.498	4.430	50	10		KICALN
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccn4)c(OC)c3)C2=O)cc1	ZINC000101090268	554581691	/nfs/dbraw/zinc/58/16/91/554581691.db2.gz	WKEBQNFBDCDQQC-YBFXNURJSA-N	0	2	538.354	4.107	50	10		KICALN
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000101114460	554642606	/nfs/dbraw/zinc/64/26/06/554642606.db2.gz	VJKODICNHAENDR-FYJGNVAPSA-N	0	2	541.431	4.375	50	10		KICALN
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(OC)c(Cl)c4)N=C3C)cc2)s1	ZINC000101128390	554646671	/nfs/dbraw/zinc/64/66/71/554646671.db2.gz	VWHDODKSXKUAMK-SFQUDFHCSA-N	0	2	533.035	4.282	50	10		KICALN
COc1ccc(C[NH+]2CCN(c3cc(NCCC(=O)[O-])c4c5c3noc5-c3ccccc3C4=O)CC2)c(OC)c1OC	ZINC000101218288	554685285	/nfs/dbraw/zinc/68/52/85/554685285.db2.gz	GZZDXNMEUANXPL-UHFFFAOYSA-N	0	2	572.618	4.274	50	10		KICALN
COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)[nH]c3S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000101291137	554708209	/nfs/dbraw/zinc/70/82/09/554708209.db2.gz	XQDGGDAEEDXEGZ-UHFFFAOYSA-N	0	2	548.690	4.359	50	10		KICALN
COc1ccc(N2CCN(C(=O)CSc3[nH]c(-c4ccccc4)nc3S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000101291137	554708208	/nfs/dbraw/zinc/70/82/08/554708208.db2.gz	XQDGGDAEEDXEGZ-UHFFFAOYSA-N	0	2	548.690	4.359	50	10		KICALN
COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000101350246	554738127	/nfs/dbraw/zinc/73/81/27/554738127.db2.gz	DVENEPNQGVCFTA-XMHGGMMESA-N	0	2	540.985	4.037	50	10		KICALN
CCN(CCc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)[nH]c2ccccc21)C(C)=O	ZINC000101368789	554744404	/nfs/dbraw/zinc/74/44/04/554744404.db2.gz	NUYWYENEAPRYNX-XSFVSMFZSA-N	0	2	523.387	4.008	50	10		KICALN
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1	ZINC000101450702	554775414	/nfs/dbraw/zinc/77/54/14/554775414.db2.gz	GBWUASNCQXRMOT-STZFKDTASA-N	0	2	582.363	4.490	50	10		KICALN
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(O)c(Br)c2O)N3)C1	ZINC000102080006	554875767	/nfs/dbraw/zinc/87/57/67/554875767.db2.gz	FYRXANGHODKITE-HNNXBMFYSA-N	0	2	547.225	4.053	50	10		KICALN
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(O)c(Br)c2O)N3)C1	ZINC000102080010	554875755	/nfs/dbraw/zinc/87/57/55/554875755.db2.gz	FYRXANGHODKITE-OAHLLOKOSA-N	0	2	547.225	4.053	50	10		KICALN
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc2)nn1	ZINC000102579615	554972019	/nfs/dbraw/zinc/97/20/19/554972019.db2.gz	GNSDQDOHIGGKQI-RGEXLXHISA-N	0	2	590.108	4.169	50	10		KICALN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000102732190	555024132	/nfs/dbraw/zinc/02/41/32/555024132.db2.gz	SEKXHFOHRWWZLY-PCCBWWKXSA-N	0	2	510.300	4.114	50	10		KICALN
CCOc1cc2[nH]c(=S)n(CCCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC	ZINC000102756776	555049752	/nfs/dbraw/zinc/04/97/52/555049752.db2.gz	NTHYFDFNLKDIOC-UHFFFAOYSA-N	0	2	540.686	4.384	50	10		KICALN
CCCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000103128583	555296787	/nfs/dbraw/zinc/29/67/87/555296787.db2.gz	ANTXHJKQHYHQFI-BOPFTXTBSA-N	0	2	534.350	4.454	50	10		KICALN
