smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001205323	551624458	/nfs/dbraw/zinc/62/44/58/551624458.db2.gz	VJNOCBLGWQRURT-UHFFFAOYSA-N	-1	1	523.239	2.536	50	10		KFCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001205323	551624455	/nfs/dbraw/zinc/62/44/55/551624455.db2.gz	VJNOCBLGWQRURT-UHFFFAOYSA-N	-1	1	523.239	2.536	50	10		KFCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000002931943	552226150	/nfs/dbraw/zinc/22/61/50/552226150.db2.gz	YCFWXOSYFXCRAS-UHFFFAOYSA-N	-1	1	539.307	2.701	50	10		KFCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000002948754	552228466	/nfs/dbraw/zinc/22/84/66/552228466.db2.gz	OIQACNVKOZBGGC-UHFFFAOYSA-N	-1	1	509.334	2.673	50	10		KFCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000002948754	552228463	/nfs/dbraw/zinc/22/84/63/552228463.db2.gz	OIQACNVKOZBGGC-UHFFFAOYSA-N	-1	1	509.334	2.673	50	10		KFCAMM
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)CC1	ZINC000008872586	553173801	/nfs/dbraw/zinc/17/38/01/553173801.db2.gz	FZKBCWAKHUMGSV-MNDPQUGUSA-N	-1	1	529.688	2.991	50	10		KFCAMM
CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)CC1	ZINC000008872588	553173806	/nfs/dbraw/zinc/17/38/06/553173806.db2.gz	OHWXCXPIYYSYJB-CYVLTUHYSA-N	-1	1	529.688	2.991	50	10		KFCAMM
COc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000009553582	553278492	/nfs/dbraw/zinc/27/84/92/553278492.db2.gz	CRNRHVPWUVIQEC-UHFFFAOYSA-N	-1	1	507.362	2.838	50	10		KFCAMM
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)CC1	ZINC000016728959	553575406	/nfs/dbraw/zinc/57/54/06/553575406.db2.gz	BGAQJXBBFRWRNC-VLGSPTGOSA-N	-1	1	515.661	2.683	50	10		KFCAMM
COc1ccc(N2CCN(CCCNC(=O)CCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)cc1	ZINC000020644456	553684663	/nfs/dbraw/zinc/68/46/63/553684663.db2.gz	UHIOUDLCXFIERX-UHFFFAOYSA-N	-1	1	525.631	2.515	50	10		KFCAMM
CCOC(=O)COc1c(I)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OCC	ZINC000033333064	553921074	/nfs/dbraw/zinc/92/10/74/553921074.db2.gz	USOPJMJGCWRADI-WDZFZDKYSA-N	-1	1	518.329	2.729	50	10		KFCAMM
COc1c(I)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000033355313	553934172	/nfs/dbraw/zinc/93/41/72/553934172.db2.gz	YSZMQABPBSZHSB-UHFFFAOYSA-N	-1	1	514.082	2.659	50	10		KFCAMM
COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000033355313	553934169	/nfs/dbraw/zinc/93/41/69/553934169.db2.gz	YSZMQABPBSZHSB-UHFFFAOYSA-N	-1	1	514.082	2.659	50	10		KFCAMM
COc1c(I)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000033355313	553934166	/nfs/dbraw/zinc/93/41/66/553934166.db2.gz	YSZMQABPBSZHSB-UHFFFAOYSA-N	-1	1	514.082	2.659	50	10		KFCAMM
NC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096221137	553730263	/nfs/dbraw/zinc/73/02/63/553730263.db2.gz	IXMRVIBHYUCERV-AWEZNQCLSA-N	-1	1	505.435	2.588	50	10	biogenic	KFCAMM
