smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1c(F)cccc1Cl)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1	ZINC000096310002	557776989	/nfs/dbraw/zinc/77/69/89/557776989.db2.gz	KKLPGAXSCKIGBM-QHCPKHFHSA-N	1	0	441.938	4.266	10	30		IIEERO
FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]Cc3ccc(C#Cc4cncnc4)cc3)C2)nc1	ZINC000015074180	568828059	/nfs/dbraw/zinc/82/80/59/568828059.db2.gz	CVVDLZANZXAHJU-QFIPXVFZSA-N	1	0	437.469	4.049	10	30		IIEERO
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C	ZINC000035644757	520850610	/nfs/dbraw/zinc/85/06/10/520850610.db2.gz	CLEXYFLHGFJONT-GALJPUFLSA-N	1	0	425.613	4.181	10	30	in-vitro	IIEERO
CC(C)(C)NC1=[NH+]c2ncccc2N[C@@]12CCCN(C(=O)Cc1c[nH]c3ccccc13)C2	ZINC000097123458	557832497	/nfs/dbraw/zinc/83/24/97/557832497.db2.gz	FUFQAEKCYNZPAZ-RUZDIDTESA-N	1	0	430.556	4.201	10	30		IIEERO
CC(C)(C)NC1=[NH+]c2ncccc2N[C@]12CCCN(C(=O)Cc1c[nH]c3ccccc13)C2	ZINC000097123461	557832509	/nfs/dbraw/zinc/83/25/09/557832509.db2.gz	FUFQAEKCYNZPAZ-VWLOTQADSA-N	1	0	430.556	4.201	10	30		IIEERO
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@@H](C)C[NH2+][C@@H]1[C@H]2C	ZINC000035644746	520849724	/nfs/dbraw/zinc/84/97/24/520849724.db2.gz	CLEXYFLHGFJONT-NPRPUFCQSA-N	1	0	425.613	4.181	10	30	in-vitro	IIEERO
C[N@@H+]1CC[C@@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1	ZINC000008816535	556218065	/nfs/dbraw/zinc/21/80/65/556218065.db2.gz	MPFKWZDOHQBWFL-WPMOTLGCSA-N	1	0	441.531	4.418	10	30		IIEERO
O=C(Cc1c(F)cccc1Cl)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1	ZINC000096310001	527197823	/nfs/dbraw/zinc/19/78/23/527197823.db2.gz	KKLPGAXSCKIGBM-HSZRJFAPSA-N	1	0	441.938	4.266	10	30		IIEERO
C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687767	557848172	/nfs/dbraw/zinc/84/81/72/557848172.db2.gz	UVCZBQKGSYAGJD-XPOCMEGTSA-N	1	0	444.660	4.147	10	30		IIEERO
C=CCOC[C@H](O)C[N@@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccccc1	ZINC000036147733	518990792	/nfs/dbraw/zinc/99/07/92/518990792.db2.gz	CFFCPQCQEQEPTO-OAQYLSRUSA-N	1	0	441.959	4.307	10	30		IIEERO
N#Cc1ccc2[nH]cc(CCCC[NH+]3CCN(c4ccc5oc(=O)ccc5c4)CC3)c2c1	ZINC000001546681	562922754	/nfs/dbraw/zinc/92/27/54/562922754.db2.gz	JYRQRDDPHJEJCJ-UHFFFAOYSA-N	1	0	426.520	4.291	10	30		IIEERO
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C	ZINC000035644750	520849980	/nfs/dbraw/zinc/84/99/80/520849980.db2.gz	CLEXYFLHGFJONT-UFMJNDRCSA-N	1	0	425.613	4.181	10	30	in-vitro	IIEERO
CC#CCN1C(=O)N[C@](CCCc2ccccc2)(C2CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O	ZINC000014882533	519339866	/nfs/dbraw/zinc/33/98/66/519339866.db2.gz	YJIFPUYQZRBLSP-RBJSKKJNSA-N	1	0	447.623	4.392	10	30		IIEERO
CC(C)(O)C#Cc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cc1	ZINC000012429858	562982133	/nfs/dbraw/zinc/98/21/33/562982133.db2.gz	UJUOZKJMZJQSQR-DPPGTGKWSA-N	1	0	448.994	4.400	10	30		IIEERO
CC1=C2C(=O)[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C	ZINC000033838185	556568814	/nfs/dbraw/zinc/56/88/14/556568814.db2.gz	CLEXYFLHGFJONT-FVEVCPIGSA-N	1	0	425.613	4.181	10	30	in-vitro	IIEERO
FC(F)(F)c1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(C#Cc4cncnc4)cc3)C2)nc1	ZINC000015074179	568828149	/nfs/dbraw/zinc/82/81/49/568828149.db2.gz	CVVDLZANZXAHJU-JOCHJYFZSA-N	1	0	437.469	4.049	10	30		IIEERO
C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687759	557848224	/nfs/dbraw/zinc/84/82/24/557848224.db2.gz	UVCZBQKGSYAGJD-QWEPYURESA-N	1	0	444.660	4.147	10	30		IIEERO
C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687764	557848219	/nfs/dbraw/zinc/84/82/19/557848219.db2.gz	UVCZBQKGSYAGJD-VTMNDVCESA-N	1	0	444.660	4.147	10	30		IIEERO
C[C@@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C/C(=N/O)[C@@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O	ZINC000242687762	557848243	/nfs/dbraw/zinc/84/82/43/557848243.db2.gz	UVCZBQKGSYAGJD-DBYAYCEQSA-N	1	0	444.660	4.147	10	30		IIEERO
C=CCOC[C@@H](O)C[N@@H+](CCc1nc(-c2ccc(C)c(Cl)c2)no1)Cc1ccccc1	ZINC000036147730	518986847	/nfs/dbraw/zinc/98/68/47/518986847.db2.gz	CFFCPQCQEQEPTO-NRFANRHFSA-N	1	0	441.959	4.307	10	30		IIEERO
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@@H](C)C[NH2+][C@H]1[C@H]2C	ZINC000035644754	520850756	/nfs/dbraw/zinc/85/07/56/520850756.db2.gz	CLEXYFLHGFJONT-CNJCNWGNSA-N	1	0	425.613	4.181	10	30	in-vitro	IIEERO