O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cl	ZINC000103247606	555343683	/nfs/dbraw/zinc/34/36/83/555343683.db2.gz	VELYBJMVDULBAO-UDWIEESQSA-N	0	2	535.343	4.368	50	10		KICALN
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000103255444	555345432	/nfs/dbraw/zinc/34/54/32/555345432.db2.gz	BQFGMSOEVZXLQY-DEDYPNTBSA-N	0	2	531.377	4.373	50	10		KICALN
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(Cl)c(OC)c4)N=C3C)cc2)s1	ZINC000103646312	555460720	/nfs/dbraw/zinc/46/07/20/555460720.db2.gz	SZDILFPMAGGGBT-SFQUDFHCSA-N	0	2	533.035	4.282	50	10		KICALN
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br	ZINC000103704629	555464093	/nfs/dbraw/zinc/46/40/93/555464093.db2.gz	DJWJJTVHZRWGMS-OVCLIPMQSA-N	0	2	521.751	4.019	50	10		KICALN
CCc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1	ZINC000103747886	555466908	/nfs/dbraw/zinc/46/69/08/555466908.db2.gz	PTVQPHPDSPDXHB-RCCKNPSSSA-N	0	2	520.592	4.228	50	10		KICALN
O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl	ZINC000103861446	571367575	/nfs/dbraw/zinc/36/75/75/571367575.db2.gz	ZOUNHZKYWFQBES-UDWIEESQSA-N	0	2	535.343	4.368	50	10		KICALN
Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1	ZINC000103861448	571367531	/nfs/dbraw/zinc/36/75/31/571367531.db2.gz	IVXUKXVOMKSHNJ-FYJGNVAPSA-N	0	2	514.925	4.023	50	10		KICALN
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC	ZINC000107061401	571419650	/nfs/dbraw/zinc/41/96/50/571419650.db2.gz	XUUGSURDDRZWJO-WQLSENKSSA-N	0	2	526.714	4.018	50	10		KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@H](c1cc(Cl)cc3c1OCOC3)CC(=O)O2	ZINC000108448004	571424032	/nfs/dbraw/zinc/42/40/32/571424032.db2.gz	MFKONQFDLJACHR-ZDUSSCGKSA-N	0	2	524.865	4.243	50	10	biogenic	KICALN
O=C1C[C@@H](c2cc(Cl)cc3c2OCOC3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000108448004	571424031	/nfs/dbraw/zinc/42/40/31/571424031.db2.gz	MFKONQFDLJACHR-ZDUSSCGKSA-N	0	2	524.865	4.243	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@@H](c1cc(Cl)cc3c1OCOC3)CC(=O)O2	ZINC000108448007	571424025	/nfs/dbraw/zinc/42/40/25/571424025.db2.gz	MFKONQFDLJACHR-CYBMUJFWSA-N	0	2	524.865	4.243	50	10	biogenic	KICALN
O=C1C[C@H](c2cc(Cl)cc3c2OCOC3)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000108448007	571424023	/nfs/dbraw/zinc/42/40/23/571424023.db2.gz	MFKONQFDLJACHR-CYBMUJFWSA-N	0	2	524.865	4.243	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000108448088	571424118	/nfs/dbraw/zinc/42/41/18/571424118.db2.gz	TYCOEQFOQHAEHX-SFHVURJKSA-N	0	2	543.528	4.132	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000108448090	571424098	/nfs/dbraw/zinc/42/40/98/571424098.db2.gz	TYCOEQFOQHAEHX-GOSISDBHSA-N	0	2	543.528	4.132	50	10	biogenic	KICALN