NC(=O)COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096221138	553730170	/nfs/dbraw/zinc/73/01/70/553730170.db2.gz	IXMRVIBHYUCERV-CQSZACIVSA-N	-1	1	505.435	2.588	50	10	biogenic	KFCAMM
Cn1c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)cc2n(C)c1=O	ZINC000096221847	553730959	/nfs/dbraw/zinc/73/09/59/553730959.db2.gz	WSYVLGSHJXBAMJ-ZDUSSCGKSA-N	-1	1	516.462	2.914	50	10	biogenic	KFCAMM
Cn1c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)cc2n(C)c1=O	ZINC000096221848	553730820	/nfs/dbraw/zinc/73/08/20/553730820.db2.gz	WSYVLGSHJXBAMJ-CYBMUJFWSA-N	-1	1	516.462	2.914	50	10	biogenic	KFCAMM
CCCOc1c(I)cc(I)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000100164528	554235839	/nfs/dbraw/zinc/23/58/39/554235839.db2.gz	SZELZVKRYRFZBN-UHFFFAOYSA-N	-1	1	542.136	2.599	50	10		KFCAMM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000100165897	554236513	/nfs/dbraw/zinc/23/65/13/554236513.db2.gz	ZFQPFZMSDBEHSF-UNOMPAQXSA-N	-1	1	530.356	2.995	50	10		KFCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(=O)c1ccc(OC)cc1	ZINC000100648440	554436891	/nfs/dbraw/zinc/43/68/91/554436891.db2.gz	KAKNNLWIVRDYOI-UHFFFAOYSA-N	-1	1	536.278	2.667	50	10		KFCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(=O)c1ccc(OC)cc1	ZINC000100648440	554436886	/nfs/dbraw/zinc/43/68/86/554436886.db2.gz	KAKNNLWIVRDYOI-UHFFFAOYSA-N	-1	1	536.278	2.667	50	10		KFCAMM
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12	ZINC000100729693	554459302	/nfs/dbraw/zinc/45/93/02/554459302.db2.gz	IVPAUGUGOKHLTA-ZHZULCJRSA-N	-1	1	535.651	2.611	50	10		KFCAMM
O=C([O-])CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S	ZINC000100761618	554467839	/nfs/dbraw/zinc/46/78/39/554467839.db2.gz	IPTIRIMAMWZYGE-SILNSSARSA-N	-1	1	535.651	2.693	50	10		KFCAMM
CCCCCCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101375229	554746450	/nfs/dbraw/zinc/74/64/50/554746450.db2.gz	LKAVKKQHLVNHLM-WEIUTZTHSA-N	-1	1	566.684	2.779	50	10		KFCAMM
CCCCCCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000101375233	554746414	/nfs/dbraw/zinc/74/64/14/554746414.db2.gz	LKAVKKQHLVNHLM-HCUHUEOSSA-N	-1	1	566.684	2.779	50	10		KFCAMM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCCN1CCN(c3ccc(OC)cc3)CC1)c2=O	ZINC000101623371	554810765	/nfs/dbraw/zinc/81/07/65/554810765.db2.gz	KFBMNIAYAMKTCT-UHFFFAOYSA-N	-1	1	539.658	2.573	50	10		KFCAMM
O=C(COC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)Nc1ccc2c(c1)OCCO2	ZINC000102932151	555159703	/nfs/dbraw/zinc/15/97/03/555159703.db2.gz	FAVKLFLUJMLQID-UHFFFAOYSA-N	-1	1	529.483	2.668	50	10		KFCAMM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000106273332	571411771	/nfs/dbraw/zinc/41/17/71/571411771.db2.gz	UHXTWIRWTUYTDS-BOPFTXTBSA-N	-1	1	528.306	2.951	50	10		KFCAMM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000106273332	571411770	/nfs/dbraw/zinc/41/17/70/571411770.db2.gz	UHXTWIRWTUYTDS-BOPFTXTBSA-N	-1	1	528.306	2.951	50	10		KFCAMM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000106273336	571411764	/nfs/dbraw/zinc/41/17/64/571411764.db2.gz	UHXTWIRWTUYTDS-GZTJUZNOSA-N	-1	1	528.306	2.951	50	10		KFCAMM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O	ZINC000106273336	571411763	/nfs/dbraw/zinc/41/17/63/571411763.db2.gz	UHXTWIRWTUYTDS-GZTJUZNOSA-N	-1	1	528.306	2.951	50	10		KFCAMM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-]	ZINC000107730553	571421056	/nfs/dbraw/zinc/42/10/56/571421056.db2.gz	WIZOGKJYKBADKU-LFIBNONCSA-N	-1	1	514.279	2.642	50	10		KFCAMM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O	ZINC000107730553	571421055	/nfs/dbraw/zinc/42/10/55/571421055.db2.gz	WIZOGKJYKBADKU-LFIBNONCSA-N	-1	1	514.279	2.642	50	10		KFCAMM
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc1OC	ZINC000206057904	571572318	/nfs/dbraw/zinc/57/23/18/571572318.db2.gz	ONBXQBQCPSOACQ-GOSISDBHSA-N	-1	1	505.527	2.709	50	10		KFCAMM
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc1OC	ZINC000206057932	571572371	/nfs/dbraw/zinc/57/23/71/571572371.db2.gz	ONBXQBQCPSOACQ-SFHVURJKSA-N	-1	1	505.527	2.709	50	10		KFCAMM
COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc(OC)c1OC	ZINC000206060310	571572348	/nfs/dbraw/zinc/57/23/48/571572348.db2.gz	AEKCRZCLQKVMDB-GOSISDBHSA-N	-1	1	535.553	2.718	50	10		KFCAMM
COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)cc(OC)c1OC	ZINC000206060328	571572292	/nfs/dbraw/zinc/57/22/92/571572292.db2.gz	AEKCRZCLQKVMDB-SFHVURJKSA-N	-1	1	535.553	2.718	50	10		KFCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCC(N)=O	ZINC000217904163	1059484638	/nfs/dbraw/zinc/48/46/38/1059484638.db2.gz	MMDTXFBAVDXDRQ-ZDUSSCGKSA-N	-1	1	535.461	2.596	50	10		KFCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OCC(N)=O	ZINC000217904247	1059484686	/nfs/dbraw/zinc/48/46/86/1059484686.db2.gz	MMDTXFBAVDXDRQ-CYBMUJFWSA-N	-1	1	535.461	2.596	50	10		KFCAMM
C[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12	ZINC000245241982	572216666	/nfs/dbraw/zinc/21/66/66/572216666.db2.gz	VPHGNASNUHAYHV-QBRYNYCPSA-N	-1	1	654.757	2.799	50	10		KFCAMM
Cn1c([O-])c(C=C/C=C2\CCCC(C=CC=C3C(=O)N(C)C(=O)N(C)C3=O)=C2c2ccccc2)c(=O)n(C)c1=O	ZINC000685944572	1059042503	/nfs/dbraw/zinc/04/25/03/1059042503.db2.gz	NOFUZCQPOBXSFW-HTKGVCFRSA-N	-1	1	542.592	2.900	50	10		KFCAMM
Cn1c([O-])c(C=CC=C2CCCC(C=CC=C3C(=O)N(C)C(=O)N(C)C3=O)=C2c2ccccc2)c(=O)n(C)c1=O	ZINC000685944572	1059042484	/nfs/dbraw/zinc/04/24/84/1059042484.db2.gz	NOFUZCQPOBXSFW-HTKGVCFRSA-N	-1	1	542.592	2.900	50	10		KFCAMM
Cn1c([O-])c(C=C/C=C2\CCC(C=CC=C3C(=O)N(C)C(=O)N(C)C3=O)=C2c2ccccc2)c(=O)n(C)c1=O	ZINC000685944797	1059042556	/nfs/dbraw/zinc/04/25/56/1059042556.db2.gz	YTULQZFZHITFEX-GFKWAOBWSA-N	-1	1	528.565	2.510	50	10		KFCAMM