COC(=O)C[C@H](c1cc(Br)cc2c1OCOC2)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000108449281	571424644	/nfs/dbraw/zinc/42/46/44/571424644.db2.gz	YOOQDWZLYWEYTA-CQSZACIVSA-N	0	2	601.358	4.312	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1cc(Br)cc2c1OCOC2)c1c(=O)cc(O)c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2	ZINC000108449284	571424738	/nfs/dbraw/zinc/42/47/38/571424738.db2.gz	YOOQDWZLYWEYTA-AWEZNQCLSA-N	0	2	601.358	4.312	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2	ZINC000108449371	571424754	/nfs/dbraw/zinc/42/47/54/571424754.db2.gz	FXSKEQJUZIGCJU-LBPRGKRZSA-N	0	2	534.860	4.483	50	10	biogenic	KICALN
O=C1C[C@@H](c2coc3ccc(Cl)cc3c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000108449371	571424753	/nfs/dbraw/zinc/42/47/53/571424753.db2.gz	FXSKEQJUZIGCJU-LBPRGKRZSA-N	0	2	534.860	4.483	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@@H](c1coc3ccc(Cl)cc3c1=O)CC(=O)O2	ZINC000108449373	571424702	/nfs/dbraw/zinc/42/47/02/571424702.db2.gz	FXSKEQJUZIGCJU-GFCCVEGCSA-N	0	2	534.860	4.483	50	10	biogenic	KICALN
O=C1C[C@H](c2coc3ccc(Cl)cc3c2=O)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000108449373	571424700	/nfs/dbraw/zinc/42/47/00/571424700.db2.gz	FXSKEQJUZIGCJU-GFCCVEGCSA-N	0	2	534.860	4.483	50	10	biogenic	KICALN
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000108450107	571425209	/nfs/dbraw/zinc/42/52/09/571425209.db2.gz	OSBPJMJOMFIWDL-INIZCTEOSA-N	0	2	530.485	4.387	50	10	biogenic	KICALN
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000108450109	571425129	/nfs/dbraw/zinc/42/51/29/571425129.db2.gz	OSBPJMJOMFIWDL-MRXNPFEDSA-N	0	2	530.485	4.387	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2	ZINC000108450277	571425173	/nfs/dbraw/zinc/42/51/73/571425173.db2.gz	IKUVUITZQQGDKG-INIZCTEOSA-N	0	2	526.457	4.306	50	10	biogenic	KICALN
O=C1C[C@@H](c2cccc(Oc3ncccn3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000108450277	571425171	/nfs/dbraw/zinc/42/51/71/571425171.db2.gz	IKUVUITZQQGDKG-INIZCTEOSA-N	0	2	526.457	4.306	50	10	biogenic	KICALN
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c(O)c1-3)[C@@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2	ZINC000108450279	571425123	/nfs/dbraw/zinc/42/51/23/571425123.db2.gz	IKUVUITZQQGDKG-MRXNPFEDSA-N	0	2	526.457	4.306	50	10	biogenic	KICALN
O=C1C[C@H](c2cccc(Oc3ncccn3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1	ZINC000108450279	571425121	/nfs/dbraw/zinc/42/51/21/571425121.db2.gz	IKUVUITZQQGDKG-MRXNPFEDSA-N	0	2	526.457	4.306	50	10	biogenic	KICALN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3O)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000137791178	571450721	/nfs/dbraw/zinc/45/07/21/571450721.db2.gz	SEKXHFOHRWWZLY-PWRODBHTSA-N	0	2	510.300	4.114	50	10		KICALN
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1	ZINC000150346742	571460711	/nfs/dbraw/zinc/46/07/11/571460711.db2.gz	HEDYSQFXIPUIKB-NYYWCZLTSA-N	0	2	638.981	4.030	50	10		KICALN
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(I)c(O)c(I)c1	ZINC000150383827	571468022	/nfs/dbraw/zinc/46/80/22/571468022.db2.gz	CCQAHFPZPIUJAL-WCIBSUBMSA-N	0	2	655.049	4.195	50	10		KICALN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000150441125	571498199	/nfs/dbraw/zinc/49/81/99/571498199.db2.gz	KNKIBWMKGWSLMT-IYVASWNSSA-N	0	2	644.588	4.433	50	10		KICALN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000150441131	571498190	/nfs/dbraw/zinc/49/81/90/571498190.db2.gz	KNKIBWMKGWSLMT-ORVZPOCUSA-N	0	2	644.588	4.433	50	10		KICALN
COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O	ZINC000150572787	571521273	/nfs/dbraw/zinc/52/12/73/571521273.db2.gz	RFXNIXZQKLUECD-NTUHNPAUSA-N	0	2	624.998	4.128	50	10		KICALN
CCOC(=O)[C@H](C(=O)C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000150670302	571528784	/nfs/dbraw/zinc/52/87/84/571528784.db2.gz	DKYPNRIAYRRYDA-IBGZPJMESA-N	0	2	624.350	4.006	50	10		KICALN
CCOC(=O)[C@@H](C(=O)C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000150670303	571528731	/nfs/dbraw/zinc/52/87/31/571528731.db2.gz	DKYPNRIAYRRYDA-LJQANCHMSA-N	0	2	624.350	4.006	50	10		KICALN
O=C1N[C@H](c2cc(Br)cc(Br)c2O)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1	ZINC000169616050	571553644	/nfs/dbraw/zinc/55/36/44/571553644.db2.gz	ROUBDRPGGXHHPB-AHIWAGSCSA-N	0	2	538.114	4.021	50	10		KICALN
O=C(C[C@H](c1cc(F)c(F)c(F)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1	ZINC000217607041	571601748	/nfs/dbraw/zinc/60/17/48/571601748.db2.gz	SSLMXOZICQQYOO-MRXNPFEDSA-N	0	2	541.478	4.375	50	10		KICALN
O=C(C[C@@H](c1cc(F)c(F)c(F)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1	ZINC000217607116	571601801	/nfs/dbraw/zinc/60/18/01/571601801.db2.gz	SSLMXOZICQQYOO-INIZCTEOSA-N	0	2	541.478	4.375	50	10		KICALN
O=C(C[C@H](c1ccc(F)c(F)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1	ZINC000217649083	571601971	/nfs/dbraw/zinc/60/19/71/571601971.db2.gz	TYDYARHPNDZOJZ-QGZVFWFLSA-N	0	2	523.488	4.236	50	10		KICALN
O=C(C[C@@H](c1ccc(F)c(F)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1	ZINC000217649166	571601978	/nfs/dbraw/zinc/60/19/78/571601978.db2.gz	TYDYARHPNDZOJZ-KRWDZBQOSA-N	0	2	523.488	4.236	50	10		KICALN
COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1oc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O	ZINC000253399692	572284905	/nfs/dbraw/zinc/28/49/05/572284905.db2.gz	DFIVVTIHYVNSBX-RUZDIDTESA-N	0	2	588.613	4.329	50	10		KICALN
COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)c1oc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O	ZINC000253399698	572284804	/nfs/dbraw/zinc/28/48/04/572284804.db2.gz	DFIVVTIHYVNSBX-VWLOTQADSA-N	0	2	588.613	4.329	50	10		KICALN
COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1oc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O	ZINC000253413328	572288520	/nfs/dbraw/zinc/28/85/20/572288520.db2.gz	UMZXTLROWBYUHW-RUZDIDTESA-N	0	2	588.613	4.329	50	10		KICALN
COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1oc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O	ZINC000253413329	572288516	/nfs/dbraw/zinc/28/85/16/572288516.db2.gz	UMZXTLROWBYUHW-VWLOTQADSA-N	0	2	588.613	4.329	50	10		KICALN